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Sample records for pf shell model

  1. Gamow-Teller Strength Distributions for pf-shell Nuclei and its Implications in Astrophysics

    NASA Astrophysics Data System (ADS)

    Rahman, M.-U.; Nabi, J.-U.

    2009-08-01

    The {pf}-shell nuclei are present in abundance in the pre-supernova and supernova phases and these nuclei are considered to play an important role in the dynamics of core collapse supernovae. The B(GT) values are calculated for the {pf}-shell nuclei 55Co and 57Zn using the pn-QRPA theory. The calculated B(GT) strengths have differences with earlier reported shell model calculations, however, the results are in good agreement with the experimental data. These B(GT) strengths are used in the calculations of weak decay rates which play a decisive role in the core-collapse supernovae dynamics and nucleosynthesis. Unlike previous calculations the so-called Brink's hypothesis is not assumed in the present calculation which leads to a more realistic estimate of weak decay rates. The electron capture rates are calculated over wide grid of temperature ({0.01} × 109 - 30 × 109 K) and density (10-1011 g-cm-3). Our rates are enhanced compared to the reported shell model rates. This enhancement is attributed partly to the liberty of selecting a huge model space, allowing consideration of many more excited states in the present electron capture rates calculations.

  2. 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.

  3. 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.

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

    SciTech Connect

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

    2011-04-15

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

  5. 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.

  6. 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.

  7. 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.

  8. Gamow-Teller Transitions in Proton Rich Exotic pf-shell Nuclei Deduced from Mirror Transitions

    SciTech Connect

    Fujita, Y.; Adachi, T.; Fujita, H.; Blank, B.; Brentano, P. von; Zell, K. O.; Berg, G. P. A.; Fujita, K.; Hatanaka, K.; Nakanishi, K.; Shimizu, Y.; Tameshige, Y.; Tamii, A.; Yosoi, M.; Negret, A.; Popescu, L.; Rubio, B.; Shimbara, Y.

    2010-08-12

    The rp-process nucleosynthesis proceeds through nuclei near the proton drip-line, in which Gamow-Teller (GT) transitions starting from unstable pf-shell nuclei play important roles. In the {beta}-decay study of these nuclei, half-lives can be measured rather accurately. On the other hand, in the high-resolution ({sup 3}He, t) charge-exchange reactions on mirror nuclei, individual GT transitions can be studied up to high excitations. For the accurate study of the GT transition strengths in the A = 52, T = 2, system, we compare and combine the {beta}-decay study of the proton-rich nucleus {sup 52}Ni and the {sup 52}Cr({sup 3}He, t) measurement assuming the isospin symmetry of the T{sub z} = {+-}2{yields}{+-}1 transitions.

  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. PMID:27284653

  10. Gamow-Teller Transitions in Proton-Rich pf-shell Nuclei-relevance to supernovae explosions-

    SciTech Connect

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

    2008-05-21

    Gamow-Teller (GT) transitions starting from unstable pf-shell nuclei play important roles in neutrino-induced reactions that happen under the extremely high temperature conditions in core-collapse (type II) supernovae. In the {beta} decay, it is difficult to obtain GT strengths B(GT) to higher excited states, but accurate half-lives can be measured. On the other hand, high-resolution ({sup 3}He,t) charge-exchange reactions at 0 deg. and at 420 MeV yield cross-sections, that are proportional to B(GT) values, for individual transitions up to high excitation. Assuming isospin symmetry, we performed a unique analysis to determine absolute B(GT) values for the T{sub z} {+-}1{yields}0 analogous GT transitions. Further {beta}-decay studies for unstable pf-shell nuclei to obtain accurate half-lives and feeding ratios are in progress.

  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. Gamow-Teller Transitions and beta-decay Half-life in Proton Rich pf-shell Nuclei

    SciTech Connect

    Fujita, Y.; Adachi, T.; Fujita, H.; Shimbara, Y.; Blank, B.; Brentano, P. von; Zell, K. O.; Berg, G. P. A.; Fujita, K.; Hatanaka, K.; Nakanishi, K.; Shimizu, Y.; Tameshige, Y.; Tamii, A.; Yosoi, M.; Negret, A.; Popescu, L.; Rubio, B.

    2010-06-01

    In violent neutrino-induced reactions at the core-collapse stage of type II supernovae, Gamow-Teller (GT) transitions starting from stable as well as unstable pf-shell nuclei play important roles. In the beta-decay study of these unstable 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} = +-2->+-1 analogous GT transitions, we present a 'merged analysis' for the determination of GT transition strengths starting from proton-rich T{sub z} = -2 nuclei. We applied this analysis to the A = 52, T = 2 system, and it was found that the GT transitions and the properties of the {sup 52}Nibeta decay can be understood better by combining the mirror GT strength distribution obtained from the {sup 52}Cr({sup 3}He,t) reaction.

  14. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1997-08-01

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

  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. 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…

  18. Layzer type models for pressure driven shells

    SciTech Connect

    Hurricane, O A

    2004-09-16

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

  19. 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.

  20. 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

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

    PubMed Central

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

    2014-01-01

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

  2. 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. PMID:25783783

  3. 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.

  4. 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.

  5. 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

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

    PubMed Central

    Kolte, D; Bryant, JW; Gibson, GW; Wang, J; Shariat-Madar, Z

    2016-01-01

    The plasma kallikrein-mediated proteolysis regulates both thrombosis and inflammation. Previous study has shown that PF-04886847 is a potent and competitive inhibitor of kallikrein, suggesting that it might be useful for the treatment of kallikrein-kinin mediated inflammatory and thrombotic disorders. In the rat model of lipopolysaccharide (LPS) -induced sepsis used in this study, pretreatment of rats with PF-04886847 (1 mg/kg) prior to LPS (10 mg/kg) prevented endotoxin-induced increase in granulocyte count in the systemic circulation. PF-04886847 significantly reduced the elevated plasma 6-keto PGF1α levels in LPS treated rats, suggesting that PF-04886847 could be useful in preventing hypotensive shock during sepsis. PF-04886847 did not inhibit LPS-induced increase in plasma TNF-α level. Pretreatment of rats with PF-04886847 prior to LPS did not attenuate endotoxin-induced decrease in platelet count and plasma fibrinogen levels as well as increase in plasma D-dimer levels. PF-04886847 did not protect the animals against LPS-mediated acute hepatic and renal injury and disseminated intravascular coagulation (DIC). Since prekallikrein (the zymogen form of plasma kallikrein) deficient patients have prolonged aPPT without having any bleeding disorder, the anti-thrombotic property and mechanism of action of PF-04886847 was assessed. In a rabbit balloon injury model designed to mimic clinical conditions of acute thrombotic events, PF-04886847 reduced thrombus mass dose-dependently. PF-04886847 (1 mg/kg) prolonged both activated partial thromboplastin time (aPTT) and prothrombin time (PT) in a dose-dependent manner. Although the findings of this study indicate that PF-04886847 possesses limited anti-thrombotic and anti-inflammatory effects, PF-04886847 may have therapeutic potential in other kallikrein-kinin mediated diseases. PMID:22352684

  7. Singular Shell Embedded into a Cosmological Model

    NASA Astrophysics Data System (ADS)

    Grøn, Øyvind; Rippis, Peter D.

    2003-12-01

    We generalize Israel's formalism to cover singular shells embedded in a non-vacuum Universe. That is, we deduce the relativistic equation of motion for a thin shell embedded in a Schwarzschild/Friedmann-Lemaître-Robertson-Walker spacetime. Also, we review the embedding of a Schwarzschild mass into a cosmological model using ``curvature'' coordinates and give solutions with (Sch/FLRW) and without the embedded mass (FLRW).

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

    SciTech Connect

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

    1987-01-01

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

  9. Continuous representation for shell models of turbulence

    NASA Astrophysics Data System (ADS)

    Mailybaev, Alexei A.

    2015-07-01

    In this work we construct and analyze continuous hydrodynamic models in one space dimension, which are induced by shell models of turbulence. After Fourier transformation, such continuous models split into an infinite number of uncoupled subsystems, which are all identical to the same shell model. The two shell models, which allow such a construction, are considered: the dyadic (Desnyansky-Novikov) model with the intershell ratio λ = 23/2 and the Sabra model of turbulence with λ = \\sqrt{2+\\sqrt{5}} ≈ 2.058 . The continuous models allow for understanding of various properties of shell model solutions and provide their interpretation in physical space. We show that the asymptotic solutions of the dyadic model with Kolmogorov scaling correspond to the shocks (discontinuities) for the induced continuous solutions in physical space, and the finite-time blowup together with its viscous regularization follow the scenario similar to the Burgers equation. For the Sabra model, we provide the physical space representation for blowup solutions and intermittent turbulent dynamics.

  10. 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.

  11. Shell model for buoyancy-driven turbulence.

    PubMed

    Kumar, Abhishek; Verma, Mahendra K

    2015-04-01

    In this paper we present a unified shell model for stably stratified and convective turbulence. Numerical simulation of this model for stably stratified flow shows Bolgiano-Obukhbov scaling in which the kinetic energy spectrum varies as k(-11/5). The shell model of convective turbulence yields Kolmogorov's spectrum. These results are consistent with the energy flux and energy feed due to buoyancy, and are in good agreement with direct numerical simulations of Kumar et al. [Phys. Rev. E 90, 023016 (2014)]. PMID:25974587

  12. Shape coexistence: the shell model view

    NASA Astrophysics Data System (ADS)

    Poves, A.

    2016-02-01

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

  13. 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.

  14. 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.

  15. The Shell-Model Code NuShellX@MSU

    SciTech Connect

    Brown, B.A.; Rae, W.D.M.

    2014-06-15

    Use of the code NuShellX@MSU is outlined. It connects to the ENSDF data files for automatic comparisons to energy level data. Operator overlaps provide predictions for spectroscopic factors, two-nucleon transfer amplitudes, nuclear moments, gamma decay and beta decay.

  16. 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.

  17. Improved Shell models for screened Coulomb balls

    NASA Astrophysics Data System (ADS)

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

    2006-10-01

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

  18. 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.

  19. Shell model for warm rotating nuclei

    SciTech Connect

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

    1996-12-31

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

  20. 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.

  1. A model of layered prismatic shells

    NASA Astrophysics Data System (ADS)

    Jaiani, George

    2016-05-01

    The present paper is devoted to a model for elastic layered prismatic shells which is constructed by means of a suggested in the paper approach which essentially differs from the known approaches for constructing models of laminated structures. Using Vekua's dimension reduction method after appropriate modifications, hierarchical models for elastic layered prismatic shells are constructed. We get coupled governing systems for the whole structure in the projection of the structure. The advantage of this model consists in the fact that we solve boundary value problems separately for each ply. In addition, beginning with the second ply, we use a solution of a boundary value problem of the preceding ply. We indicate ways of investigating boundary value problems for the governing systems. For the sake of simplicity, we consider the case of two plies, in the zeroth approximation. However, we also make remarks concerning the cases when either the number of plies is more than two or higher-order approximations (hierarchical models) should be applied. As an example, we consider a special case of deformation and solve the corresponding boundary value problem in the explicit form.

  2. 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.

  3. 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.

  4. 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.

  5. Molecular modeling, in silico screening and molecular dynamics of PfPRL-PTP of P. falciparum for identification of potential anti-malarials.

    PubMed

    Patel, Sachin; Joshi, Deepti; Soni, Rani; Sharma, Drista; Bhatt, Tarun Kumar

    2016-06-01

    Millions of deaths occur every year due to malaria. Growing resistance against existing drugs for treatment of malaria has exaggerated the problem further. There is an intense demand of identifying drug targets in malaria parasite. PfPRL-PTP protein is PRL group of phosphatase, and one of the interesting drug targets being involved in three important pathways of malaria parasite (secretion, phosphorylation, and prenylation). Therefore, in this study, we have modeled three-dimensional structure of PfPRL-PTP followed by validation of 3D structure using RAMPAGE, verify3D, and other structure validation tools. We could identify 12 potential inhibitory compounds using in silico screening of NCI library against PfPRL-PTP with Glide. The molecular dynamics simulation was also performed using GROMACS on PfPRL-PTP model alone and PfPRL-PTP-inhibitor complex. This study of identifying potential drug-like molecules would add up to the process of drug discovery against malaria parasite. PMID:26313238

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

    PubMed Central

    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. PMID:25258488

  7. Low Dimensional Models of Shell Vibrations. Parametrically Excited Vibrations of Cylinder Shells

    NASA Astrophysics Data System (ADS)

    Popov, A. A.; Thompson, J. M. T.; McRobie, F. A.

    1998-01-01

    Vibrations of cylindrical shells parametrically excited by axial forcing are considered. The governing system of two coupled non-linear partial differential equations is discretized by using Lagrange equations. The computation is simplified significantly by the application of computer algebra and as a result low dimensional models of shell vibrations are readily obtained. After applying numerical continuation techniques and ideas from dynamical systems theory, complete bifurcation diagrams are constructed. The principal aim is to investigate the interaction between different modes of shell vibration. Results for system models with two of the lowest modes are discussed.

  8. Modelling apical constriction in epithelia using elastic shell theory.

    PubMed

    Jones, Gareth Wyn; Chapman, S Jonathan

    2010-06-01

    Apical constriction is one of the fundamental mechanisms by which embryonic tissue is deformed, giving rise to the shape and form of the fully-developed organism. The mechanism involves a contraction of fibres embedded in the apical side of epithelial tissues, leading to an invagination or folding of the cell sheet. In this article the phenomenon is modelled mechanically by describing the epithelial sheet as an elastic shell, which contains a surface representing the continuous mesh formed from the embedded fibres. Allowing this mesh to contract, an enhanced shell theory is developed in which the stiffness and bending tensors of the shell are modified to include the fibres' stiffness, and in which the active effects of the contraction appear as body forces in the shell equilibrium equations. Numerical examples are presented at the end, including the bending of a plate and a cylindrical shell (modelling neurulation) and the invagination of a spherical shell (modelling simple gastrulation). PMID:19859751

  9. Shell model study of the neutron-rich nuclei around N=28

    SciTech Connect

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

    1997-03-01

    We describe the properties of the neutron-rich nuclei around N=28 in the shell mode framework. The valence space includes the sd shell for protons and the pf shell for neutrons without any restriction. Good agreement is found with the available experimental data. The N=28 shell closure persists, even if eroded by the large neutron excess. The calculations predict that {sup 40}S and {sup 42}S are deformed with {beta}=0.29 and {beta}=0.32 respectively. {copyright} {ital 1997} {ital The American Physical Society}

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

    EPA Science Inventory

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

  11. Modelling of the collision of two viscoelastic spherical shells

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

  12. 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

  13. 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

  14. SU(3) in shell-model calculations

    SciTech Connect

    Millener, D.J.

    1991-10-01

    The essential steps in the formalism for performing multi-shell calculations in an SU(3) basis are outlined and examples of applications in which the SU(3) classification aids in the physical interpretation of structure calculation are given.

  15. Energy transfers in shell models for magnetohydrodynamics turbulence.

    PubMed

    Lessinnes, Thomas; Carati, Daniele; Verma, Mahendra K

    2009-06-01

    A systematic procedure to derive shell models for magnetohydrodynamic turbulence is proposed. It takes into account the conservation of ideal quadratic invariants such as the total energy, the cross helicity, and the magnetic helicity, as well as the conservation of the magnetic energy by the advection term in the induction equation. This approach also leads to simple expressions for the energy exchanges as well as to unambiguous definitions for the energy fluxes. When applied to the existing shell models with nonlinear interactions limited to the nearest-neighbor shells, this procedure reproduces well-known models but suggests a reinterpretation of the energy fluxes. PMID:19658594

  16. Deriving the nuclear shell model from first principles

    NASA Astrophysics Data System (ADS)

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

    2014-09-01

    The results of an 18-nucleon No Core Shell Model calculation, performed in a large basis space using a bare, soft NN interaction, can be projected into the 0 ℏω space, i.e., the sd -shell. Because the 16 nucleons in the 16O core are frozen in the 0 ℏω space, all the correlations of the 18-nucleon system are captured by the two valence, sd -shell nucleons. By the projection, we obtain microscopically the sd -shell 2-body effective interactions, the core energy and the sd -shell s.p. energies. Thus, the input for standard shell-model calculations can be determined microscopically by this approach. If the same procedure is then applied to 19-nucleon systems, the sd -shell 3-body effective interactions can also be obtained, indicating the importance of these 3-body effective interactions relative to the 2-body effective interactions. Applications to A = 19 and heavier nuclei with different intrinsic NN interactions will be presented and discussed. The results of an 18-nucleon No Core Shell Model calculation, performed in a large basis space using a bare, soft NN interaction, can be projected into the 0 ℏω space, i.e., the sd -shell. Because the 16 nucleons in the 16O core are frozen in the 0 ℏω space, all the correlations of the 18-nucleon system are captured by the two valence, sd -shell nucleons. By the projection, we obtain microscopically the sd -shell 2-body effective interactions, the core energy and the sd -shell s.p. energies. Thus, the input for standard shell-model calculations can be determined microscopically by this approach. If the same procedure is then applied to 19-nucleon systems, the sd -shell 3-body effective interactions can also be obtained, indicating the importance of these 3-body effective interactions relative to the 2-body effective interactions. Applications to A = 19 and heavier nuclei with different intrinsic NN interactions will be presented and discussed. Supported by the US NSF under Grant No. 0854912, the US DOE under

  17. Spherical shell model description of rotational motion

    SciTech Connect

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

    1995-10-01

    Exact diagonalizations with a realistic interaction show that configurations with four neutrons in a major shell and four protons in another---or the same---major shell, behave systematically as backbending rotors. The dominance of the {ital q}{center_dot}{ital q} component of the interaction is related to an approximate ``quasi-SU3`` symmetry. It is suggested that the onset of rotational motion in the rare earth nuclei is due to the promotion of the eight particle blocks to the major shells above the ones currently filling. Assuming a ``pseudo-SU3`` coupling for the particles in the lower orbits, it is possible to account remarkably well for the observed {ital B}({ital E}2) rates at the beginning of the region.

  18. Thin Shell Model for NIF capsule stagnation studies

    NASA Astrophysics Data System (ADS)

    Hammer, J. H.; Buchoff, M.; Brandon, S.; Field, J. E.; Gaffney, J.; Kritcher, A.; Nora, R. C.; Peterson, J. L.; Spears, B.; Springer, P. T.

    2015-11-01

    We adapt the thin shell model of Ott et al. to asymmetric ICF capsule implosions on NIF. Through much of an implosion, the shell aspect ratio is large so the thin shell approximation is well satisfied. Asymmetric pressure drive is applied using an analytic form for ablation pressure as a function of the x-ray flux, as well as time-dependent 3D drive asymmetry from hohlraum calculations. Since deviations from a sphere are small through peak velocity, we linearize the equations, decompose them by spherical harmonics and solve ODE's for the coefficients. The model gives the shell position, velocity and areal mass variations at the time of peak velocity, near 250 microns radius. The variables are used to initialize 3D rad-hydro calculations with the HYDRA and ARES codes. At link time the cold fuel shell and ablator are each characterized by a density, adiabat and mass. The thickness, position and velocity of each point are taken from the thin shell model. The interior of the shell is filled with a uniform gas density and temperature consistent with the 3/2PV energy found from 1D rad-hydro calculations. 3D linked simulations compare favorably with integrated simulations of the entire implosion. Through generating synthetic diagnostic data, the model offers a method for quickly testing hypothetical sources of asymmetry and comparing with experiment. Prepared by LLNL under Contract DE-AC52-07NA27344.

  19. Deriving the nuclear shell model from first principles

    NASA Astrophysics Data System (ADS)

    Barrett, B. R.; Dikmen, E.; Lisetskiy, A. F.; Maris, P.; Shirokov, A. M.; Vary, J. P.

    2015-02-01

    A procedure for calculating microscopically the input for standard shell-model calculations, i.e., the core and single-particle energies plus the two-body effective model-space interactions, is presented and applied to nuclei at the start of the sd-shell. Calculations with the JISP16 and Idaho χEFT N3LO nucleon-nucleon interactions are performed and yield consistent results, which also are similar to phenomenological results in the sd-shell as well as with other theoretical calculations, utilizing other techniques. All results show only a weak A-dependence.

  20. 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.

  1. 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.

  2. TOPICAL REVIEW: Ab initio symplectic no-core shell model

    NASA Astrophysics Data System (ADS)

    Dytrych, T.; Sviratcheva, K. D.; Draayer, J. P.; Bahri, C.; Vary, J. P.

    2008-12-01

    The no-core shell model (NCSM) is a prominent ab initio method that yields a good description of the low-lying states in few-nucleon systems as well as in more complex p-shell nuclei. Nevertheless, its applicability is limited by the rapid growth of the many-body basis with larger model spaces and increasing number of nucleons. The symplectic no-core shell model (Sp-NCSM) aspires to extend the scope of the NCSM beyond the p-shell region by augmenting the conventional spherical harmonic oscillator basis with the physically relevant symplectic \\SpR{3} symmetry-adapted configurations of the symplectic shell model that describe naturally the monopole-quadrupole vibrational and rotational modes, and also partially incorporate α-cluster correlations. In this review, the models underpinning the Sp-NCSM approach, namely, the NCSM, the Elliott SU(3) model and the symplectic shell model, are discussed. Following this, a prescription for constructing translationally invariant symplectic configurations in the spherical harmonic oscillator basis is given. This prescription is utilized to unveil the extent to which symplectic configurations enter into low-lying states in 12C and 16O nuclei calculated within the framework of the NCSM with the JISP16 realistic nucleon-nucleon interaction. The outcomes of this proof-of-principle study are presented in detail.

  3. 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.

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

    NASA Astrophysics Data System (ADS)

    Gong, Ke; Kelley, David F.

    2014-11-01

    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/nm2. 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.

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

    SciTech Connect

    Gong, Ke; Kelley, David F.

    2014-11-21

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

  6. Shell-model predictions for Lambda Lambda hypernuclei

    SciTech Connect

    Gal, A.; Millener, D.

    2011-06-02

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

  7. Monte Carlo Shell Model for ab initio nuclear structure

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

    We report on our recent application of the Monte Carlo Shell Model to no-core calculations. At the initial stage of the application, we have performed benchmark calculations in the p-shell region. Results are compared with those in the Full Configuration Interaction and No-Core Full Configuration methods. These are found to be consistent with each other within quoted uncertainties when they could be quantified. The preliminary results in Nshell = 5 reveal the onset of systematic convergence pattern.

  8. TPX superconducting PF magnets

    SciTech Connect

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

    1995-12-31

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

  9. 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.

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

    PubMed

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

    2016-08-01

    Recent studies have demonstrated that the expression of sphingosine kinase 1, the enzyme that catalyses formation of the bioactive lipid, sphingosine 1-phosphate, is increased in lungs from patients with pulmonary arterial hypertension. In addition, Sk1(-/-) mice are protected from hypoxic-induced pulmonary arterial hypertension. Therefore, we assessed the effect of the sphingosine kinase 1 selective inhibitor, PF-543 and a sphingosine kinase 1/ceramide synthase inhibitor, RB-005 on pulmonary and cardiac remodelling in a mouse hypoxic model of pulmonary arterial hypertension. Administration of the potent sphingosine kinase 1 inhibitor, PF-543 in a mouse hypoxic model of pulmonary hypertension had no effect on vascular remodelling but reduced right ventricular hypertrophy. The latter was associated with a significant reduction in cardiomyocyte death. The protection involves a reduction in the expression of p53 (that promotes cardiomyocyte death) and an increase in the expression of anti-oxidant nuclear factor (erythroid-derived 2)-like 2 (Nrf-2). In contrast, RB-005 lacked effects on right ventricular hypertrophy, suggesting that sphingosine kinase 1 inhibition might be nullified by concurrent inhibition of ceramide synthase. Therefore, our findings with PF-543 suggest an important role for sphingosine kinase 1 in the development of hypertrophy in pulmonary arterial hypertension. PMID:27063355

  11. 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.

  12. 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

  13. 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

  14. Biomechanical evaluation of an injectable and biodegradable copolymer P(PF-co-CL) in a cadaveric vertebral body defect model.

    PubMed

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

    2014-03-01

    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

  15. 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

  16. E1 strength in Pb208 within the shell model

    NASA Astrophysics Data System (ADS)

    Schwengner, R.; Massarczyk, R.; Brown, B. A.; Beyer, R.; Dönau, F.; Erhard, M.; Grosse, E.; Junghans, A. R.; Kosev, K.; Nair, C.; Rusev, G.; Schilling, K. D.; Wagner, A.

    2010-05-01

    The dipole response of the doubly magic nuclide Pb208 was studied in photon-scattering experiments at the electron linear accelerator ELBE with bremsstrahlung produced at kinetic electron energies of 9.0 and 15.0 MeV. The present (γ,γ') data combined with (γ,n) data from the literature are compared with results of shell-model calculations and calculations using a quasiparticle random-phase approximation. The shell-model calculations including (2p-2h) excitations describe the experimental E1 strength well and reproduce the spreading of the giant dipole resonance by applying a small smearing width only.

  17. Meshless analysis of shear deformable shells: the linear model

    NASA Astrophysics Data System (ADS)

    Costa, Jorge C.; Tiago, Carlos M.; Pimenta, Paulo M.

    2013-10-01

    This work develops a kinematically linear shell model departing from a consistent nonlinear theory. The initial geometry is mapped from a flat reference configuration by a stress-free finite deformation, after which, the actual shell motion takes place. The model maintains the features of a complete stress-resultant theory with Reissner-Mindlin kinematics based on an inextensible director. A hybrid displacement variational formulation is presented, where the domain displacements and kinematic boundary reactions are independently approximated. The resort to a flat reference configuration allows the discretization using 2-D Multiple Fixed Least-Squares (MFLS) on the domain. The consistent definition of stress resultants and consequent plane stress assumption led to a neat formulation for the analysis of shells. The consistent linear approximation, combined with MFLS, made possible efficient computations with a desired continuity degree, leading to smooth results for the displacement, strain and stress fields, as shown by several numerical examples.

  18. 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

  19. 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.

  20. 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.

  1. 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.

  2. Off-Shell Structure of the String Sigma Model

    SciTech Connect

    Alan Kostelecky, V.; Perry, Malcolm J.; Potting, Robertus

    2000-05-15

    The off-shell structure of the string sigma model is investigated. In the open bosonic string, nonperturbative effects appear to depend crucially on the regularization scheme. A scheme retaining the notion of string width reproduces the structure of Witten's string field theory. (c) 2000 The American Physical Society.

  3. 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.

  4. Vibration Analysis of a Railway Carbody Using a Shell Model

    NASA Astrophysics Data System (ADS)

    Ishiguri, Kotaro; Kobayashi, Yukinori; Tomioka, Takahiro; Hoshino, Yohei

    This paper models a railway carbody as a non-circular cylindrical shell with simply-supported ends, where the shell does not have end plates or other equipment attached. Transfer matrix method (TMM) was applied to the analysis of three-dimensional elastic vibration problems on this carbody. A 1/12 size carbody model was made for experimental studies to verify the validity of the numerical simulation. This model has end plates and was placed on soft sponge at both ends to simulate the freely-supported condition. Modal analysis was applied to the experimental model, and natural frequencies and mode shapes of vibration were measured. Comparing the results by TMM and experiments, the natural frequencies and mode shapes of vibration for lower modes show good agreement in spite of the differences in boundary conditions. The effect of stiffening members installed on the experimental model was also investigated.

  5. 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.

  6. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

  8. 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.

  9. 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.

  10. 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.

  11. Shell model predictions for 124Sn double-β decay

    NASA Astrophysics Data System (ADS)

    Horoi, Mihai; Neacsu, Andrei

    2016-02-01

    Neutrinoless double-β (0 ν β β ) decay is a promising beyond standard model process. Two-neutrino double-β (2 ν β β ) decay is an associated process that is allowed by the standard model, and it was observed in about 10 isotopes, including decays to the excited states of the daughter. 124Sn was the first isotope whose double-β decay modes were investigated experimentally, and despite few other recent efforts, no signal has been seen so far. Shell model calculations were able to make reliable predictions for 2 ν β β decay half-lives. Here we use shell model calculations to predict the 2 ν β β decay half-life of 124Sn. Our results are quite different from the existing quasiparticle random-phase approximation results, and we envision that they will be useful for guiding future experiments. We also present shell model nuclear matrix elements for two potentially competing mechanisms to the 0 ν β β decay of 124Sn.

  12. 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).

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

    PubMed

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

    2005-06-01

    The heteroepitaxial growth of crystalline core-shell nanostructures of a variety of materials has become possible in recent years, allowing the realization of various novel nanoscale electronic and optoelectronic devices. The increased surface or interface area will decrease the thermal conductivity of such nanostructures and impose challenges for the thermal management of such devices. In the meantime, the decreased thermal conductivity might benefit the thermoelectric conversion efficiency. In this paper, we present modeling results on the lattice thermal conductivity of core-shell and tubular nanowires along the wire axis direction using the phonon Boltzmann equation. We report the dependence of the thermal conductivity on the surface conditions and the core-shell geometry for silicon core-germanium shell and tubular silicon nanowires at room temperature. The results show that the effective thermal conductivity changes not only with the composition of the constituents but also with the radius of the nanowires and nanopores due to the nature of the ballistic phonon transport. The results in this work have implications for the design and operation of a variety of nanoelectronic devices, optoelectronic devices, and thermoelectric materials and devices. PMID:15943452

  14. 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

  15. A shell model for tyre belt vibrations

    NASA Astrophysics Data System (ADS)

    Lecomte, C.; Graham, W. R.; Dale, M.

    2010-05-01

    We present a new formulation for the prediction of tyre belt vibrations in the frequency range 0-500 Hz. Our representation includes the effects of belt width, curvature and anisotropy, and also explicitly models the tyre sidewalls. Many of the associated numerical parameters are fixed by physical considerations; the remainder require empirical input. A systematic and general approach to this problem is developed, and illustrated for the specific example of a Goodyear Wrangler tyre. The resulting predictions for the radial response to radial forcing show good correspondence with experiment up to 300 Hz, and satisfactory agreement up to 1 kHz.

  16. Importance-truncated large-scale shell model

    NASA Astrophysics Data System (ADS)

    Stumpf, Christina; Braun, Jonas; Roth, Robert

    2016-02-01

    We propose an importance-truncation scheme for the large-scale nuclear shell model that extends its range of applicability to larger valence spaces and midshell nuclei. It is based on a perturbative measure for the importance of individual basis states that acts as an additional truncation for the many-body model space in which the eigenvalue problem of the Hamiltonian is solved numerically. Through a posteriori extrapolations of all observables to vanishing importance threshold, the full shell-model results can be recovered. In addition to simple threshold extrapolations, we explore extrapolations based on the energy variance. We apply the importance-truncated shell model for the study of 56Ni in the p f valence space and of 60Zn and 64Ge in the p f g9 /2 space. We demonstrate the efficiency and accuracy of the approach, which pave the way for future applications of valence-space interactions derived in ab initio approaches in larger valence spaces.

  17. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  19. 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

  20. 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.

  1. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2005-04-01

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

  3. Comparison between the Gamow shell model and the cluster-orbital shell model for weakly bound systems

    NASA Astrophysics Data System (ADS)

    Masui, H.; Katō, K.; Ikeda, K.

    2007-03-01

    We study contributions of poles and continua of the single-particle states to the wave function obtained by the cluster-orbital shell model (COSM). The COSM wave function is described in terms of a linear combination of nonorthogonal Gaussian basis sets. We study oxygen and helium isotopes as examples of normal and weakly bound nuclei. In the investigation of the contribution of the single-particle states, we expand the COSM wave function by using an extended completeness relation, which is constructed by the solution of the single-particle Hamiltonian. We use the complex scaling method to obtain the bound, resonant, and continuum states of the Hamiltonian and construct the extended completeness relation. The results are compared with those obtained by the Gamow shell model calculation.

  4. Microscopic Shell Model Calculations for the Fluorine Isotopes

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

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

    PubMed

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

    2016-03-01

    Loss-of-function mutations of Na(V)1.7 lead to congenital insensitivity to pain, a rare condition resulting in individuals who are otherwise normal except for the inability to sense pain, making pharmacological inhibition of Na(V)1.7 a promising therapeutic strategy for the treatment of pain. We characterized a novel mouse model of Na(V)1.7-mediated pain based on intraplantar injection of the scorpion toxin OD1, which is suitable for rapid in vivo profiling of Na(V)1.7 inhibitors. Intraplantar injection of OD1 caused spontaneous pain behaviors, which were reversed by co-injection with Na(V)1.7 inhibitors and significantly reduced in Na(V)1.7(-/-) mice. To validate the use of the model for profiling Na(V)1.7 inhibitors, we determined the Na(V) selectivity and tested the efficacy of the reported Na(V)1.7 inhibitors GpTx-1, PF-04856264 and CNV1014802 (raxatrigine). GpTx-1 selectively inhibited Na(V)1.7 and was effective when co-administered with OD1, but lacked efficacy when delivered systemically. PF-04856264 state-dependently and selectively inhibited Na(V)1.7 and significantly reduced OD1-induced spontaneous pain when delivered locally and systemically. CNV1014802 state-dependently, but non-selectively, inhibited Na(V) channels and was only effective in the OD1 model when delivered systemically. Our novel model of Na(V)1.7-mediated pain based on intraplantar injection of OD1 is thus suitable for the rapid in vivo characterization of the analgesic efficacy of Na(V)1.7 inhibitors. PMID:26999206

  7. 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

  8. 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.

  9. 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

  10. Holographic shell model: Stack data structure inside black holes?

    NASA Astrophysics Data System (ADS)

    Davidson, Aharon

    2014-03-01

    Rather than tiling the black hole horizon by Planck area patches, we suggest that bits of information inhabit, universally and holographically, the entire black core interior, a bit per a light sheet unit interval of order Planck area difference. The number of distinguishable (tagged by a binary code) configurations, counted within the context of a discrete holographic shell model, is given by the Catalan series. The area entropy formula is recovered, including Cardy's universal logarithmic correction, and the equipartition of mass per degree of freedom is proven. The black hole information storage resembles, in the count procedure, the so-called stack data structure.

  11. Morphing the Shell Model into an Effective Theory

    SciTech Connect

    Haxton, W. C.; Song, C.-L.

    2000-06-12

    We describe a strategy for attacking the canonical nuclear structure problem--bound-state properties of a system of point nucleons interacting via a two-body potential--which involves an expansion in the number of particles scattering at high momenta, but is otherwise exact. The required self-consistent solutions of the Bloch-Horowitz equation for effective interactions and operators are obtained by an efficient Green's function method based on the Lanczos algorithm. We carry out this program for the simplest nuclei, d and {sup 3}He , in order to explore the consequences of reformulating the shell model as a controlled effective theory. (c) 2000 The American Physical Society.

  12. The nuclear shell model toward the drip lines

    NASA Astrophysics Data System (ADS)

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

    2012-10-01

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

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

    PubMed

    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. PMID:20866731

  14. 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.

  15. 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.

  16. 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

  17. 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}

  18. 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.

  19. The shell model approach: Key to hadron structure

    SciTech Connect

    Lipkin, H.J. . Dept. of Nuclear Physics)

    1989-08-14

    A shell model approach leads to a simple constituent quark model for hadron structure in which mesons and baryons consist only of constituent quarks. Hadron masses are the sums of the constituent quark effective masses and a hyperfine interaction inversely proportional to the product of these same masses. Hadron masses and magnetic moments are related by the assumption that the same effective mass parameter appears in the additive mass term, the hyperfine interaction, and the quark magnetic moment, both in mesons and baryons. The analysis pinpoints the physical assumptions needed for each relation and gives two new mass relations. Application to weak decays and recent polarized EMC data confirms conclusions previously obtained that the current quark contribution to the spin structure of the proton vanishes, but without need for the questionable assumption of SU(3) symmetry relating hyperon decays and proton structure. SU(3) symmetry breaking is clarified. 24 refs.

  20. 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

  1. 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.

  2. 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.

  3. Multizone shell model for turbulent wall bounded flows.

    PubMed

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

    2003-10-01

    We suggested a multizone shell (MZS) model for wall-bounded flows accounting for the space inhomogeneity in a piecewise approximation, in which the cross-sectional area of the flow, S, is subdivided into j zones. The area of the first zone, responsible for the core of the flow, S1 approximately S/2, and the areas of the next j zones, S(j), decrease toward the wall like S(j) proportional, variant 2(-j). In each j zone the statistics of turbulence is assumed to be space homogeneous and is described by the set of shell velocities u(nj)(t) for turbulent fluctuations of the scale proportional to 2(-n). The MZS model includes a set of complex variables V(j)(t), j=1,2, em leader, infinity, describing the amplitudes of the near-wall coherent structures of the scale s(j) approximately 2(-j) and responsible for the mean velocity profile. The suggested MZS equations of motion for u(nj)(t) and V(j)(t) preserve the actual conservation laws (energy, mechanical, and angular momenta), respect the existing symmetries (including Galilean and scale invariance), and account for the type of nonlinearity in the Navier-Stokes equation, dimensional reasoning, etc. The MZS model qualitatively describes important characteristics of the wall-bounded turbulence, e.g., evolution of the mean velocity profile with increasing Reynolds number Re from the laminar profile toward the universal logarithmic profile near the flat-plane boundary layer as Re--> infinity. PMID:14683045

  4. Dynamic analysis of rotor flex-structure based on nonlinear anisotropic shell models

    NASA Astrophysics Data System (ADS)

    Bauchau, Olivier A.; Chiang, Wuying

    1991-05-01

    In this paper an anisotropic shallow shell model is developed that accommodates transverse shearing deformations and arbitrarily large displacements and rotations, but strains are assumed to remain small. Two kinematic models are developed, the first using two DOF to locate the direction of the normal to the shell's midplane, the second using three. The latter model allows for an automatic compatibility of the shell model with beam models. The shell model is validated by comparing its predictions with several benchmark problems. In actual helicopter rotor blade problems, the shell model of the flex structure is shown to give very different results shown compared to beam models. The lead-lag and torsion modes in particular are strongly affected, whereas flapping modes seem to be less affected.

  5. 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.

  6. 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

  7. Association of the epithelial-to-mesenchymal transition phenotype with responsiveness to the p21-activated kinase inhibitor, PF-3758309, in colon cancer models

    PubMed Central

    Pitts, Todd M.; Kulikowski, Gillian N.; Tan, Aik-Choon; Murray, Brion W.; Arcaroli, John J.; Tentler, John J.; Spreafico, Anna; Selby, Heather M.; Kachaeva, Maria I.; McPhillips, Kelly L.; Britt, Blair C.; Bradshaw-Pierce, Erica L.; Messersmith, Wells A.; Varella-Garcia, Marileila; Eckhardt, S. Gail

    2013-01-01

    The p21-activated kinase (PAK) family of serine/threonine kinases, which are overexpressed in several cancer types, are critical mediators of cell survival, motility, mitosis, transcription, and translation. In the study presented here, we utilized a panel of colorectal cancer (CRC) cell lines to identify potential biomarkers of sensitivity or resistance that may be used to individualize therapy to the PAK inhibitor PF-03758309. We observed a wide range of proliferative responses in the CRC cell lines exposed to PF-03758309, this response was recapitulated in other phenotypic assays such as anchorage-independent growth, three-dimensional (3D) tumor spheroid formation, and migration. Interestingly, we observed that cells most sensitive to PF-03758309 exhibited up-regulation of genes associated with a mesenchymal phenotype (CALD1, VIM, ZEB1) and cells more resistant had an up-regulation of genes associated with an epithelial phenotype (CLDN2, CDH1, CLDN3, CDH17) allowing us to derive an epithelial-to-mesenchymal transition (EMT) gene signature for this agent. We assessed the functional role of EMT-associated genes in mediating responsiveness to PF-3758309, by targeting known genes and transcriptional regulators of EMT. We observed that suppression of genes associated with the mesenchymal phenotype conferred resistance to PF-3758309, in vitro and in vivo. These results indicate that PAK inhibition is associated with a unique response phenotype in CRC and that further studies should be conducted to facilitate both patient selection and rational combination strategies with these agents. PMID:23543898

  8. 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.

  9. High explosive simulations of supernovae and the supernova shell fragmentation model of solar system formation

    SciTech Connect

    Brown, W.K.

    1987-09-01

    Comparison of photographs of explosive experiments to the Casseopeia A supernova remnant reveals a striking similarity. The similarity could indicate the presence of a relatively cool, underlying shell in the Casseopeia A remnant. As this shell expands and fragments, the observable features are produced by hot gases squirting through the cracks - as in explosive experiments. The existence of such underlying shells in supernova remnants supports the author's model of solar system formation.

  10. Van der Waals coefficients beyond the classical shell model

    SciTech Connect

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

    2015-01-14

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

  11. 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.

  12. 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.

  13. Off-shell suppressions and two body radiative processes in a vector dominance model

    SciTech Connect

    Lahiri, A.; Bagchi, B.; Gautam, V.P.; Nandy, A.

    1980-08-01

    The radiative decays of rho,K*, omega and phi are studied in a one-parameter vector dominance model by introducing corrections for the off-shell vector meson-photon coupling constants. It is found that off-shell values rho and omega are suppressed by 1/1.5 while off-shell phi is suppressed by 1/1.9 compared with their on-shell values. In addition, we have also considered P ..-->.. ..gamma.. ..gamma.. decays and sigma/sub tot/ (VP), and found generally good agreement with the available data.

  14. 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

  15. Preparation of hollow shell ICF targets using a depolymerizing model

    SciTech Connect

    Letts, S.A.; Fearon, E.M.; Buckley, S.R.

    1994-11-01

    A new technique for producing hollow shell laser fusion capsules was developed that starts with a depolymerizable mandrel. In this technique we use poly(alpha-methylstyrene) (PAMS) beads or shells as mandrels which are overcoated with plasma polymer. The PAMS mandrel is thermally depolymerized to gas phase monomer, which diffuses through the permeable and thermally more stable plasma polymer coating, leaving a hollow shell. We have developed methods for controlling the size of the PAMS mandrel by either grinding to make smaller sizes or melt sintering to form larger mandrels. Sphericity and surface finish are improved by heating the PAMS mandrels in hot water using a surfactant to prevent aggregation. Using this technique we have made shells from 200 {mu}m to 5 mm diameter with 15 to 100 {mu}m wall thickness having sphericity better than 2 {mu}m and surface finish better than 10 nm RMS.

  16. 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.

  17. PF-4 actinide disposition strategy

    SciTech Connect

    Margevicius, Robert W

    2010-05-28

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

  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. Nucleon-pair approximation to the nuclear shell model

    NASA Astrophysics Data System (ADS)

    Zhao, Y. M.; Arima, A.

    2014-12-01

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

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

    NASA Astrophysics Data System (ADS)

    Lai, Changliang; Wang, Junbiao; Liu, Chuang

    2014-10-01

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

  1. Symmetry-dictated trucation: Solutions of the spherical shell model for heavy nuclei

    SciTech Connect

    Guidry, M.W. |

    1992-12-31

    Principles of dynamical symmetry are used to simplify the spherical shell model. The resulting symmetry-dictated truncation leads to dynamical symmetry solutions that are often in quantitative agreement with a variety of observables. Numerical calculations, including terms that break the dynamical symmetries, are shown that correspond to shell model calculations for heavy deformed nuclei. The effective residual interaction is simple, well-behaved, and can be determined from basic observables. With this approach, we intend to apply the shell model in systematic fashion to all nuclei. The implications for nuclear structure far from stability and for nuclear masses and other quantities of interest in astrophysics are discussed.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. Gamow shell model description of proton scattering on Ne18

    NASA Astrophysics Data System (ADS)

    Jaganathen, Y.; Michel, N.; Płoszajczak, M.

    2014-03-01

    Background: The structure of weakly bound/unbound nuclei close to particle drip lines is different from that around the valley of beta stability. A comprehensive description of these systems goes beyond the standard shell model (SM) and demands an open quantum system description of the nuclear many-body system. Purpose: For that purpose, we are using the Gamow shell model (GSM), which provides a fully microscopic description of bound and unbound nuclear states, nuclear decays, and reactions. We formulate the GSM in coupled-channel (GSM-CC) representation to describe low-energy elastic and inelastic scattering of protons on Ne18. Method: The GSM-CC formalism is applied to a translationally invariant Hamiltonian with an effective finite-range two-body interaction. We discuss in detail the GSM-CC formalism in coordinate space and give the description of the novel equivalent potential method for solving the GSM-CC system of integrodifferential equations. This method is then applied for the description of (p,p') reaction cross-sections. The reactions channels are built by GSM wave functions for the ground state 0+ and the first excited 2+ of Ne18 and a proton wave function expanded in different partial waves. The completeness of this basis is verified by comparing GSM and GSM-CC energies of low-energy resonant states in Na19. The differences between the two calculations provide a measure of the missing configurations in the GSM-CC calculation of low-energy states of Na19 due to the restriction on the number of excited states of Ne18. Results: We present the first application of the GSM-CC formalism for the calculation of excited states of Ne18 and Na19, the excitation function, and the elastic/inelastic differential cross-sections in the Ne18(p,p') reaction at different energies. This is the first unified description of the spectra and reaction cross-sections in the GSM formalism. The method is shown to be both feasible and accurate. The approximate equivalence of GSM

  7. 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.

  8. Ab initio no-core shell model with continuum

    NASA Astrophysics Data System (ADS)

    Navratil, Petr

    2008-04-01

    The ab initio no-core shell model (NCSM) is a many-body approach to nuclear structure of light nuclei. The NCSM adopts an effective interaction theory to transform fundamental inter-nucleon interactions into effective interactions for a specified nucleus in a selected harmonic oscillator basis space [1]. The method is capable of predicting nuclear structure from inter-nucleon forces derived from quantum chromodynamics by means of chiral effective field theory [2]. NCSM extensions to the microscopic description of nuclear reactions are now under development. In my talk, I will first discuss our recent calculations of the ^4He total photo-absorption cross section using two- and three-nucleon interactions from chiral effective field theory [3]. I will then outline our effort to augment the NCSM by the resonating group method (RGM) technique to develop a new method capable of describing simultaneously both bound states and nuclear reactions on light nuclei [4]. This approach, which preserves translational symmetry and the Pauli principle, will allow us to calculate cross sections of reactions important for astrophysics and describe weakly-bound systems from first principles. I will present our first phase shift results for neutron scattering off ^3H, ^4He and ^7Li and proton scattering off ^3He, ^4He and ^7Be using realistic nucleon-nucleon potentials. 3mm [1] P. Navr'atil, J. P. Vary and B. R. Barrett, Phys. Rev. C 62, 054311 (2000). [2] P. Navr'atil and V. G. Gueorguiev and J. P. Vary, W. E. Ormand and A. Nogga, Phys. Rev. Lett. 99, 042501 (2007). [3] S. Quaglioni and P. Navr'atil, Phys. Lett. B 652, 370 (2007). [4] S. Quaglioni and P. Navr'atil, arXiv:0712.0855.

  9. 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

  10. An immersed-shell method for modelling fluid-structure interactions.

    PubMed

    Viré, A; Xiang, J; Pain, C C

    2015-02-28

    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

  11. 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

  12. 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.

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

    NASA Astrophysics Data System (ADS)

    Ganev, H. G.

    2015-07-01

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

  14. Study of weakly bound nuclei with an extended cluster-orbital shell model

    NASA Astrophysics Data System (ADS)

    Masui, H.; Katō, K.; Ikdea, K.

    2007-06-01

    We develop an approach for a unified description of bound and unbound states in the framework of the cluster-orbital shell model (COSM). In order to see the reliability of this approach, we study 16O+XN systems.

  15. 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.

  16. Stochastic estimation of level density in nuclear shell-model calculations

    NASA Astrophysics Data System (ADS)

    Shimizu, Noritaka; Utsuno, Yutaka; Futamura, Yasunori; Sakurai, Tetsuya; Mizusaki, Takahiro; Otsuka, Takaharu

    2016-06-01

    An estimation method of the nuclear level density stochastically based on nuclear shell-model calculations is introduced. In order to count the number of the eigen-values of the shell-model Hamiltonian matrix, we perform the contour integral of the matrix element of a resolvent. The shifted block Krylov subspace method enables us its efficient computation. Utilizing this method, the contamination of center-of-mass motion is clearly removed.

  17. 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.

  18. 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.

  19. 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…

  20. 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.

  1. 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.

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

    SciTech Connect

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

    1999-04-01

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

  3. 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.

  4. 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

  5. Structure of exotic nuclei by large-scale shell model calculations

    SciTech Connect

    Utsuno, Yutaka; Otsuka, Takaharu; Mizusaki, Takahiro; Honma, Michio

    2006-11-02

    An extensive large-scale shell-model study is conducted for unstable nuclei around N = 20 and N = 28, aiming to investigate how the shell structure evolves from stable to unstable nuclei and affects the nuclear structure. The structure around N = 20 including the disappearance of the magic number is reproduced systematically, exemplified in the systematics of the electromagnetic moments in the Na isotope chain. As a key ingredient dominating the structure/shell evolution in the exotic nuclei from a general viewpoint, we pay attention to the tensor force. Including a proper strength of the tensor force in the effective interaction, we successfully reproduce the proton shell evolution ranging from N = 20 to 28 without any arbitrary modifications in the interaction and predict the ground state of 42Si to contain a large deformed component.

  6. 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.

  7. 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.

  8. 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

  9. Radiative Transfer Modeling of the Extended Dust Shell of AFGL 618

    NASA Astrophysics Data System (ADS)

    Tartar, J.; Speck, A.; Meixner, M.; Nenkova, M.; Elitzur, M.

    2005-12-01

    AFGL 618 is a carbon-rich post AGB star/protoplanetary nebula (PPN), and is surrounded by extremely large circumstellar dust shells, containing the fossil record of its AGB mass loss. This dust shell ahs been observed at 120μ m and 180μ m by ISOPHT. We present results of radiative-transfer (RT) modeling of these dust shells, using the 1-d RT code DUSTY. While AFGL 618 is clearly axisymmetric close to the central star, this axisymmetry is contained well within the PSF of the ISO FIR observation. Our models are intended to determine several parameters AFGL 618 which are not currently wll constrained; among tehse being distance, gross dust distribution, stellar temperature, inner dust shell radius, dust grain size distribution, and dust grain composition. While there is some degeneracy within the models providing good fits to the data, some general results have emerged. We found that the optical depth of the dust shell in the mid-IR (τ 9.7μ m) is between 3 and 7. Furthermore, we have found that in order for the modeled brightnesses to match the observational data at both wavelengths (for the central region), it is necessary to include a considerable amount of crystalline dust (graphite and SiC) into the circumstellar shell in addition to amorphous carbon. Finally we show that the radial density distributions needed to match the observations are indicative of either constant mass-loss rate throughout the histor of the shell, or increasing mass-loss rates for the last few hundred years of the AGB. This increasing mass loss is interpreted as the superwind phase.

  10. 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

  11. 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.

  12. 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.

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

    PubMed

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

    2015-01-16

    We present results from recent time-of-flight nuclear mass measurements at the National Superconducting Cyclotron Laboratory at Michigan State University. We report the first mass measurements of ^{48}Ar and ^{49}Ar and find atomic mass excesses of -22.28(31)  MeV and -17.8(1.1)  MeV, respectively. These masses provide strong evidence for the closed shell nature of neutron number N=28 in argon, which is therefore the lowest even-Z element exhibiting the N=28 closed shell. The resulting trend in binding-energy differences, which probes the strength of the N=28 shell, compares favorably with shell-model calculations in the sd-pf shell using SDPF-U and SDPF-MU Hamiltonians. PMID:25635542

  14. 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.

  15. A Universal model for electron impact ionization of K, L and M-shells.

    NASA Astrophysics Data System (ADS)

    Bary Malik, Fazley; Haque, A. K. F.; Uddin, M. A.; Basak, A. K.; Saha, B. C.; Karim, K. R.

    2007-06-01

    A modified version of the original Kolbenstvedt model, which has its roots in quantum electrodynamical description of electron-electron scattering, will be presented. This modified model describes reasonably well cross sections of K-shell ionization of H, He, Li, C, N, O, Mg, Si, P and S, L-shell ionization of Ag, Sn, Ba, Ho, Ta, Au, Pb, Bi and U, M-shell ionization of Pb, Bi and U, from threshold to a few GeV incident energy. The same model with slight modification to account for the ionic charge is also applicable to ionic targets such as Ne^8+, Mo^41+, U^82+ from threshold to a few MeV incident energy. Experimentally observed increase of the cross section at high energies seems to be a consequence of the Møller interaction between two interacting electrons.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

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

    NASA Astrophysics Data System (ADS)

    Voros, Gabor

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

  1. 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.

  2. Gamow states and continua in the cluster-orbital shell model approach

    NASA Astrophysics Data System (ADS)

    Masui, H.; Kato, K.; Ikeda, K.

    2008-05-01

    Importance of the unbound states in loosely bound systems by comparing to the stable nuclei is investigated. We use the cluster-orbital shell model (COSM) approach and expand the wave function using the complete set of the single-particle states. The completeness relation is constructed by the Berggren metrics, which includes bound, resonant and anti-bound states, and continua. We precisely investigated such the contributions of the resonant states (Gamow states) and continua in the helium isotopes and compare them those obtained by the Gamow shell model.

  3. 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.

  4. Shell-model study of spin modes in nuclei and nuclear forces

    NASA Astrophysics Data System (ADS)

    Suzuki, Toshio; Otsuka, Takaharu; Honma, Michio; Tsunoda, Naofumi

    2015-02-01

    Spin-dependent modes in nuclei are studied by shell-model method with the use of new shell-model Hamiltonians which properly take into account important roles of tensor interactions. New Hamiltonians can describe spin degrees of freedom in nuclei remarkably well. Nuclear weak processes at stellar environments are investigated based on these successes. New neutrino-nucleus reaction cross sections on 12C are applied to light-element synthesis in supernova explosions. The production rate for 11B/7Li is pointed out to be useful to determine v-oscillation parameters, in particular, v-mass hierarchy. New e-capture rates in Ni isotopes are obtained and implications for element synthesis are discussed. The monopole-based universal interaction is applied to study structure of p-sd shell nuclei and 40Ar as well as v-induced reactions on 40Ar. Repulsive corrections in the isospin T=1 monopoles are shown to be important for proper shell evolutions in neutron-rich carbon isotopes. The repulsive correction is pointed out to be due to three-body forces, in particular, the Fujita-Miyazawa force. Roles of the three-body forces on the shell evolution of neutron-rich calcium isotopes, the closed- shell nature of 48 Ca and M1 transition in 48 Ca are studied on top of the two-body G-matrix obtained by including core-polarization effects in larger spaces (<=24hslashω). Effects of the inclusion of g9/2-shell are also discussed.

  5. Further insights into the anti-PF4/heparin IgM immune response.

    PubMed

    Krauel, Krystin; Schulze, Annika; Jouni, Rabie; Hackbarth, Christine; Hietkamp, Bernhard; Selleng, Sixten; Koster, Andreas; Jensch, Inga; van der Linde, Julia; Schwertz, Hansjörg; Bakchoul, Tamam; Hundt, Matthias; Greinacher, Andreas

    2016-04-01

    Anti-platelet factor 4 (PF4)/heparin antibodies are not only the cause of heparin-induced thrombocytopenia but might also play a role in the antibacterial host defence. Recently, marginal zone (MZ) B cells were identified to be crucial for anti-PF4/heparin IgG antibody production in mice. Combining human studies and a murine model of polymicrobial sepsis we further characterised the far less investigated anti-PF4/heparin IgM immune response. We detected anti-PF4/heparin IgM antibodies in the sera of paediatric patients < 6 months of age after cardiac surgery and in sera of splenectomised mice subjected to polymicrobial sepsis. In addition, PF4/heparin-specific IgM B cells were not only found in murine spleen, but also in peritoneum and bone marrow upon in vitro stimulation. Together, this indicates involvement of additional B cell populations, as MZ B cells are not fully developed in humans until the second year of life and are restricted to the spleen in mice. Moreover, PF4/heparin-specific B cells were detected in human cord blood upon in vitro stimulation and PF4-/- mice produced anti-PF4/heparin IgM antibodies after polymicrobial sepsis. In conclusion, the anti-PF4/heparin IgM response is a potential innate immune reaction driven by a B cell population distinct from MZ B cells. PMID:26467272

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. Symmetry-Adapted No-Core Shell Model for Light Nuclei

    NASA Astrophysics Data System (ADS)

    Launey, K. D.; Dytrych, T.; Draayer, J. P.; Tobin, G. K.; Ferriss, M. C.; Langr, D.; Dreyfuss, A. C.; Maris, P.; Vary, J. P.; Bahri, C.

    2014-09-01

    We present results for p-shell nuclei based on the ab initio symmetry-adapted no-core shell model that utilizes an SU(3) coupling scheme. Details given for 12C are reflective of similar results found for 6Li, 8B, 8Be, and 16O, all of which exhibit a strong preference for large quadrupole deformations and a narrow set of intrinsic spin values. The outcome suggests that a small subspace of symmetry-adapted configurations can very closely approximate the exact solutions. The symmetry patterns unveiled in these results are, in turn, employed to explore ultra-large model spaces for 12C, in particular to study the elusive Hoyle state, as well as for 8Be and sd-shell nuclei including Ne and Mg.

  11. 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.

  12. Finite-Element Modeling of Solid State Convection within Europa's Ice Shell: Implications for Astrobiology

    NASA Astrophysics Data System (ADS)

    Barr, A. C.; Pappalardo, R.

    2001-12-01

    Solid state convection within Europa's ice shell has important implications for astrobiology because it drives relatively swift, large scale vertical motion over geologically short time scales. On Europa, convection may occur within the lower portion of the floating ice shell. The strong dependence of the viscosity of ice on temperature leads to the formation of a stagnant lid at Europa's surface where convective motion ceases. Beneath the stagnant lid, convective motions facilitate cycling of nutrients through the ice shell. In upwelling areas, relatively nutrient-poor, but possibly microbe-containing and biochemically-modified ice is pushed toward the surface. Downwellings push near-surface ice modified by surface radiation down to the ocean. Dissipation of tidal heat within the ice shell is dependent on the viscosity of the ice: warm, low-viscosity ice will dissipate more energy than cold, brittle ice. This positive feedback between tidal heating and viscosity can result in isolated pockets of melting within Europa's ice shell [Wang & Stevenson, 2000]. These pockets of melt could potentially harbor isolated microbial communities for a finite amount of time. We are in the process of modifying a 3 dimensional finite-element code originally constructed to model Earth's mantle (Citcom) [Zhong, 1998] to apply to icy systems. This model will take into account tidal heating within the ice shell, and the presence of salts and partial melt within the ice. Results of our preliminary 2 dimensional modeling confirm that the convecting sub-layer of Europa's ice shell is recycled in 105 years, and confirm that isolated pockets of melt can be generated within Europa's ice shell by tidal heating. Our model can be used to calculate the mass of ice deposited beneath the stagnant lid as a function of position on Europa. These mass flux estimates coupled with models of the formation of surface features which involve breaching the stagnant lid will help identify the locations on

  13. Analytical and computational models of shells; Proceedings of the Symposium, ASME Winter Annual Meeting, San Francisco, CA, Dec. 10-15, 1989

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Editor); Belytschko, Ted (Editor); Simo, Juan C. (Editor)

    1989-01-01

    Topics presented include asymptotic analysis and computation for shells, the edge effects in the Reissner-Mindlin plate theory, nonlinear problems of geometrically exact shell theories, and developments in variational methods for high performance plate and shell elements. Also presented are an assumed strain solid element model for geometrically nonlinear shell analysis, shell finite elements with six degrees of freedom per node, hierarchic plate and shell models based on p-extension, and a simple shell element formulation for large-scale elastoplastic analysis. Also discussed are the assessment of computational models for multilayered composite cylinders, shell models for impact analysis, analysis of shell structures subjected to contact-impacts, and the application of shell theory to cardiac mechanics.

  14. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2002-05-01

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

  16. 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.

  17. 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.

  18. Line spring model and its applications to part-through crack problems in plates and shells

    NASA Technical Reports Server (NTRS)

    Erdogan, Fazil; Aksel, Bulent

    1988-01-01

    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.

  19. Reply to "Comment on `α decay in the complex-energy shell model'"

    NASA Astrophysics Data System (ADS)

    Id Betan, R.; Nazarewicz, W.

    2016-06-01

    We reply to the Comment by Lovas, which concerns the shell model calculations of the α -decay width of 212Po. In the Comment, the author claims that the α -formation amplitudes obtained in our work "look unusual." Here we reaffirm the results and conclusions of our original article.

  20. 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.

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

    SciTech Connect

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

    2005-02-05

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

  2. 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.

  3. 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.

  4. 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

  5. Constraining Enceladus’s ice shell thickness using tidally driven Coulomb failure models of the tiger stripe fractures

    NASA Astrophysics Data System (ADS)

    Olgin, J. G.; Smith-Konter, B. R.; Pappalardo, R. T.

    2009-12-01

    The thickness of Enceladus’s ice shell, and subsequently the depth of its underlying ocean, plays an important role in determining the magnitude and orientation of tidal stresses on the surface of the satellite. The objective of this study is to attempt to constrain Enceladus’s ice shell thickness through assessment of tidally driven Coulomb failure of the tiger stripe fractures, probable sources of tectonic activity that reside along Enceladus’s south polar region. Using the SatStress computational model and assuming a global ocean and uniform ice shell thickness, we compare tidal stresses resulting from a suite of models of variable ice shell thickness (6 km, 24 km, 30 km, 40 km, 50 km, 75 km, and 90 km). Evaluation of the Love numbers for each model (l2, h2 and k2) suggest that ice shell thicknesses greater than a few 10s of km are not capable of generating stress conditions conducive to fault failure on Enceladus. We further investigate the feasibility of tiger stripe failure by applying a Coulomb failure model to the resulting tidal stresses. Based on previous work, we have shown that a 24 km thick ice shell model is capable of generating stress conditions that promote Coulomb failure and strike-slip displacements of ~0.4 m along some portions of the tiger stripe system, assuming a coefficient of friction of 0.2. We compare this reference model to the 6 km, 30 km, 40 km, 50 km, 75 km, and 90 km ice shell models and find that thin to moderate ice shell models do indeed support fault failure, while thick ice shell models do not. Models based on a 6 km ice shell thickness can yield strike-slip displacements on the order of 1 m along all segments of the tiger stripe system. Models based on a 30 km ice shell thickness can also generate strike-slip displacements (~0.1 m), however only on isolated fault segments. Finally, models based on a 40 km ice shell thickness or greater cannot generate stresses capable of Coulomb failure along any of the tiger stripe

  6. Electrical susceptibilities of KNbO3 by molecular dynamics simulations using a shell model

    NASA Astrophysics Data System (ADS)

    Hashimoto, T.; Moriwake, H.

    2016-03-01

    We performed molecular dynamics simulations of KNbO3 using an isotropic shell model by Sepliarsky et al. The anisotropies and the temperature dependence of the experimental susceptibilities of KNbO3 were found to be reproduced qualitatively in this model. The densities of probabilities of the local polarizations are more widely distributed around their average values compared to those for the previous shell model result of BaTiO3. This leads to larger fluctuations of the total dipole moments of the MD cell and to larger susceptibilities than the previous results. The dynamical Nb-O chain structures for the cubic phase as well as for the tetragonal phase in the ab plane and for the orthorhombic phase in the c direction were predicted also by this model.

  7. Evidence for Symplectic Symmetry in Ab Initio No-Core Shell Model Results for Light Nuclei

    SciTech Connect

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

    2007-04-24

    Clear evidence for symplectic symmetry in low-lying states of {sup 12}C and {sup 16}O is reported. Eigenstates of {sup 12}C and {sup 16}O, determined within the framework of the no-core shell model using the JISP16 NN realistic interaction, typically project at the 85-90% level onto a few of the most deformed symplectic basis states that span only a small fraction of the full model space. The results are nearly independent of whether the bare or renormalized effective interactions are used in the analysis. The outcome confirms Elliott's SU(3) model which underpins the symplectic scheme, and above all, points to the relevance of a symplectic no-core shell model that can reproduce experimental B(E2) values without effective charges as well as deformed spatial modes associated with clustering phenomena in nuclei.

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

    NASA Astrophysics Data System (ADS)

    Drumev, Kalin; Georgieva, Ana

    2015-04-01

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

  9. Structure-Function-Immunogenicity Studies of PfEMP1 Domain DBL2βPF11_0521, a Malaria Parasite Ligand for ICAM-1

    PubMed Central

    Gullingsrud, Justin; Saveria, Tracy; Amos, Emily; Duffy, Patrick E.; Oleinikov, Andrew V.

    2013-01-01

    Plasmodium falciparum virulence has been ascribed to its ability to sequester in deep vascular beds, mediated by the variant surface antigen family PfEMP1 binding endothelial receptors like ICAM-1. We previously observed that naturally-acquired antibodies that block a PfEMP1 domain, DBL2β of PF11_0521 allele, from binding to the human ICAM1 receptor, reduce the risk of malaria hospitalization in children. Here, we find that DBL2βPF11_0521 binds ICAM-1 in the low nM range and relate the structure of this domain with its function and immunogenicity. We demonstrate that the interaction with ICAM-1 is not impaired by point mutations in the N-terminal subdomain or in the flexible Loop 4 of DBL2βPF11_0521, although both substructures were previously implicated in binding ICAM-1. These data will help to refine the existing model of DBLβ::ICAM-1 interactions. Antibodies raised against full-length DBL2βPF11_0521, but not truncated forms lacking the N terminal fragment, block its interaction with ICAM-1. Our data suggest that full length domain is optimal for displaying functional epitopes and has a broad surface of interaction with ICAM-1 that is not disrupted by individual amino acid substitutions at putative key residues. This information might be important for the future design of anti-malarial vaccines based on PfEMP1 antigens. PMID:23593462

  10. 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

  11. 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

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

    NASA Astrophysics Data System (ADS)

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

    2003-05-01

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

  13. 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.

  14. 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.

  15. Acoustic scattering from a water-filled cylindrical shell: measurements, modeling, and interpretation.

    PubMed

    España, Aubrey L; Williams, Kevin L; Plotnick, Daniel S; Marston, Philip L

    2014-07-01

    Understanding the physics governing the interaction of sound with targets in an underwater environment is essential to improving existing target detection and classification algorithms. To illustrate techniques for identifying the key physics, an examination is made of the acoustic scattering from a water-filled cylindrical shell. Experiments were conducted that measured the acoustic scattering from a water-filled cylindrical shell in the free field, as well as proud on a sand-water interface. Two modeling techniques are employed to examine these acoustic scattering measurements. The first is a hybrid 2-D/3-D finite element (FE) model, whereby the scattering in close proximity to the target is handled via a 2-D axisymmetric FE model, and the subsequent 3-D propagation to the far field is determined via a Helmholtz integral. This model is characterized by the decomposition of the fluid pressure and its derivative in a series of azimuthal Fourier modes. The second is an analytical solution for an infinitely long cylindrical shell, coupled with a simple approximation that converts the results to an analogous finite length form function. Examining these model results on a mode-by-mode basis offers easy visualization of the mode dynamics and helps distinguish the different physics driving the target response. PMID:24993199

  16. 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

  17. IR photometry and dust-shell models for two carbon stars

    NASA Astrophysics Data System (ADS)

    Bogdanov, M. B.; Taranova, O. G.

    2012-02-01

    We present JHKLM photometry of the carbon stars ST And and T Lyn acquired in 2000-2010. Along with brightness variations due to pulsations, changes on timescales of 2000-3000 days are also observed. Our combined light curves can be satisfactorily represented with light elements derived from visual observations, but the maxima are delayed relative to the calculated times. A color-index analysis demonstrates that the dust shell of ST And is fairly weak, and is manifest only episodically, while the presence of hot dust was always detected for T Lyn. These results confirm models of spherically symmetric stellar dust shells based on mean-flux data, supplemented with observations in the intermediate IR from the IRAS and AKARI satellites. The visual optical depth of the relatively cool dust shell of ST And assuming a dust temperature at the inner edge of T 1 = 510 K is very low: τ V = 0.047. The dust shell of T Lyn is considerably hotter ( T 1 = 940 K), with τ V = 0.95. We estimate the mass-loss rate to be 1.8 × 10-7 M ⊙/year for ST And and 3.7 × 10-7 M ⊙/year for T Lyn.

  18. Promoting action of cashew nut shell oil in DMBA-initiated mouse skin tumour model system.

    PubMed

    Banerjee, S; Rao, A R

    1992-02-29

    The commercially available oil derived from the shell of cashew nut (Anacardium occidentale) was tested for its potency in promoting the DMBA-initiated cells into papillomas in a murine two-stage skin tumorigenesis model system. Male Swiss albino mice (9-10-weeks-old) were assorted into different groups and treated topically with single sub-carcinogenic doses of DMBA (50 micrograms in 0.1 ml acetone) followed by application of 1% and 2% shell oil in acetone three times a week. Animals were sacrificed after 20 weeks from the commencement of the experiment. The results imply a weak tumour promoting effect of cashew nut shell oil as the mean tumour incidences were found to be 1.1 and 2.5 in 1% and 2% oil treatment groups, respectively, while the corresponding figure vas 6.6 in the positive control group (DMBA and 1% croton oil in acetone). Few speculative mechanisms for the observed effect of cashew nut shell oil on initiated skin are discussed. PMID:1540942

  19. 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.

  20. 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.

  1. Stochastic shell models driven by a multiplicative fractional Brownian-motion

    NASA Astrophysics Data System (ADS)

    Bessaih, Hakima; Garrido-Atienza, María J.; Schmalfuss, Björn

    2016-04-01

    We prove existence and uniqueness of the solution of a stochastic shell-model. The equation is driven by an infinite dimensional fractional Brownian-motion with Hurst-parameter H ∈(1 / 2 , 1) , and contains a non-trivial coefficient in front of the noise which satisfies special regularity conditions. The appearing stochastic integrals are defined in a fractional sense. First, we prove the existence and uniqueness of variational solutions to approximating equations driven by piecewise linear continuous noise, for which we are able to derive important uniform estimates in some functional spaces. Then, thanks to a compactness argument and these estimates, we prove that these variational solutions converge to a limit solution, which turns out to be the unique pathwise mild solution associated to the shell-model with fractional noise as driving process.

  2. Generalized Kolbenstvedt model for electron impact ionization of the K-, L- and M-shell ions

    NASA Astrophysics Data System (ADS)

    Haque, A. K. F.; Shahjahan, M.; Uddin, M. A.; Patoary, M. A. R.; Basak, A. K.; Saha, B. C.; Malik, F. B.

    2010-04-01

    The recently proposed generalized Kolbenstvedt model (GKLV) of Haque et al (2007 Eur. Phys. J. D 42 203), for the electron impact ionization (EII) of atoms, was applied to a wide range of K-, L- and M-shell electrons of ionic targets from threshold to 1 MeV incident energy. The set of species-independent parameters, two for each of the ionized orbits, is the same as that for neutral targets, and provides an excellent account of the EII cross-sectional data for 36 ions, including those belonging to Li, Be, B, C, N, O and Ne electronic sequences as well as those having 3s-, 3p- and 3d-configurations of the M-shell in a consistent manner. The performance of GKLV is found to be better than that of the modified version of the BELL model (Haque et al 2006 Phys. Rev. A 73 052703, Haque et al 2006 Phys. Scr. 74 377).

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

    PubMed

    Sahoo, Ganapati; Mitra, Dhrubaditya; Pandit, Rahul

    2010-03-01

    We carry out systematic and high-resolution studies of dynamo action in a shell model for magnetohydrodynamic (MHD) turbulence over wide ranges of the magnetic Prandtl number PrM and the magnetic Reynolds number ReM. Our study suggests that it is natural to think of dynamo onset as a nonequilibrium first-order phase transition between two different turbulent, but statistically steady, states. The ratio of the magnetic and kinetic energies is a convenient order parameter for this transition. By using this order parameter, we obtain the stability diagram (or nonequilibrium phase diagram) for dynamo formation in our MHD shell model in the (PrM-1,ReM) plane. The dynamo boundary, which separates dynamo and no-dynamo regions, appears to have a fractal character. We obtain a hysteretic behavior of the order parameter across this boundary and suggestions of nucleation-type phenomena. PMID:20365864

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

    NASA Technical Reports Server (NTRS)

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

    1992-01-01

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

  5. Knockout reactions from p-shell nuclei : tests of ab initio structure models.

    SciTech Connect

    Grinyer, G. F.; Bazin, D.; Gade, A.; Tostevin, J. A.; Adrich, P.; Bowen, M. D.; Brown, B. A.; Campbell, C. M.; Cook, J. M.; Glasmacher, T.; McDaniel, S.; Navratil, P.; Obertelli, A.; Quaglioni, S.; Siwek, K.; Terry, J. R.; Weisshaar, D.; Wiringa, R. B.

    2011-04-22

    Absolute cross sections have been determined following single neutron knockout reactions from {sup 10}Be and {sup 10}C at intermediate energy. Nucleon density distributions and bound-state wave function overlaps obtained from both variational Monte Carlo (VMC) and no core shell model (NCSM) ab initio calculations have been incorporated into the theoretical description of knockout reactions. Comparison to experimental cross sections demonstrates that the VMC approach, with the inclusion of 3-body forces, provides the best overall agreement while the NCSM and conventional shell-model calculations both overpredict the cross sections by 20% to 30% for {sup 10}Be and by 40% to 50% for {sup 10}C, respectively. This study gains new insight into the importance of 3-body forces and continuum effects in light nuclei and provides a sensitive technique to assess the accuracy of ab initio calculations for describing these effects.

  6. Knockout Reactions from p-Shell Nuclei: Tests of Ab Initio Structure Models

    SciTech Connect

    Grinyer, G. F.; Bazin, D.; Adrich, P.; Obertelli, A.; Weisshaar, D.; Gade, A.; Bowen, M. D.; Brown, B. A.; Campbell, C. M.; Cook, J. M.; Glasmacher, T.; McDaniel, S.; Siwek, K.; Terry, J. R.; Tostevin, J. A.; Navratil, P.; Quaglioni, S.; Wiringa, R. B.

    2011-04-22

    Absolute cross sections have been determined following single neutron knockout reactions from {sup 10}Be and {sup 10}C at intermediate energy. Nucleon density distributions and bound-state wave function overlaps obtained from both variational Monte Carlo (VMC) and no core shell model (NCSM) ab initio calculations have been incorporated into the theoretical description of knockout reactions. Comparison to experimental cross sections demonstrates that the VMC approach, with the inclusion of 3-body forces, provides the best overall agreement while the NCSM and conventional shell-model calculations both overpredict the cross sections by 20% to 30% for {sup 10}Be and by 40% to 50% for {sup 10}C, respectively. This study gains new insight into the importance of 3-body forces and continuum effects in light nuclei and provides a sensitive technique to assess the accuracy of ab initio calculations for describing these effects.

  7. Modeling of thin structures in eddy current testing with shell elements

    NASA Astrophysics Data System (ADS)

    Ospina, A.; Santandrea, L.; Le Bihan, Y.; Marchand, C.

    2010-11-01

    The modeling and design of eddy currents sensors for non-destructive testing applications, generally, requires numerical methods. Among these methods, the finite element method is one of the most used. Indeed, it presents a great capability to treat a large variety of configurations. However, in the study of eddy current testing problems, the existence of structures that have a geometrical dimension smaller than the others (thin air gaps, coatings...) will lead to difficulties related to the meshing process. The introduction of particular elements such as shell elements allows to simplify the modeling of these problems. In this paper, the shell elements are used in two different 2D axisymmetric formulations, the electric formulation a* and the magnetic formulation t-ϕ in order to simulate the behaviour of the electromagnetic fields. The results obtained with the two formulations are compared with analytical solutions.

  8. Study of oxygen isotopes and N=8 isotones with an extended cluster-orbital shell model

    NASA Astrophysics Data System (ADS)

    Masui, H.; Katō, K.; Ikeda, K.

    2006-03-01

    We attempt to obtain a unified description of the bound and unbound states of multivalence nucleons of a core system in the framework of the cluster-orbital shell model (COSM). In this framework, the interaction between the core and a valence nucleon (the core-N interaction) is treated microscopically, and the changes in both the core structure and the core-N interaction are discussed on the same basis. Furthermore, the center-of-mass motion of every nucleon is completely eliminated, and higher shell configurations, including unbound continuum components, are appropriately taken into account by applying a stochastic variational approach. To examine the reliability of this approach and to discuss how the dynamics of the core reflects to the total system, we study oxygen isotopes and N=8 isotones, which are described by O16 + Xn and O16 + Xp models, respectively.

  9. SD-pair shell model study for {sup 126}Xe and {sup 128}Ba

    SciTech Connect

    Meng Xiangfei; Luo Yanan; Wang, Fu-rong; Pan Feng; Draayer, Jerry P.

    2008-04-15

    The SD-pair shell model is employed to study {sup 126}Xe and {sup 128}Ba. The results show that the spectra and electromagnetic transition strengths can be nicely described in terms of a three-parameter Hamiltonian. In our previous paper, we got a conclusion that the SD-pair approximation improves with the number of SD pairs N. This work shows that this conclusion can be extrapolated to the case with N=5.

  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. The shell model Monte Carlo approach to level densities: Recent developments and perspectives

    NASA Astrophysics Data System (ADS)

    Alhassid, Y.

    2015-12-01

    We review recent advances in the shell model Monte Carlo approach for the microscopic calculation of statistical and collective properties of nuclei. We discuss applications to the calculation of i) level densities in nickel isotopes, implementing a recent method to circumvent the odd-particle sign problem; ii) state densities in heavy nuclei; iii) spin distributions of nuclear levels; and iv) finite-temperature quadrupole distributions.

  12. 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.

  13. 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.

  14. Study of neutron-rich nuclei with an m -scheme cluster-orbital shell model approach

    NASA Astrophysics Data System (ADS)

    Masui, H.; Katō, K.; Ikeda, K.

    2009-12-01

    We propose an m -scheme approach of the cluster-orbital shell model (COSM) formalism. In order to take into account the contribution of the unbound states, the radial wave function is treated as the super position of the Gaussian functions with different width parameters. We apply the m -scheme COSM to oxygen isotopes. Energies and r.m.s. radii of oxygen isotopes are studied.

  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. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2003-09-01

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

  19. No-Core Shell Model for A = 47 and A = 49

    SciTech Connect

    Vary, J P; Negoita, A G; Stoica, S

    2006-11-13

    We apply the no-core shell model to the nuclear structure of odd-mass nuclei straddling {sup 48}Ca. Starting with the NN interaction, that fits two-body scattering and bound state data, we evaluate the nuclear properties of A = 47 and A = 49 nuclei while preserving all the underlying symmetries. Due to model space limitations and the absence of three-body interactions, we incorporate phenomenological interaction terms determined by fits to A = 48 nuclei in a previous effort. Our modified Hamiltonian produces reasonable spectra for these odd-mass nuclei. In addition to the differences in single-particle basis states, the absence of a single-particle Hamiltonian in our no-core approach complicates comparisons with valence effective NN interactions. We focus on purely off-diagonal two-body matrix elements since they are not affected by ambiguities in the different roles for one-body potentials and we compare selected sets of fp-shell matrix elements of our initial and modified Hamiltonians in the harmonic oscillator basis with those of a recent model fp-shell interaction, the GXPF1 interaction of Honma et al. While some significant differences emerge from these comparisons, there is an overall reasonably good correlation between our off-diagonal matrix elements and those of GXPF1.

  20. Computational Atomistic Modeling of Bi-Magnetic Core-Shell Nanoparticles

    NASA Astrophysics Data System (ADS)

    Sahay, Rahul; Peralta, Juan; Caruntu, Gabriel

    Since its discovery, there has been an increasing interest in the modeling of magnetic phenomena found in materials that present exchange bias. In particular, ferro-antiferromagnetic core-shell nanoparticles are an interesting case in which the magnetic properties of the nanostructure can be altered by adjusting their size, shape, and composition. Here we present a computational scheme that efficiently models the magnetic behavior of bi-magnetic core-shell nanostructures. Using a Heisenberg-Dirac-van Vleck Hamiltonian in combination with a continuous spin model, we simulate a wide range of hysteresis diagrams displaying exchange bias. Furthermore, we will demonstrate our efforts towards improving the efficiency of the simulation algorithms, aiming to afford magnetic atomistic simulations of large nanostructures by using a method based on a tessellated unit sphere to account for spin orientations. Our results allow for further semi-quantitative comparisons with existing experimental data and provide a means to discover new phenomena associated with these core-shell nanoparticles and other nanostructures. NSF DMR-1206920.

  1. Finite-element modeling of an acoustic cloak for three-dimensional flexible shells with structural excitation

    NASA Astrophysics Data System (ADS)

    Ramadan, M.; Akl, W.; Elnady, T.; Elsabbagh, A.

    2011-06-01

    A finite-element model for three-dimensional acoustic cloaks in both cylindrical and spherical coordinates is presented. The model is developed through time-harmonic analysis to study pressure and velocity field distributions as well as the cloak's performance. The model developed accounts for the fluid-structure interaction of thin fluid-loaded shells. A plane strain model is used for the thin shell. Mechanical harmonic excitation is applied to the fluid-loaded shell to investigate the effect of mechanical oscillation of the shell on the performance of the acoustic cloak. In developing this model, a deeper insight into the acoustic cloak phenomena presented by Cummer and Shurig in 2007 is presented. Different nonlinear coordinate transformations are presented to study their effect on the acoustic cloak performance.

  2. 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.

  3. Identification of Immunodominant Responses to the Plasmodium falciparum Antigens PfUIS3, PfLSA1 and PfLSAP2 in Multiple Strains of Mice

    PubMed Central

    Longley, Rhea J.; Halbroth, Benedict R.; Ewer, Katie J.; Hill, Adrian V. S.; Spencer, Alexandra J.

    2015-01-01

    Malaria, caused by the Plasmodium parasite, remains a serious global public health concern. A vaccine could have a substantial impact on eliminating this disease, alongside other preventative measures. We recently described the development of three novel, viral vectored vaccines expressing either of the antigens PfUIS3, PfLSA1 and PfLSAP2. Each vaccination regimen provided high levels of protection against chimeric parasite challenge in a mouse model, largely dependent on CD8+ T cells. In this study we aimed to further characterize the induced cellular immune response to these vaccines. We utilized both the IFNγ enzyme-linked immunosorbent spot assay and intracellular cytokine staining to achieve this aim. We identified immunodominant peptide responses for CD4+ and CD8+ T cells for each of the antigens in BALB/c, C57BL/6 and HLA-A2 transgenic mice, creating a useful tool for researchers for subsequent study of these antigens. We also compared these immunodominant peptides with those generated from epitope prediction software, and found that only a small proportion of the large number of epitopes predicted by the software were identifiable experimentally. Furthermore, we characterized the polyfunctionality of the induced CD8+ T cell responses. These findings contribute to our understanding of the immunological mechanisms underlying these protective vaccines, and provide a useful basis for the assessment of these and related vaccines as clinical constructs. PMID:26659715

  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. PMID:27608999

  5. Current status of the no-core Monte Carlo shell model

    NASA Astrophysics Data System (ADS)

    Abe, Takashi; Maris, Pieter; Otsuka, Takaharu; Shimizu, Noritaka; Utsuno, Yutaka; Vary, James

    2014-09-01

    One of the major challenges in nuclear physics is to describe nuclear structure and reactions from first principles. Such ab initio calculations have recently become feasible for nuclear many-body systems beyond A = 4 due to the development of quantum many-body methods along with the rapid evolution of computational technologies. The No-Core Shell Model (NCSM) is one of the relevant ab initio methods and is now available for the study of nuclear structure and reactions in the p-shell nuclei. As the NCSM treats all the nucleons on an equal footing, computational demands for the calculations explode exponentially as the number of nucleons increases. In order to access heavier nuclei, many efforts have been devoted to the NCSM calculations. Among them, the no-core Monte Carlo shell model (MCSM) is one of the promising candidates to go beyond the Full Configuration Interaction method. Here, we report recent developments of the MCSM and its application to the no-core calculations. No-Core Full Configuration results are also presented as full ab initio solutions extrapolated to the infinite basis limit. We compare the NCFC results with the MCSM results extrapolated to the infinite basis space.

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

    NASA Technical Reports Server (NTRS)

    Cornell, Matthew

    1987-01-01

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

  7. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

  9. 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.

  10. 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.

  11. 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.

  12. 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

  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. Steady-state temperature distribution in living tissue modeled as cylindrical shells.

    NASA Technical Reports Server (NTRS)

    Shitzer, A.; Chato, J. C.

    1971-01-01

    Closed form, analytical solutions to the problem of steady-state heat transfer in living tissue modeled as cylindrical shells are presented and discussed. These solutions are particularly useful for the study of temperature distributions in the extremities. Metabolic heat generation, conduction, and heat transported by the blood perfusing the tissue are considered in the model. The results demonstrate the important role that the blood stream plays in the transfer of heat inside living tissue. Solutions are also presented for the limiting cases of diminishing blood flow that would occur during vasoconstriction or occlusion of blood by external means.

  15. 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.

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

    PubMed

    2006-01-01

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

  17. Emergence of cluster structures and collectivity within a no-core shell-model framework

    NASA Astrophysics Data System (ADS)

    Launey, K. D.; Dreyfuss, A. C.; Draayer, J. P.; Dytrych, T.; Baker, R.

    2014-12-01

    An innovative symmetry-guided concept, which capitalizes on partial as well as exact symmetries that underpin the structure of nuclei, is discussed. Within this framework, ab initio applications of the theory to light nuclei reveal the origin of collective modes and the emergence a simple orderly pattern from first principles. This provides a strategy for determining the nature of bound states of nuclei in terms of a relatively small fraction of the complete shell-model space, which, in turn, can be used to explore ultra-large model spaces for a description of alpha-cluster and highly deformed structures together with the associated rotations. We find that by using only a fraction of the model space extended far beyond current no-core shell-model limits and a long-range interaction that respects the symmetries in play, the outcome reproduces characteristic features of the low-lying 0+ states in 12 C (including the elusive Hoyle state and its 2+ excitation) and agrees with ab initio results in smaller spaces. This is achieved by selecting those particle configurations and components of the interaction found to be foremost responsible for the primary physics governing clustering phenomena and large spatial deformation in the ground-state and Hoyle-state rotational bands of 12 C. For these states, we offer a novel perspective emerging out of no-core shell-model considerations, including a discussion of associated nuclear deformation, matter radii, and density distribution. The framework we find is also extensible to negative-parity states (e.g., the 3-1 state in 12C) and beyond, namely, to the low-lying 0+ states of 8Be as well as the ground-state rotational band of Ne, Mg, and Si isotopes. The findings inform key features of the nuclear interaction and point to a new insight into the formation of highly-organized simple patterns in nuclear dynamics.

  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. Novel Kinetic Theory of the Classical Isotropic Oscillator Gas, the Flexible Shell Model

    NASA Astrophysics Data System (ADS)

    Schruben, Dale

    2013-12-01

    Ever since Chapman and Enskog first used the hard sphere model to evaluate the collision integral in the Boltzmann equation, more sophisticated models for molecular encounters have been sought. Rotation of molecules in kinetic theory has been pursued with a number of models, such as the spherocylinder or loaded sphere, to account for that aspect. As these efforts continued, more workers started to incorporate quantum mechanics methods in pursuit of solutions to the Boltzmann equation. Progress there with both rotational and vibrational features of molecules has been attained. Until now though, there has been no classical vibration model for molecules in kinetic theory. Far from standard kinetic theory, here a simple classical mechanics isotropic oscillator is combined, through a flexible shell, with the hard sphere model in a full Chapman Enskog procedure. The intent here has been to introduce the model, so items like translational-vibrational coupling have not been included. Still, the results compliment literature.

  20. Deformed shell model results for neutrinoless double beta decay of nuclei in A = 60 - 90 region

    NASA Astrophysics Data System (ADS)

    Sahu, R.; Kota, V. K. B.

    2015-03-01

    Nuclear transition matrix elements (NTME) for the neutrinoless double beta decay (Oνββ or OνDBD) of 70Zn, 80Se and 82Se nuclei are calculated within the framework of the deformed shell model (DSM) based on Hartree-Fock (HF) states. For 70Zn, jj44b interaction in 2p3/2, 1f5/2, 2p1/2 and 1g9/2 space with 56Ni as the core is employed. However, for 80Se and 82Se nuclei, a modified Kuo interaction with the above core and model space are employed. Most of our calculations in this region were performed with this effective interaction. However, jj44b interaction has been found to be better for 70Zn. The above model space was used in many recent shell model (SM) and interacting boson model (IBM) calculations for nuclei in this region. After ensuring that DSM gives good description of the spectroscopic properties of low-lying levels in these three nuclei considered, the NTME are calculated. The deduced half-lives with these NTME, assuming neutrino mass is 1 eV, are 1.1 × 1026, 2.3 × 1027 and 2.2 × 1024 yr for 70Zn, 80Se and 82Se, respectively.

  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. 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…

  4. Nuclear shell model calculations of the effective interaction and other effective operators

    NASA Astrophysics Data System (ADS)

    Thoresen, Michael Joseph

    1997-12-01

    Recent breakthroughs in effective interaction and effective operator techniques allow us to take a new look at this field that has seen limited progress in the past twenty years. A comparison of the old and new techniques will shed some new light on the use of effective interactions and effective operators in shell model calculations of light nuclei. Three different methods of calculating the effective interaction and effective operators are described and compared. A large model-space no-core shell-model calculation for 6Li is used as the basis for comparison. In the no-core calculation all nucleons are active in a model space involving all configurations with energies up to 8/hbar/Omega. The second method is a perturbation expansion for the effective interaction and effective operators, using an inert 4He core and two valence particles. In particular, the electric quadrupole and magnetic dipole operators are studied to determine the effective charges to be used in connection with one- body operators in this shell-model space. The third method is a model-space truncation scheme, which maps operators in a large model space into operators in smaller, truncated model spaces. The effect of going to larger excitation spaces will be examined as well as the convergence trends regarding increases in the excitation space. The results from these three approaches are compared in order to gain new insight into the nature of effective interactions and operators in truncated model spaces. We find that by going to energies of 8/hbar/Omega we can accurately reproduce the experimental values for the binding energy, excitation spectrum, electric quadrupole moment and magnetic dipole moment of 6Li and that there is a definite model-space dependence for these operators. To obtain results similar to the 8/hbar/Omega ones in a truncated 2/hbar/Omega model space we use effective operators and effective charges. Effective charges of approximately 1.1e for the effective proton charge and 0

  5. Model-based failure detection for cylindrical shells from noisy vibration measurements.

    PubMed

    Candy, J V; Fisher, K A; Guidry, B L; Chambers, D H

    2014-12-01

    Model-based processing is a theoretically sound methodology to address difficult objectives in complex physical problems involving multi-channel sensor measurement systems. It involves the incorporation of analytical models of both physical phenomenology (complex vibrating structures, noisy operating environment, etc.) and the measurement processes (sensor networks and including noise) into the processor to extract the desired information. In this paper, a model-based methodology is developed to accomplish the task of online failure monitoring of a vibrating cylindrical shell externally excited by controlled excitations. A model-based processor is formulated to monitor system performance and detect potential failure conditions. The objective of this paper is to develop a real-time, model-based monitoring scheme for online diagnostics in a representative structural vibrational system based on controlled experimental data. PMID:25480059

  6. [Ru(py)4Cl(NO)](PF6)2.0.5H2O: a model system for structural determination and ab initio calculations of photo-induced linkage NO isomers.

    PubMed

    Cormary, Benoît; Malfant, Isabelle; Valade, Lydie; Buron-Le Cointe, Marylise; Buron-Le Cointe, Marylize; Toupet, Loïc; Todorova, Teodora; Delley, Bernard; Schaniel, Dominik; Mockus, Nicholas; Woike, Theo; Fejfarová, Karla; Petrícek, Václav; Dusek, Michal

    2009-10-01

    Structure analysis of ground state (GS) and two light-induced (SI and SII) metastable linkage NO isomers of [Ru(py)4Cl(NO)](PF6)2.0.5H2O is presented. Illumination of the crystal by a laser with lambda = 473 nm at T = 80 K transfers around 92% of the NO ligands from Ru-N-O into the isomeric configuration Ru-O-N (SI). A subsequent irradiation with lambda = 980 nm generates about 48% of the side-on configuration Ru<(N)(O) (SII). Heating to temperatures above 200 K or irradiation with light in the red spectral range transfers both metastable isomers reversibly back to the GS. Photodifference maps clearly show the N-O configurations for both isomers and they could be used to find a proper starting model for subsequent refinements. Both metastable isomers have slightly but significantly different cell parameters with respect to GS. The main structural changes besides the Ru-O-N and RU<(N)(O) linkage are shortenings of the trans Ru-Cl bonds and the equatorial Ru-N bonds. The experimental results are compared with solid-state calculations based on density functional theory (DFT), which reproduce the observed structures with high accuracy concerning bond lengths and angles. The problem of how the different occupancies of SI and GS could affect refinement results was solved by a simulation procedure using the DFT data as starting values. PMID:19767684

  7. Two-Step Photon Absorption Driving the Chemical Reaction in the Model Ruthenium Nitrosyl System [Ru(py)4Cl(NO)](PF6)2·(1)/2H2O.

    PubMed

    Khadeeva, Liya; Kaszub, Wawrzyniec; Lorenc, Maciej; Malfant, Isabelle; Buron-Le Cointe, Marylise

    2016-05-01

    Various systems containing the [ML5NO] molecule, where M = Fe, Ru, ... and L = F, Cl, ..., exhibit switching under continuous light (CW) irradiation between the ground-state nitrosyl (GS), isonitrosyl (MSI), and side-on (MSII) configurations. The metastable populations, however, are often limited to a few percent. The [Ru(py)4Cl(NO)](PF6)2·(1)/2H2O system is thus a remarkable model compound as the GS to MSI transformation is nearly complete in a single crystal. A predominant two-step photon absorption process during GS to MSI switching under blue light is revealed by visible absorption spectroscopy, although a low concentration of the transient species hinders the determination of this process by the structural signature. During the depopulation of MSI, both two-step and direct processes are evidenced under red CW irradiation. Different intermediate visible spectra revealing transient species during GS to MSI and the reverse photochemical processes are discussed in relation to MSII properties. PMID:27054377

  8. Large-scale shell model calculations for structure of Ni and Cu isotopes

    NASA Astrophysics Data System (ADS)

    Tsunoda, Yusuke; Otsuka, Takaharu; Shimizu, Noritaka; Honma, Michio; Utsuno, Yutaka

    2014-09-01

    We study nuclear structure of Ni and Cu isotopes, especially neutron-rich ones in the N ~ 40 region by Monte Carlo shell model (MCSM) calculations in pfg9d5 model space (0f7 / 2 , 1p3 / 2 , 0f5 / 2 , 1p1 / 2 , 0g9 / 2 , 1d5 / 2). Effects of excitation across N = 40 and other gaps are important to describe properties such as deformation, and we include this effects by using the pfg9d5 model space. We can calculate in this large model space without any truncation, as an advantage of MCSM. In the MCSM, a wave function is represented as a linear combination of angular-momentum- and parity-projected deformed Slater determinants. We can study intrinsic shapes of nuclei by using quadrupole deformations of MCSM basis states before projection. In doubly-magic 68Ni, there are oblate and prolate deformed bands as well as the spherical ground state from the calculation. Such shape coexistence can be explained by introducing the mechanism called Type II shell evolution, driven by changes of configurations within the same nucleus mainly due to the tensor force.

  9. 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.

  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. 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.

  12. 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.

  13. 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.

  14. Projected shell model study of yrast states of neutron-deficient odd-mass Pr nuclei

    NASA Astrophysics Data System (ADS)

    Ibáñez-Sandoval, A.; Ortiz, M. E.; Velázquez, V.; Galindo-Uribarri, A.; Hess, P. O.; Sun, Y.

    2011-03-01

    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 Pr125,127,129,131,133 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.

  15. 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.

  16. 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.

  17. Shielded attractive shell model again: resummed thermodynamic perturbation theory for central force potential.

    PubMed

    Reščič, J; Kalyuzhnyi, Y V; Cummings, P T

    2016-10-19

    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. PMID:27545613

  18. Initial testing (stage 1) of the notch inhibitor PF-03084014, by the pediatric preclinical testing program.

    PubMed

    Carol, Hernan; Maris, John M; Kang, Min H; Reynolds, C Patrick; Kolb, E Anders; Gorlick, Richard; Keir, Stephen T; Wu, Jianrong; Kurmasheva, Raushan T; Houghton, Peter J; Smith, Malcolm A; Lock, Richard B; Lyalin, Dmitry

    2014-08-01

    PF-03084014, a γ-secretase inhibitor, was tested against the PPTP in vitro cell line panel (1.0 nM to 10 μM) and against the in vivo xenograft panels (administered orally twice daily on Days 1-7 and 15-21). PF-03084014 demonstrated limited in vitro activity, with no cell line achieving ≥50% inhibition. PF-03084014 induced significant differences in EFS distribution in 14 of 35 (40%) solid tumor xenografts, and 1 of 9 ALL xenografts (which lacked a NOTCH1 mutation), but objective responses were not observed. PF-03084014 demonstrated limited single agent activity in vitro and in vivo against the pediatric preclinical models studied. PMID:24664981

  19. 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.

  20. Light Nuclei in the Framework of the Symplectic 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

    2007-04-02

    A symplectic no-core shell model (Sp-NCSM) is constructed with the goal of extending the ab-initio NCSM to include strongly deformed higher-oscillator-shell configurations and to reach heavier nuclei that cannot be studied currently because the spaces encountered are too large to handle, even with the best of modern-day computers. This goal is achieved by integrating two powerful concepts: the ab-initio NCSM with that of the Sp(3,R) {contains} SU(3) group-theoretical approach. The NCSM uses modern realistic nuclear interactions in model spaces that consists of many-body configurations up to a given number of {h_bar}{Upsilon} excitations together with modern high-performance parallel computing techniques. The symplectic theory extends this picture by recognizing that when deformed configurations dominate, which they often do, the model space can be better selected so less relevant low-lying {h_bar}{Upsilon} configurations yield to more relevant high-lying {h_bar}{Upsilon} configurations, ones that respect a near symplectic symmetry found in the Hamiltonian. Results from an application of the Sp-NCSM to light nuclei are compared with those for the NCSM and with experiment.

  1. 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

  2. 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.

  3. Finite element modeling of conducting shells for eddy current NDE problems using ``impedance-type`` interface conditions

    SciTech Connect

    Badics, Z.; Matsumoto, Yoshihiro; Kojima, Sota; Usui, Yoshihiko; Aoki, Kazuhiko; Nakayasu, Fumio

    1997-03-01

    A 3D finite element scheme is developed to calculate eddy current probe responses (impedance or induced emf changes of coils) due to conducting shells in eddy current NDE (nondestructive evaluation) problems. These problems are related to the eddy current inspection of copper and magnetite deposit zones of steam generator tubing in PWR atomic power plants. The finite element scheme uses impedance interface conditions to model the deposit shells and calculates the probe responses by performing integrals over the shell surfaces, thereby ensuring high accuracy even if the probe signal is very small. Two benchmark arrangements are investigated. One, which has an analytical solution, is a conducting thin plate with an impedance probe. The other is a stainless steel tube with a copper shell attached to its outer surface and scanned by a transmitter-receiver probe. In both problems, the calculated probe responses show good agreement with the analytical and experimental data.

  4. 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.

  5. 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.

  6. 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.

  7. 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).

  8. Inhibition of human megakaryocytopoiesis in vitro by platelet factor 4 (PF4) and a synthetic COOH-terminal PF4 peptide.

    PubMed Central

    Gewirtz, A M; Calabretta, B; Rucinski, B; Niewiarowski, S; Xu, W Y

    1989-01-01

    We report that highly purified human platelet factor 4 (PF4) inhibits human megakaryocytopoiesis in vitro. At greater than or equal to 25 micrograms/ml, PF4 inhibited megakaryocyte colony formation approximately 80% in unstimulated cultures, and approximately 58% in cultures containing recombinant human IL 3 and granulocyte-macrophage colony-stimulating factor. Because PF4 (25 micrograms/ml) had no effect on either myeloid or erythroid colony formation lineage specificity of this effect was suggested. A synthetic COOH-terminal PF4 peptide of 24, but not 13 residues, also inhibited megakaryocyte colony formation, whereas a synthetic 18-residue beta-thromboglobulin (beta-TG) peptide and native beta-TG had no such effect when assayed at similar concentrations. The mechanism of PF4-mediated inhibition was investigated. First, we enumerated total cell number, and examined cell maturation in control colonies (n = 200) and colonies (n = 100) that arose in PF4-containing cultures. Total cells per colony did not differ dramatically in the two groups (6.1 +/- 3.0 vs. 4.2 +/- 1.6, respectively), but the numbers of mature large cells per colony was significantly decreased in the presence of PF4 when compared with controls (1.6 +/- 1.5 vs. 3.9 +/- 2.3; P less than 0.001). Second, by using the human leukemia cell line HEL as a model for primitive megakaryocytic cells, we studied the effect of PF4 on cell doubling time, on the expression of both growth-regulated (H3, p53, c-myc,and c-myb), and non-growth-regulated (beta 2-microglobulin) genes. At high concentrations of native PF4 (50 micrograms/ml), no effect on cell doubling time, or H3 or p53 expression was discerned. In contrast, c-myc and c-myb were both upregulated. These results suggested the PF4 inhibited colony formation by impeding cell maturation, as opposed to cell proliferation, perhaps by inducing expression of c-myc and c-myb. The ability of PF4 to inhibit a normal cell maturation function was then tested

  9. Core-Shell Model of Folding-Unfolding Transitions (UFT) in Proteins

    NASA Astrophysics Data System (ADS)

    Aroutiounian, Svetlana

    2008-03-01

    There are ˜10^N conformations for a protein of length N to sort out randomly in search of lowest free energy state. Can protein folding be simple and fast? Core-shell model introduces principles, proposes mechanisms and scores residues of fast, reversible UFT in protein. According to it, during UFT the realm of intra-residual interactions leads the residue motion. The scaffold of hydrophilic residues forms external shell of unstructured, tube-like protein in unfolded state, just as the hydrophobic residues form internal scaffold -- core, of the protein in folded state. As UFT proceeds, residue slides into lowest-score position permitted by its structure. Model accounts for experimentally observed features of UFT. It is based on three principles: 1) During UFT protein is virtual - its features or structure are inferred only statistically and with limited precision; 2) Mechanism of UFT memory is not longitudinal, but transverse; 3) Native design overrides specific features of residues - the alphabet of amino acids assumes an intrinsic score-function. Per-residue mechanism of UFT is proposed and score-function is described. Difference graphs of transitional score-function and average genome-wide abundance index show that our score-function is the order parameter of UFT in protein and by virtue of being it, reveals transitional key residues. It echoes the multiple-tier and funnel concepts of FEL perspective. Monte Carlo simulations of UFT in myoglobin illustrate the idea.

  10. 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.

  11. 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.

  12. 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

  13. Sudden Lifetime Drop Phenomena and their Effective Cures in PF-ring and PF-AR

    SciTech Connect

    Tanimoto, Yasunori; Honda, Tohru; Uchiyama, Takashi; Nogami, Takashi

    2010-06-23

    In PF-ring and PF-AR, sudden drops in the electron beam lifetime, which are attributed to dust trapping, were frequently observed after extensive renewals of the storage rings. The reduced-lifetime state sometimes lasts for a few hours, and the mitigation of this problem was strongly demanded for stable user operations. Since a major source of dust particles was thought to be a distributed ion pump (DIP), we attempted switching the DIPs off during user operations in both the rings. As a result, occurrence of the lifetime drops was almost completely suppressed during single-bunch mode in PF-ring, while the occurrence frequency was reduced by only 38% in PF-AR. We found that the lifetime drops were sometimes accompanied by a transient increase in the vacuum pressure at some discharge-prone devices. Based on the hypothesis that the harmful dust could be generated by an electric discharge in vacuum, we attempted the conditioning of these devices in PF-AR by storing 25% higher current than usual. By combination of the DIP-OFF operation and the high-current conditioning, the occurrence frequency of the lifetime drops in PF-AR was reduced by no less than 67%.

  14. 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.

  15. 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.

  16. Effective Operators Within the Ab Initio No-Core Shell Model

    SciTech Connect

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

    2004-11-30

    We implement an effective operator formalism for general one- and two-body operators, obtaining results consistent with the no-core shell model (NCSM) wave functions. The Argonne V8' nucleon-nucleon potential was used in order to obtain realistic wave functions for {sup 4}He, {sup 6}Li and {sup 12}C. In the NCSM formalism, we compute electromagnetic properties using the two-body cluster approximation for the effective operators and obtain results which are sensitive to the range of the bare operator. To illuminate the dependence on the range, we employ a Gaussian two-body operator of variable range, finding weak renormalization of long range operators (e.g., quadrupole) in a fixed model space. This is understood in terms of the two-body cluster approximation which accounts mainly for short-range correlations. Consequently, short range operators, such as the relative kinetic energy, will be well renormalized in the two-body cluster approximation.

  17. Description of Charge Radii in Halo Nuclei within the Gamow Shell Model

    SciTech Connect

    Papadimitriou, G.; Michel, N.; Nazarewicz, W.; Ploszajczak, M.; Rotureau, J.

    2009-05-07

    The charge radius of the halo nucleus {sup 6}He is studied within the framework of the Gamow Shell Model (GSM). The charge radius carries information about the size of the neutron halo, the recoil of the core, and the effective interaction between valence nucleons. The motivation for this work stems from the precise measurements of charge radii in {sup 6,8}He, {sup 11}Li, and {sup 11}Be. For these weakly bound nuclei, the proper treatment of the particle continuum turns out to be crucial. The GSM is a tool that can properly account for the coupling of the continuum space (of both resonant and scattering character) with that of the bound states. We use a GSM Hamiltonian written explicitly in intrinsic coordinates. This guarantees that the core recoil effect is properly described and the spurious center-of-mass motion is removed. According to our calculations for {sup 6}He, the charge radius is very sensitive to (i) the halo extent given by the two-neutron separation energy of the system, and (ii) the p{sub 3/2} occupation. In particular, we show that the two-body wave function of halo neutrons in {sup 6}He should contain {approx}91% of a p{sub 3/2} partial wave to reproduce the charge radius. This observation will help us to construct a GSM effective interaction on the interface of p and sd shells that is needed to describe other halo systems.

  18. 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.

  19. 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

  20. 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.

  1. Spatio-kinematic modelling of Abell 65, a double-shelled planetary nebula with a binary central star

    NASA Astrophysics Data System (ADS)

    Huckvale, L.; Prouse, B.; Jones, D.; Lloyd, M.; Pollacco, D.; López, J. A.; O'Brien, T. J.; Sabin, L.; Vaytet, N. M. H.

    2013-09-01

    We present the first detailed spatio-kinematical analysis and modelling of the planetary nebula Abell 65, which is known to host a post-common envelope, binary, central star system. As such, this object is of great interest in studying the link between nebular morphology and central star binarity. [O III]5007 Å and Hα+[N II]6584 Å longslit spectra and imagery of Abell 65 were obtained with the Manchester Échelle Spectrometer on the 2.1-m telescope at the San Pedro Martír Observatory (MES-SPM). Further [O III]5007 Å longslit spectra were obtained with the Ultraviolet and Visual Échelle Spectrograph on the Very Large Telescope (VLT-UVES). These data were used to develop a spatio-kinematical model for the [O III]5007 Å emission from Abell 65. A `best-fitting' model was found by comparing synthetic spectra and images rendered from the model to the data. The model comprises an outer shell and an inner shell, with kinematical ages of 15000 ± 5000 yr kpc-1 and 8000 ± 3000 yr kpc-1, respectively. Both shells have peanut-shaped bipolar structures with symmetry axes at inclinations of (55 ± 10)° (to the line of sight) for the outer shell and (68 ± 10)° for the inner shell. The near alignment between the nebular shells and the binary orbital inclination [of (68 ± 2)°] is strongly indicative that the binary is responsible for shaping the nebula. Abell 65 is one of a growing number of planetary nebulae (seven to date, including Abell 65 itself) for which observations and modelling support the shaping influence of a central binary.

  2. 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,…

  3. Electronic shell model contemplation of the dissociation dynamics of Al 8+: a collision-induced dissociation study

    NASA Astrophysics Data System (ADS)

    Ingólfsson, Oddur; Takeo, Harutoshi; Nonose, Shinji

    1999-10-01

    For the collision-induced dissociation of small cationic aluminum clusters, the release of Al + is known to dominate. An exception is Al 8+, where we find the neutral atom evaporation to be energetically favorable, and to couple strongly with the Al + release. These experimental results are discussed in the frame of the Clemenger-Nilsson electronic shell model. We find the electronic shell model to offer a consistent interpretation of the energy dependence of the dissociation dynamics of Al 8+, if the crucial role of collisional deformation is taken into account.

  4. Application of the line-spring model to a cylindrical shell containing a circumferential or axial part-through crack

    NASA Technical Reports Server (NTRS)

    Delale, F.; Erdogan, F.

    1982-01-01

    The line-spring model developed by Rice and Levy (1972) is used to obtain an approximate solution for a cylindrical shell containing a part-through surface crack. A Reissner type theory is used to account for the effects of the transverse shear deformations, and the stress intensity factor at the deepest penetration point of the crack is tabulated for bending and membrane loading by varying three-dimensionless length parameters of the problem formed from the shell radius, the shell thickness, the crack length, and the crack depth. The upper bounds of the stress intensity factors are provided, and qualitatively the line-spring model gives the expected results in comparison with elasticity solutions.

  5. Absorption spectra of CdSe-ZnS core-shell quantum dots at high photon energies: Experiment and modeling

    NASA Astrophysics Data System (ADS)

    Mukherjee, Amlan; Ghosh, Sandip

    2014-11-01

    Absorption spectra of CdSe-ZnS core-shell quantum dot (QD) ensembles, with average core diameters ranging from 2.6 nm to 7.2 nm have been obtained using both transmission and photoluminescence excitation measurements. In agreement with previous reports, the absorption coefficient at energies ≃1 eV above the effective bandgap increases monotonically as in bulk solids. A simple effective-mass spherical core-shell potential model cannot explain the relatively high absorption at higher energies. The calculated electron and hole radial envelope wavefunctions show asymmetry due to the core-shell structure. It leads to normally symmetry-disallowed transitions acquiring a weak oscillator strength, with their number and strength increasing with energy. A phenomenological model that invokes normally disallowed transitions in general is shown to reproduce the absorption spectrum at higher energies quite well. The oscillator strength scaling factor for such transitions increases with decrease in QD size, consistent with expectations.

  6. 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.

  7. 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.

  8. 0 ν β β -decay of 48Ca in the shell model

    NASA Astrophysics Data System (ADS)

    Senkov, Roman; Horoi, Mihai

    2013-10-01

    We discuss neutrinoless double beta (0 νββ) decay of 48Ca and test the closure approximation, a widely used approach for 0 νββ nuclear matrix element calculations. In the shell model framework we calculate 0 νββ nuclear matrix element of 48Ca using both closure approximations and the nonclosure approach, and we estimate the uncertainties associated with the closure approximation. We also demonstrate that the nonclosure approach can be used to calculate 0 νββ decay rates of heavy nuclei, such 72Ge or 82Se, thus avoiding unmanageable computational costs. The NUCLEI SciDAC collaboration under the DOE grant No. DE-SC0008529 is acknowledged.

  9. Elastic Constants of Superconducting MgB2 from Molecular Dynamics Simulations with Shell Model

    NASA Astrophysics Data System (ADS)

    Guo, Yun-Dong; Chen, Xiang-Rong; Yang, Xiang-Dong; Gou, Qing-Quan

    2005-11-01

    The elastic constants of superconducting MgB2 are calculated using a molecular dynamics method (MD) with shell model. The lattice parameters, five independent elastic constants, equations of state (EOS), Debye temperature, and bulk modulus of MgB2 are obtained. Meanwhile, the dependence of the bulk modulus B, the lattice parameters a and c, and the unit cell volume V on the applied pressure are presented. It is demonstrated that the method introduced here can well reproduce the experimental results with a reasonable accuracy. The project supported by National Natural Science Foundation of China under Grant No. 60436010 and the Scientific Research Foundation for the Returned Overseas Chinese Scholars, the Ministry of Education of China under Grant No. 2004176-6-4

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

    DOE PAGESBeta

    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

  11. The Contribution of the Expanding Shell Test to the Modeling of Elastoplaticity at High Strain Rates

    NASA Astrophysics Data System (ADS)

    Llorca, Fabrice; Buy, Francois

    2002-07-01

    The expanding shell test allows to load a material in the domain of high strain levels while strain rate is about 104s-1. This test submits an hemisphere to a radial expanding free flight, using a pyrotechnic device. The experiment (experimental apparatus, measurementsellipsis) is described with the difficulties encountered for the interpretation of the experimental data. Under some assumptions, the numerical transformation of radial velocities gives indications about the evolution of the strain, stress, strain rate and temperature rise, this last one being related to plastic work. We show how it is possible to associate both analytical and numerical approaches. Numerical simulation of the test is presented in a companion paper (see Buy01). Results obtained for copper, tantalum and TA6V4 are presented. The contribution of this test to the modeling of elastoplastic behavior is discussed and further works are proposed.

  12. 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.

  13. 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.

  14. Description of the proton and neutron radiative capture reactions in the Gamow shell model

    NASA Astrophysics Data System (ADS)

    Fossez, K.; Michel, N.; Płoszajczak, M.; Jaganathen, Y.; Id Betan, R. M.

    2015-03-01

    We formulate the Gamow shell model (GSM) in coupled-channel (CC) representation for the description of proton/neutron radiative capture reactions and present the first application of this new formalism for the calculation of cross sections in mirror reactions 7Be(p ,γ ) 8B and 7Li(n,γ ) 8Li . The GSM-CC formalism is applied to a translationally invariant Hamiltonian with an effective finite-range two-body interaction. Reactions channels are built by GSM wave functions for the ground state 3 /2- and the first excited state 1 /2- of 7Be /7Li and the proton/neutron wave function expanded in different partial waves.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. PF2405, standardized fraction of Scutellaria baicalensis, ameliorates colitis in vitro and in vivo.

    PubMed

    Jiang, Wen-Yi; Seo, Geom Seog; Kim, Youn-Chul; Sohn, Dong Hwan; Lee, Sung Hee

    2015-06-01

    Standardized extraction procedures for herb are as important as their authentication to maintain their quality and ensure their safe use. We had prepared a standardized and purified Scutellaria baicalensis Georgi extract, PF2405, which was enriched with three major components, baicalein, oroxylin A and wogonin. In the present study, we investigated the potential anti-inflammatory effects of PF2405 in vitro and in two different experimental animal models of inflammatory bowel disease. Effect of PF2405 studied in tumor necrosis factor (TNF)-α-induced HT-29 cells in vitro. In vivo experimental colitis models were induced by administration of trinitrobenzene sulfonic acid (TNBS) or dextran sulfate sodium (DSS). PF2405 (50 μg/ml) decreased TNF-α-induced cyclooxygenase (COX)-2 expressions through inhibition of phosphorylation of c-Jun N-terminal kinases and p38 mitogen-activated protein kinase in HT-29 cells. Combination of baicalein (20 μg/ml), oroxylin A (8 μg/ml), and wogonin (2 μg/ml) markedly inhibits TNF-α-induced COX-2 expression when compared with individual components. PF2405 (25 mg/kg b.w.) treatment significantly reduced histopathological severity; suppressed expression of COX-2, TNF-α, and interleukin-1β in TNBS-induced mice. Moreover, PF2405 (25 mg/kg b.w.) has both potent preventive and therapeutic activities in DSS-induced colitis. Collectively, PF2405 shows prominent anti-inflammatory effect that can be used as a new therapeutic approach for intestinal inflammatory disorders. PMID:25577335

  20. 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.

  1. 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.

  2. Panel Stiffener Debonding Analysis using a Shell/3D Modeling Technique

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; Ratcliffe, James G.; Minguet, Pierre J.

    2008-01-01

    A shear loaded, stringer reinforced composite panel is analyzed to evaluate the fidelity of computational fracture mechanics analyses of complex structures. Shear loading causes the panel to buckle. The resulting out -of-plane deformations initiate skin/stringer separation at the location of an embedded defect. The panel and surrounding load fixture were modeled with shell elements. A small section of the stringer foot, web and noodle as well as the panel skin near the delamination front were modeled with a local 3D solid model. Across the width of the stringer fo to, the mixed-mode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with a mixed-mode failure criterion of the graphite/epoxy material. The objective was to study the effect of the fidelity of the local 3D finite element model on the computed mixed-mode strain energy release rates and the failure index.

  3. Panel-Stiffener Debonding and Analysis Using a Shell/3D Modeling Technique

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; Ratcliffe, James G.; Minguet, Pierre J.

    2007-01-01

    A shear loaded, stringer reinforced composite panel is analyzed to evaluate the fidelity of computational fracture mechanics analyses of complex structures. Shear loading causes the panel to buckle. The resulting out-of-plane deformations initiate skin/stringer separation at the location of an embedded defect. The panel and surrounding load fixture were modeled with shell elements. A small section of the stringer foot, web and noodle as well as the panel skin near the delamination front were modeled with a local 3D solid model. Across the width of the stringer foot, the mixed-mode strain energy release rates were calculated using the virtual crack closure technique. A failure index was calculated by correlating the results with a mixed-mode failure criterion of the graphite/epoxy material. The objective was to study the effect of the fidelity of the local 3D finite element model on the computed mixed-mode strain energy release rates and the failure index.

  4. 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

  5. A reduced order model for fluid-structure interaction of thin shell structures conveying fluid for physiological applications

    NASA Astrophysics Data System (ADS)

    Chang, Gary Han; Modarres-Sadeghi, Yahya

    2015-11-01

    In this work, a reduced-order model (ROM) is constructed to study fluid-structure interaction of thin shell structures conveying fluid. The method of snapshot Proper Orthogonal Decomposition (POD) is used to construct the reduced-order bases based on a series of CFD results, which then are improved using a QR-factorization technique to satisfy the various boundary conditions in physiological flow problems. In the process, two sets of POD modes are extracted: those due to the shell wall's motion and those due to the pulsatile flow. The Modal Assurance Criterion (MAC) technique is used for selecting the final POD modes used in the reduced-order model. The structure model is solved by Galerkin's method and the FSI coupling is done by adapting a coupled momentum method. The results show that the dynamic behavior of thin shells conveying fluid is closely related to the distribution of the shell's Gaussian curvature, the existence of imperfections and the physiological flow conditions. This method can effectively construct a computationally efficient FSI model, which allows us to examine a wide range of parameters which exist in real-life physiological problems.

  6. 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.

  7. Shell-model description of the charge form factor and the first excited state in /sup 4/He

    SciTech Connect

    Bevelacqua, J.J.

    1982-09-01

    A /sup 4/He shell-model formalism, including two- and three-body forces, is used to calculate ground and first excited state properties. Inclusion of the three-body force improves the calculated ground state rms radius, ground state form factor, and position of the /sup 4/He first excited state.

  8. Sensitivity analysis of Salmonella enteritidis levels in contaminated shell eggs using a biphasic growth model.

    PubMed

    Latimer, Heejeong K; Jaykus, Lee-Ann; Morales, Roberta A; Cowen, Peter; Crawford-Brown, Douglas

    2002-05-01

    Salmonella enteritidis (SE) is a common foodbome pathogen, the transmission of which is primarily associated with the consumption of contaminated Grade A shell eggs. In order to estimate the level of SE present in raw shell eggs, it is necessary to consider the protective effects of the egg albumin, which effectively inhibits SE growth in a time- and temperature-dependent manner. In this study, a SE growth model was produced by combining two mathematical equations that described both the extended lag phase of SE growth (food component) and a SE growth model (pathogen component). This biphasic growth model was then applied to various egg handling scenarios based on the farm-to-table continuum, including in-line and off-line processing facilities with consideration of key events in production, processing, transportation, and storage. Seasonal effects were also studied. Monte Carlo simulation was used to characterize variability in temperature and time parameter values influencing the level of SE to which individuals are exposed. The total level of SE consumed was estimated under best, most likely, and time-temperature abusive handling scenarios. The model estimated that, in most cases, there was no SE growth in contaminated eggs handled under most likely practices, because 10-70% of the yolk membrane remained intact. Under abusive handling scenarios, complete loss of yolk membrane integrity frequently occurred by the time eggs reach the distribution phase, followed by subsequent SE growth, which was often quite rapid. In general, the effect of season and processing method (in-line vs. off-line) was minimal. Further sensitivity analysis demonstrated that the initial SE contamination level significantly influenced the final exposure levels only under no-abuse or mildly abusive conditions. The results of our study suggest that, for maximum reduction of SE exposure level, cooling strategies should not only focus on the on-farm or processing phases, but should emphasize

  9. 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.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. Neutrinoless double-β decay of 48Ca in the shell model: Closure versus nonclosure approximation

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

    Neutrinoless double-β decay (0νββ) is a unique process that could reveal physics beyond the Standard Model. Essential ingredients in the analysis of 0νββ rates are the associated nuclear matrix elements. Most of the approaches used to calculate these matrix elements rely on the closure approximation. Here we analyze the light neutrino-exchange matrix elements of 48Ca 0νββ decay and test the closure approximation in a shell-model approach. We calculate the 0νββ nuclear matrix elements for 48Ca using both the closure approximation and a nonclosure approach, and we estimate the uncertainties associated with the closure approximation. We demonstrate that the nonclosure approach has excellent convergence properties which allow us to avoid unmanageable computational cost. Combining the nonclosure and closure approaches we propose a new method of calculation for 0νββ decay rates which can be applied to the 0νββ decay rates of heavy nuclei, such as 76Ge or 82Se.

  15. Shell model study on the astrophysical neutron capture of 8Li

    NASA Astrophysics Data System (ADS)

    Ma, Hai-Liang; Dong, Bao-Guo; Yan, Yu-Liang; Zhang, Xi-Zhen

    2012-09-01

    The astrophysical important neutron capture of 8Li is investigated by combining the shell model and potential model. Three effective interactions, SFO, PSDMK2 and PSDWBP are used to calculate the spectroscopic factors and reaction widths. For the resonant capture from 8Li to the first continuum state of 9Li , the three effective interactions give similar neutron partial widths, and they are well compared with the experimental results. However, the calculated photon widths are over 5 times less than the previous estimate. This will make the substantial difference that, at high temperature, the direct capture mechanism still dominates. The calculated capture rates generally agree well with the experimental data. The uncertainty of calculated cross-sections and capture rates mainly results from the different prediction of spectroscopic factors for the three effective interactions. The total neutron capture rates in our calculations are less than 4300 cm3 mole-1 s-1 for T 9 < 5 which confirms that the main reaction flow will proceed through the reaction 8Li ( α, n) 11B in the stellar environments.

  16. Study of Density and Structure of Oxygen Isotopes with the Cluster-Orbital Shell Model Approach

    NASA Astrophysics Data System (ADS)

    Masui, Hiroshi; Kato, Kiyoshi; Ikeda, Kiyomi

    2009-10-01

    We study structure of oxygen isotopes through the analysis of the density and the s-wave contribution. From experiments, the r.m.s.radius of oxygen isotopes has an abrupt increase at ^23O from the empirical A^1/3-low. However, as we have shown with the calculation by using our m-scheme cluster-orbital shell model (COSM) approach, such the abrupt increase can hardly be reproduced only by considering the valence nucleon degree of freedom. In our COSM approach, we construct the core-N Hamiltonian using a semi-microscopic approach by taking into account the Pauli principle for the nucleons in the core. As the nucleon-nucleon potential, we use Volkov No.2 potential. The parameters of the potential are adjusted so as to reproduce the ^16O+2n threshold. Using the potential model described above, however, we obtain the over bound nature as the number of valence nucleon increase. Hence, we perform calculations using slightly weaker potential strength for the valence neutrons so as to reproduce the drip-line at ^24O. In this study, we discuss the density distributions of the isotopes and the contributions of partial waves especially the s-wave.

  17. 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.

  18. 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

  19. 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.

  20. Spectroscopic Modeling of X-pinch Plasmas from Alloy Wires with Cr, Co, and Ni K- and L-shell Radiators

    SciTech Connect

    Ouart, Nicholas; Safronova, Alla; Kantsyrev, Victor; Fedin, Dmitry

    2006-01-05

    X-pinch experiments using conichrome alloy wires were implemented on 1MA COBRA facility at Cornell University. X-ray spectral and imaging data were collected. In particular, the spatially-resolved, time-integrated x-ray line K-shell and L-shell spectra of Cr, Co, and Ni ions from these alloy X-pinches were recorded in one pulse using a mica crystal spectrometer. Non-LTE kinetic models were applied to model these spectra. The results of this modeling are presented and the interpretation of K-shell and L-shell Cr, Co, and Ni as well as L-shell Mo spectra from conichrome alloy X-pinches are discussed.

  1. 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

  2. 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.

  3. Modeling cross L shell impacts of magnetopause shadowing and ULF wave radial diffusion in the Van Allen belts

    NASA Astrophysics Data System (ADS)

    Ozeke, Louis G.; Mann, Ian R.; Turner, Drew L.; Murphy, Kyle R.; Degeling, Alex W.; Rae, I. Jonathan; Milling, David K.

    2014-10-01

    We present simulations of the outer electron radiation belt using a new ULF wave-driven radial diffusion model, including empirical representations of loss due to chorus and plasmaspheric hiss. With an outer boundary condition constrained by in situ electron flux observations, we focus on the impacts of magnetopause shadowing and outward radial diffusion in the heart of the radiation belt. Third invariant conserving solutions are combined to simulate the L shell and time dependence of the differential flux at a fixed energy. Results for the geomagnetically quiet year of 2008 demonstrate not only remarkable cross L shell impacts from magnetopause shadowing but also excellent agreement with the in situ observations even though no internal acceleration source is included in the model. Our model demonstrates powerful utility for capturing the cross-L impacts of magnetopause shadowing with significant prospects for improved space weather forecasting. The potential role of the plasmasphere in creating a third belt is also discussed.

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

    NASA Astrophysics Data System (ADS)

    Koller, Josef; Reeves, Geoffrey; Friedel, Reiner

    More and more radiation belt models are being combined with data using data assimila-tion 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 invari-ants 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 nu-merical integration. Typically a single L* drift shell integration can take on the order of 105 callstoamagneticf ieldmodel.Inaddition, thedrif tshellhastoberecalculatedeveryf ewminutesbecauseei ordersof magnitudesf asterthandirectnumericalintegrationmethods.Ourmethodisbasedonaneuralnetwor calculationwiththeT syganenkoSitnov2005model.T hisnewsurrogatemodelhasapplicationstoreal- timeradiationbeltf orecasting, analysisof datasetsspanningdecadesof observations, andotherspaceweathe

  5. 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.

  6. 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

  7. Shear-lag model of diffusion-induced buckling of core–shell nanowires

    NASA Astrophysics Data System (ADS)

    Li, Yong; Zhang, Kai; Zheng, Bailin; Yang, Fuqian

    2016-07-01

    The lithiation and de-lithiation during the electrochemical cycling of lithium–ion batteries (LIBs) can introduce local deformation in the active materials of electrodes, resulting in the evolution of local stress and strain in the active materials. Understanding the structural degradation associated with lithiation-induced deformation in the active materials is one of the important steps towards structural optimization of the active materials used in LIBs. There are various degradation modes, including swelling, cracking, and buckling especially for the nanowires and nanorods used in LIBs. In this work, a shear-lag model and the theory of diffusion-induced stress are used to investigate diffusion-induced buckling of core–shell nanowires during lithiation. The critical load for the onset of the buckling of a nanowire decreases with the increase of the nanowire length. The larger the surface current density, the less the time is to reach the critical load for the onset of the buckling of the nanowire.

  8. Measurements and modeling of acoustic scattering from partially and completely buried spherical shells

    NASA Astrophysics Data System (ADS)

    Tesei, A.; Maguer, A.; Fox, W. L. J.; Lim, R.; Schmidt, H.

    2002-11-01

    The use of low-frequency sonars (2-15 kHz) is explored to better exploit scattering features of buried targets that can contribute to their detection and classification. Compared to conventional mine countermeasure sonars, sound penetrates better into the sediment at these frequencies, and the excitation of structural waves in the targets is enhanced. The main contributions to target echo are the specular reflection, geometric diffraction effects, and the structural response, with the latter being particularly important for man-made elastic objects possessing particular symmetries such as bodies of revolution. The resonance response derives from elastic periodic phenomena such as surface circumferential waves revolving around the target. The GOATS'98 experiment, conducted jointly by SACLANTCEN and MIT off the island of Elba, involved controlled monostatic measurements of scattering by spherical shells which were partially and completely buried in sand, and suspended in the water column. The analysis mainly addresses a study of the effect of burial on the dynamics of backscattered elastic waves, which can be clearly identified in the target responses, and is based on the comparison of measurements with appropriate scattering models. Data interpretation results are in good agreement with theory. This positive result demonstrates the applicability of low-frequency methodologies based on resonance analysis to the classification of buried objects. copyright 2002 Acoustical Society of America.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Circulation-dominated solar shell dynamo models with positive alpha-effect

    NASA Astrophysics Data System (ADS)

    Küker, M.; Rüdiger, G.; Schultz, M.

    2001-07-01

    We present shell dynamo models for the solar convection zone with positive alpha -effect in the northern hemisphere and a meridional circulation which is directed equatorward at the bottom and poleward at the top of the convection zone. Two different rotation patterns are used: a simple variation of the rotation rate with depth and the rotation law as derived by helioseismology. Depending on the Reynolds number associated with the meridional flow, the dynamo shows a whole ``zoo'' of solutions. For sufficiently small values of the eddy magnetic diffusivity (1011 cm2/s), field advection by the meridional flow becomes dominant and even changes the character of the butterfly diagram. Flow amplitudes of a few m/s are then sufficient to turn the originally ``wrong'' butterfly diagram into a ``solar-type'' butterfly diagram, i.e. with activity belts drifting equatorward. This effect can easily be demonstrated with a super-rotation law (partial \\Omegaega /partial r > 0) with $Omega ega$ independent of the latitude. The situation is much more complicated for the ``real'' rotation law with the observed strong negative shear at high latitudes. With zero meridional flow, oscillating solutions are found without any latitudinal migration of the toroidal field belts, neither poleward nor equatorward. Small but finite flow amplitudes cause the magnetic field belts to drift poleward while in case of fast flow they move equatorward.

  14. Cluster form factor calculation in the ab initio no-core shell model

    SciTech Connect

    Navratil, Petr

    2004-11-01

    We derive expressions for cluster overlap integrals or channel cluster form factors for ab initio no-core shell model (NCSM) wave functions. These are used to obtain the spectroscopic factors and can serve as a starting point for the description of low-energy nuclear reactions. We consider the composite system and the target nucleus to be described in the Slater determinant (SD) harmonic oscillator (HO) basis while the projectile eigenstate to be expanded in the Jacobi coordinate HO basis. This is the most practical case. The spurious center of mass components present in the SD bases are removed exactly. The calculated cluster overlap integrals are translationally invariant. As an illustration, we present results of cluster form factor calculations for <{sup 5}He vertical bar{sup 4}He+n>, <{sup 5}He vertical bar{sup 3}H+d>, <{sup 6}Li vertical bar{sup 4}He+d>, <{sup 6}Be vertical bar{sup 3}He+{sup 3}He>, <{sup 7}Li vertical bar{sup 4}He+{sup 3}H>, <{sup 7}Li vertical bar{sup 6}Li+n>, <{sup 8}Be vertical bar{sup 6}Li+d>, <{sup 8}Be vertical bar{sup 7}Li+p>, <{sup 9}Li vertical bar{sup 8}Li+n>, and <{sup 13}C vertical bar{sup 12}C+n>, with all the nuclei described by multi-({Dirac_h}/2{pi}){omega} NCSM wave functions.

  15. 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.

  16. Application of the line-spring model to a cylindrical shell containing a circumferential or axial part-through crack

    NASA Technical Reports Server (NTRS)

    Delale, F.; Erdogan, F.

    1981-01-01

    An approximate solution was obtained for a cylindrical shell containing a part-through surface crack. It was assumed that the shell contains a circumferential or axial semi-elliptic internal or external surface crack and was subjected to a uniform membrane loading or a uniform bending moment away from the crack region. A Reissner type theory was used to account for the effects of the transverse shear deformations. The stress intensity factor at the deepest penetration point of the crack was tabulated for bending and membrane loading by varying three dimensionless length parameters of the problem formed from the shell radius, the shell thickness, the crack length, and the crack depth. The upper bounds of the stress intensity factors are provided by the results of the elasticity solution obtained from the axisymmetric crack problem for the circumferential crack, and that found from the plane strain problem for a circular ring having a radial crack for the axial crack. The line-spring model gives the expected results in comparison with the elasticity solutions. Results also compare well with the existing finite element solution of the pressurized cylinder containing an internal semi-elliptic surface crack.

  17. 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.

  18. 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

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

    SciTech Connect

    Thornhill, J. W.; Chong, Y. K.; Apruzese, J. P.; Davis, J.; Clark, R. W.; Giuliani, J. L. Jr.; 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.

    2007-06-15

    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 12 cm diameter nozzle with and without a central gas jet on axis. Typical peak drive currents and implosion times in these experiments were {approx}6 MA and {approx}230 ns. 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

  20. Determination of antiplasmodial activity and binding affinity of selected natural products towards PfTrxR and PfGR.

    PubMed

    Munigunti, Ranjith; Becker, Katja; Brun, Reto; Calderón, Angela I

    2013-08-01

    In our study, the binding affinities of selected natural products towards PfTrxR, PfGR, human TrxR and human GR were determined using a mass spectrometry based ligand binding assay. The in vitro antimalarial activity and cytotoxicity of these ligands were also determined. Catharanthine, 11-(OH)-coronaridine, hernagine, vobasine and hispolone displayed antiplasmodial activity against PfK1 (IC50 = 0.996-3.63 microg/mL). PMID:24079187

  1. Characterization of native PfABCG protein in Plasmodium falciparum.

    PubMed

    Edaye, Sonia; Georges, Elias

    2015-09-15

    The Plasmodium falciparum genome encodes 16 members of ABC proteins, with one member of the ABCG subfamily (PfABCG). Analysis of PfABCG amino acid sequence shows equal sequence identity to hsABCG1 and G2. Using N-terminal directed antibody against a recombinant fragment of PfABCG, we show that PfABCG migrates with an apparent molecular mass of 65KDa polypeptide on SDS-PAGE. PfABCG is expressed in all four stages of the parasite erythrocytic life cycle, with lower and higher expression in ring and late trophozoite stages, respectively. The protein localizes to the plasma membrane and a novel spherical structure beneath the cell membrane. Similar localization is also observed in gametocytes where PfABCG is highly expressed. Analysis of PfABCG genomic sequences for polymorphisms and changes in protein expression between different strains of P. falciparum revealed identical nucleotide sequence among the different strains, but variable protein expression. PfABCG expression is least in HB3 chloroquine sensitive strain, while higher expression levels are seen in other chloroquine-sensitive and -resistant strains, with highest levels of expression in 7G8. The differential expression of PfABCG in three chloroquine-sensitive strains (e.g., 3D7, HB3 and D10) predicts the sensitivity of the different strains to ketotifen, an anti-histaminic drug, whereby low expression is associated with decreased sensitivity to ketotifen. Taken together, the results in this report provide the first description of native PfABCG expression and subcellular localization in asexual stages of the parasite and its localization in gametocytes. It remains to be determined if PfABCG is functionally equivalent to mammalian ABCG1, ABCG2 or both. PMID:26239803

  2. 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.

  3. 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.

  4. 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.

  5. A coupled global-local shell model with continuous interlaminar shear stresses

    NASA Astrophysics Data System (ADS)

    Gruttmann, F.; Wagner, W.; Knust, G.

    2016-02-01

    In this paper layered composite shells subjected to static loading are considered. The theory is based on a multi-field functional, where the associated Euler-Lagrange equations include besides the global shell equations formulated in stress resultants, the local in-plane equilibrium in terms of stresses and a constraint which enforces the correct shape of warping through the thickness. Within a four-node element the warping displacements are interpolated with layerwise cubic functions in thickness direction and constant shape throughout the element reference surface. Elimination of stress, warping and Lagrange parameters on element level leads to a mixed hybrid shell element with 5 or 6 nodal degrees of freedom. The implementation in a finite element program is simple. The computed interlaminar shear stresses are automatically continuous at the layer boundaries. Also the stress boundary conditions at the outer surfaces are fulfilled and the integrals of the shear stresses coincide exactly with the independently interpolated shear forces without introduction of further constraints. The essential feature of the element formulation is the fact that it leads to usual shell degrees of freedom, which allows application of standard boundary or symmetry conditions and computation of shell structures with intersections.

  6. Core shell particles consisting of cobalt ferrite and silica as model ferrofluids [CoFe 2O 4-SiO 2 core shell particles

    NASA Astrophysics Data System (ADS)

    Wagner, Joachim; Autenrieth, Tina; Hempelmann, Rolf

    2002-11-01

    Nearly monodisperse core shell particles consisting of a magnetic core of cobalt ferrite (CoFe 2O 4) and a shell of silica (SiO 2) are prepared via a modified Stöber synthesis. The core shell structure is confirmed by TEM, the size distribution of the whole particles was determined by means of photon correlation spectroscopy and small angle X-ray scattering. Due to charged surface groups of the silica shells and the magnetic moments of the cores, these particles interact both via a screened Coulomb potential and via a magnetic dipole potential. If stray ions are removed in the presence of a mixed bed ion exchanger, the electrostatic repulsion induces colloidal crystallisation. The lattice constant is influenced by the interaction with a magnetic field gradient, indicated by a blue shift of the Laue spots towards increasing field gradient.

  7. 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.

  8. 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.

  9. 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.

  10. Plasmodium falciparum Expressing Domain Cassette 5 Type PfEMP1 (DC5-PfEMP1) Bind PECAM1

    PubMed Central

    Berger, Sanne S.; Turner, Louise; Wang, Christian W.; Petersen, Jens E. V.; Kraft, Maria; Lusingu, John P. A.; Mmbando, Bruno; Marquard, Andrea M.; Bengtsson, Dominique B. A. C.; Hviid, Lars; Nielsen, Morten A.; Theander, Thor G.; Lavstsen, Thomas

    2013-01-01

    Members of the Plasmodium falciparum Erythrocyte Membrane protein 1 (PfEMP1) family expressed on the surface of malaria-infected erythrocytes mediate binding of the parasite to different receptors on the vascular lining. This process drives pathologies, and severe childhood malaria has been associated with the expression of particular subsets of PfEMP1 molecules. PfEMP1 are grouped into subtypes based on upstream sequences and the presence of semi-conserved PfEMP1 domain compositions named domain cassettes (DCs). Earlier studies have indicated that DC5-containing PfEMP1 (DC5-PfEMP1) are more likely to be expressed in children with severe malaria disease than in children with uncomplicated malaria, but these PfEMP1 subtypes only dominate in a relatively small proportion of the children with severe disease. In this study, we have characterised the genomic sequence characteristic for DC5, and show that two genetically different parasite lines expressing DC5-PfEMP1 bind PECAM1, and that anti-DC5-specific antibodies inhibit binding of DC5-PfEMP1-expressing parasites to transformed human bone marrow endothelial cells (TrHBMEC). We also show that antibodies against each of the four domains characteristic for DC5 react with native PfEMP1 expressed on the surface of infected erythrocytes, and that some of these antibodies are cross-reactive between the two DC5-containing PfEMP1 molecules tested. Finally, we confirm that anti-DC5 antibodies are acquired early in life by individuals living in malaria endemic areas, that individuals having high levels of these antibodies are less likely to develop febrile malaria episodes and that the antibody levels correlate positively with hemoglobin levels. PMID:23874884

  11. Optical model potential for deuteron elastic scattering with 1 p -shell nuclei

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Pang, D. Y.; Lou, J. L.

    2016-07-01

    A set of global optical potential parameters, DA1p, for deuterons with the 1 p -shell nuclei is obtained by simultaneously fitting 67 sets of experimental data of deuteron elastic scattering from 6Li, 9Be, 10B, 11B, 12C, 13C, 14N, 16O, and 18O with incident energies between 5.25 and 170 MeV. DA1p improves the description of the deuteron elastic scattering from the 1 p -shell nuclei with respect to the existing systematic deuteron potentials and can give satisfactory reproduction of the experimental data with radiative nuclei such as 9Li, 10Be, 14C, and 14O.

  12. 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.

  13. 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.

  14. 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.

  15. 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…

  16. 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

  17. 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.

  18. 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

  19. 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

  20. 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

  1. Microbial contamination in inoculated shell eggs: I. Effects of layer strain and hen age.

    PubMed

    Jones, D R; Anderson, K E; Curtis, P A; Jones, F T

    2002-05-01

    Three Ottawa control strains and a current commercial laying stock were reared and housed under identical environmental and management conditions. Eggs were collected from each strain when hens were 32, 45, 58, 71, and 84 wk of age. The eggs were inoculated with Salmonella enteritidis (SE), Pseudomonasfluorescens (PF), or a combination of the two. After storage at 26 C, bacterial counts were obtained from the exterior shell surfaces (rinse), air cell, egg contents, and shell structure. SE and PF survived at different rates on the shell surface with as much as a 1 log difference during a given collection period. Egg content counts tended to be higher than eggshell counts in PF, whereas the opposite was true for SE. These data suggest that PF is a primary invader of eggs that is more capable of contaminating egg contents through the shell membranes than SE. The PF and SE data suggest that bacterial contamination of air cells, shells, and egg contents is more easily achieved in eggs from older hens than from younger hens. There were also differences between the strains. Control Strain 10 consistently maintained a lower level of contamination for both organisms in each sampling location. The overall results of this study suggest that genetic selection has altered the ability of eggs to resist microbial contamination and that screening for microbial integrity should be considered in the selection process among the laying egg breeders. PMID:12033423

  2. 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

  3. 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.

  4. 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.

  5. 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.

  6. The Sort on Radioactive Waste Type model: A method to sort single-shell tanks into characteristic groups. Revision 1

    SciTech Connect

    Hill, J.G.; Simpson, B.C.

    1994-08-01

    The Sort on Radioactive Waste Type (SORWT) model presents a method to categorize Hanford Site single-shell tanks (SSTs) into groups of tanks expected to exhibit similar chemical and physical characteristics based on their major waste types and processing histories. This model has identified 29 different waste-type groups encompassing 135 of the 149 SSTs and 93% of the total waste volume in SSTs. The remaining 14 SSTs and associated wastes could not be grouped according to the established criteria and were placed in an ungrouped category. This letter report will detail the assumptions and methodologies used to develop the SORWT model and present the grouping results. Included with this report is a brief description and approximate compositions of the single-shell tank waste types. In the near future, the validity of the predicted groups will be statistically tested using analysis of variance of characterization data obtained from recent (post-1989) core sampling and analysis activities. In addition, the SORWT model will be used to project the nominal waste characteristics of entire waste type groups that have some recent characterization data available. These subsequent activities will be documented along with these initial results in a comprehensive, formal PNL report cleared for public release by September 1994.

  7. Observation of high-spin states in the N=84 nucleus 152Er and comparison with shell-model calculations

    NASA Astrophysics Data System (ADS)

    Kuhnert, A.; Alber, D.; Grawe, H.; Kluge, H.; Maier, K. H.; Reviol, W.; Sun, X.; Beck, E. M.; Byrne, A. P.; Hübel, H.; Bacelar, J. C.; Deleplanque, M. A.; Diamond, R. M.; Stephens, F. S.

    1992-08-01

    High-spin states in 152Er have been populated through the 116Sn(40Ar,4n)152Er reaction. Prompt and delayed γ-γ-γ-t and γ-e-t coincidences have been measured. Levels and transitions are assigned up to an excitation energy of 15 MeV and spin and parities up to 28+ at 9.7 MeV. A new isomer [t1/2=11(1) ns] has been observed at 13.4 MeV. The results are discussed in comparison with neighboring nuclei and with shell-model calculations.

  8. 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

  9. MVC Shell

    SciTech Connect

    Benz, Zachary; McCain, Jonathan; Bauer, Travis

    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, where all plugins operate within the context of the underlying MVC Framework environment.

  10. MVC Shell

    Energy Science and Technology Software Center (ESTSC)

    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

  11. 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

  12. HPC-enabled Nuclear Structure Studies - Description and Applications of the Symmetry-adapted No-Core Shell Model

    NASA Astrophysics Data System (ADS)

    Draayer, J. P.; Dytrych, T.; Launey, K. D.; Dreyfuss, A. C.; Langr, D.

    2015-02-01

    By exploiting symmetries that enable the accounting of vital collective correlations in nuclei, we achieve significantly reduced dimensions for equivalent ultra-large model spaces, and hence resolve the scale explosion problem in nuclear structure calculations, i.e, the explosive growth in computational resource demands with increasing number of particles and size of the spaces in which they reside. As a result, we provide - with the help of High Performance Computing (HPC) resources - first solutions for selected benchmark calculations with remarkable findings of large-deformation and low-spin dominance in low-lying nuclear states. In the framework of a complementary symmetry-adapted study, one is able, facilitated by symmetry-preserving pieces of the inter-nucleon interaction, to accommodate unprecedented shell-model spaces critical to capture the physics governing the Hoyle state in 12C, thereby addressing a 60-year-old puzzle on the emergence of cluster substructures within a no-core shell model framework. All of these findings underline the key role of symmetries in nuclear structure studies.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. Shell-model relationships between negative-parity states of even-mass A=30 40 nuclei

    NASA Astrophysics Data System (ADS)

    van der Merwe, J. H.; Saayman, R.; van der Merwe, A. J.

    1983-09-01

    Simple relationships between the negative-parityenergy level structures of the even-mass nuclei pairs A=30 and 32, 34 and 40, 34 and 36, 34 and 38, 40 and 38 are established along lines similar to the well-known Pandya transformation between the particle-hole spectrum of40K and the particle-particle spectrum of38Cl. The relationships are generated within the framework of the jj-coupling shell model, using standard Racah algebra, and no assumption is made about the physical nature of the nuclear two-body interaction. Candidates for the 1 f 7/2 and 2 p 3/2 multiplets are selected on the basis of their measured spectroscopic strengths in l=3 or 1 single-particle transfer reactions with due allowance for member fragmentation and mixing between the two configurations in terms of the calculation of spectroscopic-strength weighted centroids. The calculated correlated energy spectra are discussed with reference to the results of previous interaction-dependent shell-model calculations, especially those employing the modified surface delta interaction. Consideration is also given to uncertain or ambiguous spin and parity assignments, deduced two-body interaction matrix elements, and the isospin T=0 and 1 and single-particle 1 f 7/2 and 2 p 3/2 splittings.

  19. Optical model potential of A =3 projectiles for 1 p -shell nuclei

    NASA Astrophysics Data System (ADS)

    Pang, D. Y.; Dean, W. M.; Mukhamedzhanov, A. M.

    2015-02-01

    A set of global optical potential parameters describing the A =3 particles (3He and 3H ) elastic scattering from 1 p -shell nuclei, HT 1 p , is obtained by simultaneously fitting 118 sets of experimental data of 3He and 3H elastic scattering from 9Be,10B ,11B ,12C ,13C ,14C ,14N ,15N ,16O ,17O , and 18O with incident energies from 4 ≤E ≤118.5 MeV and 24 sets of elastic scattering data with the 6Li and 7Li targets from 3 ≤E ≤44 MeV. HT 1 p is found to be superior to GDP08 [D. Y. Pang, P. Roussel-Chomaz, H. Savajols, R. L. Varner, and R. Wolski, Phys. Rev. C 79, 024615 (2009), 10.1103/PhysRevC.79.024615], which is a systematic potential designed for the heavy-target region, in the reproduction of the angular distributions of elastic scattering cross sections of 3He and 3H from 1 p -shell nuclei at energies below 100 MeV. At energies above 100 MeV, GDP08 is found to be better than HT1p.

  20. Shelled opisthobranchs.

    PubMed

    Mikkelsen, Paula M

    2002-01-01

    In his contributions to the monographic series "Manual of Conchology", Henry Pilsbry reviewed the subgroup Tectibranchiata, comprising those opisthobranch snails that (at least primitively) still possess a shell (Pilsbry, 1894-1896). Exemplified by the Cephalaspidea (bubble shells), others included in this group at Pilsbry's time and since were Anaspidea (sea hares) and the shelled members of Notaspidea (side-gilled slugs) and Sacoglossa (leaf slugs). Pilsbry (and others since his time) considered tectibranchs to be the "root stock" from which more advanced gastropods such as Nudibranchia and Pulmonata were derived. Tectibranch systematics is firmly based on conchology and most species were originally described from empty shells. However, soft-anatomical characters were acknowledged quite early on as equally important in tectibranchs, due to the reduction of their shells and their evolutionary proximity to unshelled gastropods. Today, Tectibranchiata is not recognized as a natural taxon although the word "tectibranch" (like "prosobranch" and "mesogastropod") continues in vernacular use. Shelled opisthobranchs have been redistributed among various taxa, including several new ones--the unresolved basal opisthobranchs (Architectibranchia) and the "lower Heterobranchia", an enigmatic and currently much-studied group of families considered basal to all of Euthyneura (Opisthobranchia and landsnails (Pulmonata)). Despite their polyphyletic status, shelled opisthobranchs remain important subjects in evolutionary studies of gastropods--as the most basal members of nearly every opisthobranch clade and as organisms with mosaic combinations of primitive and derived features within evolutionary "trends" (e.g., loss of the shell, detorsion, concentration of the nervous system, ecological specialization, etc.). Although they play a pivotal role, the shelled opisthobranchs have received minimal attention in more comprehensive gastropod studies, often relegated to token

  1. Nanocrystalline p-hydroxyacetanilide (paracetamol) and gold core-shell structure as a model drug deliverable organic-inorganic hybrid nanostructure

    NASA Astrophysics Data System (ADS)

    Das, Subhojit; Paul, Anumita; Chattopadhyay, Arun

    2013-09-01

    We report on the generation of core-shell nanoparticles (NPs) having an organic nanocrystal (NC) core coated with an inorganic metallic shell, being dispersed in aqueous medium. First, NCs of p-hydroxyacetanilide (pHA)--known also as paracetamol--were generated in an aqueous medium. Transmission electron microscopy (TEM) and powder X-ray diffraction (XRD) evidenced the formation of pHA NCs and of their crystalline nature. The NCs were then coated with Au to form pHA@Au core-shell NPs, where the thickness of the Au shell was on the order of nanometers. The formation of Au nanoshell--surrounding pHA NC--was confirmed from its surface plasmon resonance (SPR) band in the UV/Vis spectrum and by TEM measurements. Further, on treatment of the core-shell particles with a solution comprising NaCl and HCl (pH < 3), the Au shell could be dissolved, subsequently releasing pHA molecules. The dissolution of Au shell was marked by a gradual diminishing of its SPR band, while the release of pHA molecules in the solution was confirmed from TEM and FTIR studies. The findings suggest that the core-shell NP could be hypothesized to be a model for encapsulating drug molecules, in their crystalline forms, for slow as well as targeted release.We report on the generation of core-shell nanoparticles (NPs) having an organic nanocrystal (NC) core coated with an inorganic metallic shell, being dispersed in aqueous medium. First, NCs of p-hydroxyacetanilide (pHA)--known also as paracetamol--were generated in an aqueous medium. Transmission electron microscopy (TEM) and powder X-ray diffraction (XRD) evidenced the formation of pHA NCs and of their crystalline nature. The NCs were then coated with Au to form pHA@Au core-shell NPs, where the thickness of the Au shell was on the order of nanometers. The formation of Au nanoshell--surrounding pHA NC--was confirmed from its surface plasmon resonance (SPR) band in the UV/Vis spectrum and by TEM measurements. Further, on treatment of the core-shell

  2. 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.

  3. On the evolution of the momentarily static radiation free data in the Apostolatos-Thorne cylindrical shell model

    NASA Astrophysics Data System (ADS)

    Gleiser, Reinaldo J.; Barraco, Daniel E.

    2014-03-01

    In this paper we study the evolution of the ‘Momentarily Static and Radiation Free’ (MSRF) initial data for the Apostolatos-Thorne cylindrical shell model. After briefly reviewing the equations of motion, the definition of the MSRF initial data and of its relation to the static solution that corresponds to the given conserved intrinsic parameters of the shell, we show that for MSRF data the initial acceleration of the shell is always directed towards the static radius. We analyse in detail the relation between the parameters characterizing the configuration corresponding to the initial data and those for the assumed final static configuration, and show that, once the appropriate properties of the solutions of the cylindrical wave equation are taken into account, there is a priori no conflict for any choice of initial MSRF data, in contrast with some recent results of Nakao, Ida and Kurita. To obtain a more detailed description of the evolution we consider the case where the problem can be analysed in the linear approximation, and show that the evolution is stable in all cases. The possible form of the approach to the final static configuration is also analysed. We find that this approach is very slow, with an inverse logarithmic dependence on time at fixed radius. Given the absence of analytic solutions for the problem, we introduce a numerical computation procedure that allows us to visualize the explicit form of the evolution of the shell and the gravitational field up to large times. The results are in agreement with the qualitative behaviour conjectured by Apostolatos and Thorne, with an initial damped oscillatory stage, but we find that these oscillations are not about the final static radius but rather about a position that approaches slowly that of the static final state, as indicated by our analysis. We also include one appendix, where we review some properties of the solutions of the cylindrical wave equation, and prove the existence of solutions with

  4. 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

  5. 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.

  6. SPH modeling of fluid-solid interaction for dynamic failure analysis of fluid-filled thin shells

    NASA Astrophysics Data System (ADS)

    Caleyron, F.; Combescure, A.; Faucher, V.; Potapov, S.

    2013-05-01

    This work concerns the prediction of failure of a fluid-filled tank under impact loading, including the resulting fluid leakage. A water-filled steel cylinder associated with a piston is impacted by a mass falling at a prescribed velocity. The cylinder is closed at its base by an aluminum plate whose characteristics are allowed to vary. The impact on the piston creates a pressure wave in the fluid which is responsible for the deformation of the plate and, possibly, the propagation of cracks. The structural part of the problem is modeled using Mindlin-Reissner finite elements (FE) and Smoothed Particle Hydrodynamics (SPH) shells. The modeling of the fluid is also based on an SPH formulation. The problem involves significant fluid-structure interactions (FSI) which are handled through a master-slave-based method and the pinballs method. Numerical results are compared to experimental data.

  7. 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.

  8. Nonlinear nonlocal vibration of embedded DWCNT conveying fluid using shell model

    NASA Astrophysics Data System (ADS)

    Ghorbanpour Arani, A.; Zarei, M. Sh.; Amir, S.; Khoddami Maraghi, Z.

    2013-02-01

    In this work nonlinear vibration of double-walled carbon nanotube (DWCNT) embedded in an elastic medium and subjected to an axial fluid flow (incompressible and non-viscose) is investigated. The elastic medium is simulated using Pasternak foundation in which adjacent layer interactions are assumed to have been coupled by van der Waals (VdW) force. The higher-order equation of motion is derived using Hamilton's principle and nonlocal-nonlinear shell theory. Galerkin and averaging methods are adopted to solve the higher-order governing equations. Elastic medium, small scale parameter, velocity and fluid density are taken into account to calculate the effects of axial and circumferential wave numbers in this study. Results reveal that increasing circumferential wave number, leads to enhanced nonlinearity. Critical flow velocities of DWCNT are inversely related to the non-local parameter (e0a), so that increase in the later lead to reduced critical flow velocities.

  9. The Structure of Plasmodium falciparum Blood-Stage 6-Cys Protein Pf41 Reveals an Unexpected Intra-Domain Insertion Required for Pf12 Coordination.

    PubMed

    Parker, Michelle L; Peng, Fangni; Boulanger, Martin J

    2015-01-01

    Plasmodium falciparum is an apicomplexan parasite and the etiological agent of severe human malaria. The complex P. falciparum life cycle is supported by a diverse repertoire of surface proteins including the family of 6-Cys s48/45 antigens. Of these, Pf41 is localized to the surface of the blood-stage merozoite through its interaction with the glycophosphatidylinositol-anchored Pf12. Our recent structural characterization of Pf12 revealed two juxtaposed 6-Cys domains (D1 and D2). Pf41, however, contains an additional segment of 120 residues predicted to form a large spacer separating its two 6-Cys domains. To gain insight into the assembly mechanism and overall architecture of the Pf12-Pf41 complex, we first determined the 2.45 Å resolution crystal structure of Pf41 using zinc single-wavelength anomalous dispersion. Structural analysis revealed an unexpected domain organization where the Pf41 6-Cys domains are, in fact, intimately associated and the additional residues instead map predominately to an inserted domain-like region (ID) located between two β-strands in D1. Notably, the ID is largely proteolyzed in the final structure suggesting inherent flexibility. To assess the contribution of the ID to complex formation, we engineered a form of Pf41 where the ID was replaced by a short glycine-serine linker and showed by isothermal titration calorimetry that binding to Pf12 was abrogated. Finally, protease protection assays showed that the proteolytic susceptibility of the ID was significantly reduced in the complex, consistent with the Pf41 ID directly engaging Pf12. Collectively, these data establish the architectural organization of Pf41 and define an essential role for the Pf41 ID in promoting assembly of the Pf12-Pf41 heterodimeric complex. PMID:26414347

  10. 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

  11. 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

  12. 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

  13. Shell structure of potassium isotopes deduced from their magnetic moments

    NASA Astrophysics Data System (ADS)

    Papuga, J.; Bissell, M. L.; Kreim, K.; Barbieri, C.; Blaum, K.; De Rydt, M.; Duguet, T.; Garcia Ruiz, R. F.; Heylen, H.; Kowalska, M.; Neugart, R.; Neyens, G.; Nörtershäuser, W.; Rajabali, M. M.; Sánchez, R.; Smirnova, N.; Somà, V.; Yordanov, D. T.

    2014-09-01

    Background: Ground-state spins and magnetic moments are sensitive to the nuclear wave function, thus they are powerful probes to study the nuclear structure of isotopes far from stability. Purpose: Extend our knowledge about the evolution of the 1/2+ and 3/2+ states for K isotopes beyond the N =28 shell gap. Method: High-resolution collinear laser spectroscopy on bunched atomic beams. Results: From measured hyperfine structure spectra of K isotopes, nuclear spins, and magnetic moments of the ground states were obtained for isotopes from N =19 up to N =32. In order to draw conclusions about the composition of the wave functions and the occupation of the levels, the experimental data were compared to shell-model calculations using SDPF-NR and SDPF-U effective interactions. In addition, a detailed discussion about the evolution of the gap between proton 1d3/2 and 2s1/2 in the shell model and ab initio framework is also presented. Conclusions: The dominant component of the wave function for the odd-A isotopes up to K45 is a π1d3/2-1 hole. For K47,49, the main component originates from a π2s1/2-1 hole configuration and it inverts back to the π1d3/2-1 in K51. For all even-A isotopes, the dominant configuration arises from a π1d3/2-1 hole coupled to a neutron in the ν1f7/2 or ν2p3/2 orbitals. Only for K48, a significant amount of mixing with π2s1/2-1⊗ν(pf) is observed leading to a Iπ=1- ground state. For K50, the ground-state spin-parity is 0- with leading configuration π1d3/2-1⊗ν2p3/2-1.

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

    DOE PAGESBeta

    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.

  15. Asymptotic equivalence of the shell-model and local-density descriptions of Coulombic systems confined by radially symmetric potentials in two and three dimensions.

    PubMed

    Cioslowski, Jerzy; Albin, Joanna

    2013-09-21

    Asymptotic equivalence of the shell-model and local-density (LDA) descriptions of Coulombic systems confined by radially symmetric potentials in two and three dimensions is demonstrated. Tight upper bounds to the numerical constants that enter the LDA expressions for the Madelung energy are derived and found to differ by less than 0.5% from the previously known approximate values. Thanks to the variational nature of the shell-model approximate energies, asymptotic expressions for other properties, such as mean radial positions of the particles and number densities, are also obtained. A conjecture that generalizes the present results to confining potentials with arbitrary symmetries is formulated. PMID:24070281

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1991-02-01

    Shell-model calculations are described for A=204-212 nuclei. These calculations use the Kuo-Herling realistic effective interactions for hole states and particle states relative to 208Pb. 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 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 211-212Pb, 210Po, 212Ra, 210Bi, and 212At 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.

  9. 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.

  10. 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.

  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. 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.

  13. Shell Games.

    ERIC Educational Resources Information Center

    Atkinson, Bill

    1982-01-01

    The author critiques the program design and educational aspects of the Shell Games, a program developed by Apple Computer, Inc., which can be used by the teacher to design objective tests for adaptation to specific assessment needs. (For related articles, see EC 142 959-962.) (Author)

  14. 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.

  15. 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

  16. 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.

  17. An investigation and modelling of energy dissipation through sloshing in an egg-shaped shell

    NASA Astrophysics Data System (ADS)

    Marsh, Adam P.; Prakash, Mahesh; Eren Semercigil, S.; Turan, Özden F.

    2011-12-01

    Sloshing absorbers work on a similar principle to that of tuned vibration absorbers. A sloshing absorber consists of a tank, partially filled with liquid. The absorber is attached to the structure to be controlled, and relies on the structure's motion to excite the liquid. Consequently, a sloshing wave is produced at the liquid free surface possessing energy dissipative qualities to suppress excessive vibrations of the structure. The hen's egg has evolved to dissipate vibration energy rapidly to protect its contents. An uncooked hen's egg's capability to rapidly dissipate potentially harmful energy, is due to sloshing of its contents. Hence, there may be lessons to learn from the natural design of an egg which could be employed in the engineered (artificial) design of a sloshing absorber. The primary objective of this work is to identify the physical events responsible for effective energy dissipation in an eggshell, at different fill levels. A secondary objective is to demonstrate the suitability of the Smoothed Particle Hydrodynamics (SPH) method for numerical predictions in such an unusually shaped shell. Through numerical predictions, the possibility of modifying the egg's design to further encourage dissipation patterns is explored briefly. Simple experiments are also presented to check the validity of the numerical predictions.

  18. Modeling of exchange bias in the antiferromagnetic (core)/ferromagnetic (shell) nanoparticles with specialized shapes

    NASA Astrophysics Data System (ADS)

    Hu, Yong; Liu, Yan; Du, An

    2011-11-01

    Zero-field-cooled (ZFC) and field-cooled (FC) hysteresis loops of egg- and ellipsoid-shaped nanoparticles with inverted ferromagnetic (FM)-antiferromagnetic (AFM) core-shell morphologies are simulated using a modified Monte Carlo method, which takes into account both the thermal fluctuations and energy barriers during the rotation of spin. Pronounced exchange bias (EB) fields and reduced coercivities are obtained in the FC hysteresis loops. The analysis of the microscopic spin configurations allows us to conclude that the magnetization reversal occurs by means of the nucleation process during both the ZFC and FC hysteresis branches. The nucleation takes place in the form of "sparks" resulting from the energy competition and the morphology of the nanoparticle. The appearance of EB in the FC hysteresis loops is only dependent on that the movements of "sparks" driven by magnetic field at both branches of hysteresis loops are not along the same axis, which is independent of the strength of AFM anisotropy. The tilt of "spark" movement with respect to the symmetric axis implies the existence of additional unidirectional anisotropy at the AFM/FM interfaces as a consequence of the surplus magnetization in the AFM core, which is the commonly accepted origin of EB. Our simulations allow us to clarify the microscopic mechanisms of the observed EB behavior, not accessible in experiments.

  19. 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.

  20. Micromagnetic Modeling of Reversal Nucleation in Core/Shell Exchange-Spring Structures

    NASA Astrophysics Data System (ADS)

    Jiang, J. S.; Bader, Sam

    2015-03-01

    Nanocomposite exchange-spring permanent magnet materials promise superior performance and are a potential solution to the supply criticality in rare earth elements. The nucleation of magnetization reversal in cylindrical and spherical soft core/hard shell exchange-spring structures has been investigated by solving the linearized Brown's equation perturbatively, and has been verified with numerical simulations. Accounting for the magnetostatic self-interaction field leads to a modification to the proposed quasi-coherent ``bulging'' mode of nucleation for small core sizes. The modified curling mode, where the magnetization configuration is vortex-like and flux-closed, becomes favored at large core sizes. The mode crossover occurs at a core diameter of approximately twice the exchange length for the cylindrical geometry. Since flux-closure allows magnetic elements to be densely packed without affecting the nucleation field, a potential direction for improving permanent magnet materials is to induce the modified curling mode by creating a soft-cylinder-in-hard-matrix exchange-spring microstructure. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division.

  1. Rhizoxin, 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...

  2. 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.

  3. 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.}

  4. The Sort on Radioactive Waste Type model: A method to sort single-shell tanks into characteristic groups

    SciTech Connect

    Hill, J.G.; Simpson, B.C.

    1994-04-01

    The Sort on Radioactive Waste Type (SORWT) model presents a method to categorize Hanford Site single-shell tanks (SSTs) into groups of tank expected to exhibit similar chemical and physical characteristics based on their major waste types and processing histories. This model has identified 29 different waste-type groups encompassing 135 of the 149 SSTs and 93% of the total waste volume in SSTs. The remaining 14 SSTs and associated wastes could not be grouped according to the established criteria and were placed in an ungrouped category. This letter report will detail the assumptions and methodologies used to develop the SORWT model and present the grouping results. In the near future, the validity of the predicted groups will be statistically tested using analysis of variance of characterization data obtained from recent (post-1989) core sampling and analysis activities. In addition, the SORWT model will be used to project the nominal waste characteristics of entire waste type groups that have some recent characterization data available. These subsequent activities will be documented along with these initial results in a comprehensive, formal PNL report cleared for public release by September 1994.

  5. 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.

  6. 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.

  7. Effect of 1alpha-hydroxyvitamin D3 and egg-shell calcium on bone metabolism in ovariectomized osteoporotic model rats.

    PubMed

    Hirasawa, T; Omi, N; Ezawa, I

    2001-01-01

    Egg-shell calcium (Ca) is one of the effective Ca sources for bone metabolism. In the present study, we investigated whether egg-shell Ca had similar effects compared with calcium carbonate (CaCO3) when vitamin D3 (1alpha(OH)D3) treatment was given to an osteoporotic rat model. In both 1alpha(OH)D3-supplemented and -unsupplemented rats, the bone mineral density (BMD) of the lumber spine in the vitamin-supplemented group increased significantly compared with the unsupplemented group. In a Ca balance study, there were also significant differences in intestinal Ca absorption, urinary Ca and fecal Ca between the vitamin-supplemented and -unsupplemented groups. These results show that egg-shell Ca could have similar effects to CaCO3 on bone metabolism. In contrast with CaCO3, vitamin D3 supplementation did not significantly increase serum Ca levels in the egg-shell Ca group; however, the mechanism of Ca absorption is still unclear. Our results suggest that egg-shell Ca may be an effective nutrient in Ca metabolism for people treated with vitamin D3. PMID:11281164

  8. Quantum phase transition in the spherical mean-field plus quadrupole-quadrupole and pairing model in a single-j shell

    NASA Astrophysics Data System (ADS)

    Li, Bo; Pan, Feng; Draayer, J. P.

    2016-04-01

    The quantum-phase-transitional behavior of the spherical shell-model mean field plus the geometric quadrupole-quadrupole and standard pairing model within a single-j shell is analyzed in detail. Various quantities, such as low-lying energy levels, some typical energy ratios, the overlaps of the excited states with those of the corresponding limiting cases, B (E 2 ) values and electric quadrupole moments of some low-lying states and their ratios, as functions of the control parameter of the model in a j =15 /2 shell are calculated as an example, in which only a crossover occurs due to the Pauli exclusion. The results show that there are noticeable changes within the crossover region of the rotation-like to the pair-excitation (superconducting) phase transition, especially in the half-filling case. As an application to realistic nuclear systems, a chain of isotones 212Rn-213Fr-214Ra-215Ac is chosen to be described by the model with valence protons in the 1 h9 /2 shell. As far as the low-lying energy levels, the experimentally observed B (E 2 ) values, and the electric quadrupole moment within the yrast band are concerned, these nuclei seem fitted reasonably well. The results indicate that these nuclei are all within the rotation-like to the pair-excitation phase transition near the crossover point.

  9. 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.

  10. MODELING THE MULTI-WAVELENGTH EMISSION OF THE SHELL-TYPE SUPERNOVA REMNANT RX J1713.7-3946

    SciTech Connect

    Yuan Qiang; Bi Xiaojun; Liu Siming; Fan Zhonghui; Fryer, Christopher L.

    2011-07-10

    Emission mechanisms of the shell-type supernova remnant (SNR) RX J1713.7-3946 are studied with multi-wavelength observational data from the radio, X-ray, GeV {gamma}-ray, and TeV {gamma}-ray bands. A Markov Chain Monte Carlo method is employed to explore the high-dimensional model parameter space systematically. Three scenarios for the {gamma}-ray emission are investigated: the leptonic, the hadronic, and a hybrid. Thermal emission from the background plasma is also included to constrain the gas density, assuming ionization equilibrium, and a 2{sigma} upper limit of about 0.03 cm{sup -3} is obtained as far as thermal energies account for a significant fraction of the dissipated kinetic energy of the SNR shock. Although systematic errors dominate the {chi}{sup 2} of the spectral fit of all models, we find that (1) the leptonic model has the best constrained model parameters, whose values can be easily accommodated with a typical supernova, but gives a relatively poor fit to the TeV {gamma}-ray data; (2) the hybrid scenario has one more parameter than the leptonic one and improves the overall spectral fit significantly; and (3) the hadronic one, which has three more parameters than the leptonic model, gives the best fit to the overall spectrum with relatively poorly constrained model parameters and very hard spectra of accelerated particles. The uncertainties of the model parameters decrease significantly if the spectral indices of accelerated electrons and protons are the same. The hybrid and hadronic models also require an energy input into high-energy protons, which seems to be too high compared with typical values for a supernova explosion. Further investigations are required to reconcile these observations with SNR theories.

  11. 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

  12. 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

  13. Multiprotein complex between the GPI-anchored CyRPA with PfRH5 and PfRipr is crucial for Plasmodium falciparum erythrocyte invasion

    PubMed Central

    Reddy, K. Sony; Amlabu, Emmanuel; Pandey, Alok K.; Mitra, Pallabi; Chauhan, Virander S.; Gaur, Deepak

    2015-01-01

    Erythrocyte invasion by Plasmodium falciparum merozoites is a highly intricate process in which Plasmodium falciparum reticulocyte binding-like homologous protein 5 (PfRH5) is an indispensable parasite ligand that binds with its erythrocyte receptor, Basigin. PfRH5 is a leading blood-stage vaccine candidate because it exhibits limited polymorphisms and elicits potent strain-transcending parasite neutralizing antibodies. However, the mechanism by which it is anchored to the merozoite surface remains unknown because both PfRH5 and the PfRH5-interacting protein (PfRipr) lack transmembrane domains and GPI anchors. Here we have identified a conserved GPI-linked parasite protein, Cysteine-rich protective antigen (CyRPA) as an interacting partner of PfRH5-PfRipr that tethers the PfRH5/PfRipr/CyRPA multiprotein complex on the merozoite surface. CyRPA was demonstrated to be GPI-linked, localized in the micronemes, and essential for erythrocyte invasion. Specific antibodies against the three proteins successfully detected the intact complex in the parasite and coimmunoprecipitated the three interacting partners. Importantly, full-length CyRPA antibodies displayed potent strain-transcending invasion inhibition, as observed for PfRH5. CyRPA does not bind with erythrocytes, suggesting that its parasite neutralizing antibodies likely block its critical interaction with PfRH5-PfRipr, leading to a blockade of erythrocyte invasion. Further, CyRPA and PfRH5 antibody combinations produced synergistic invasion inhibition, suggesting that simultaneous blockade of the PfRH5–Basigin and PfRH5/PfRipr/CyRPA interactions produced an enhanced inhibitory effect. Our discovery of the critical interactions between PfRH5, PfRipr, and the GPI-anchored CyRPA clearly defines the components of the essential PfRH5 adhesion complex for P. falciparum erythrocyte invasion and offers it as a previously unidentified potent target for antimalarial strategies that could abrogate formation of the crucial

  14. Evaluation of selective gamma-secretase inhibitor PF-03084014 for its antitumor efficacy and gastrointestinal safety to guide optimal clinical trial design.

    PubMed

    Wei, Ping; Walls, Marlena; Qiu, Ming; Ding, Richard; Denlinger, Robert H; Wong, Anthony; Tsaparikos, Kosta; Jani, Jitesh P; Hosea, Natilie; Sands, Michelle; Randolph, Sophia; Smeal, Tod

    2010-06-01

    Aberrant regulation of Notch signaling has been implicated in tumorigenesis. Proteolytic release of the Notch intracellular domain (NICD) by gamma-secretase plays a key role in Notch-dependent nuclear signaling. gamma-Secretase is an attractive pharmaceutical target for therapeutic intervention in cancer. We describe the potent antitumor effects of PF-03084014, a small molecule that is a reversible, noncompetitive, and selective gamma-secretase inhibitor. The ability of PF-03084014 to inhibit gamma-secretase activity was shown by the reduction of endogenous NICD levels and by the downregulation of Notch target genes Hes-1 and cMyc in the T-cell acute lymphoblastic leukemia (T-ALL) cell line HPB-ALL. PF-03084014 caused cell growth inhibition of several T-ALL cell lines via cell cycle arrest and induction of apoptosis. PF-03084014 treatment also resulted in robust NICD reduction in HBP-ALL xenograft models. Broad antitumor efficacy at well-tolerated dose levels was observed in six Notch-dependent models. Additional mechanism-of-action studies showed inhibition of tumor cell proliferation and induction of apoptosis in HPB-ALL tumors, suggesting that the antitumor activity of PF-03084014 may be mediated by its direct effects on tumor cell growth or survival. Further studies on PF-03084014-induced gastrointestinal toxicity identified an intermittent dosing schedule that displayed reduced body weight loss and sustained antitumor efficacy. We also showed that glucocorticoids abrogated PF-03084014-induced gastrointestinal toxicity and delayed administration of glucocorticoids did not compromise its protection effect. Collectively, the results show that inhibition of Notch signaling by PF-03084014 while minimizing gastrointestinal toxicity presents a promising approach for development of therapies for Notch receptor-dependent cancers. This compound is being investigated for the treatment of T-ALL and advanced solid tumors in phase I clinical trials. PMID:20530712

  15. Motivational Distortion on 16 PF Primaries by Male Felons.

    ERIC Educational Resources Information Center

    Wallbrown, Fred H.; And Others

    1989-01-01

    Investigated motivational distortion using the 16 Personality Factor Questionnaire (16 PF) for male (n=331) criminal offenders. Results indicated that ego-strength, free-floating anxiety, ability to bind anxiety, boldness, dominance, emotional sensitivity and suspiciousness contributed most to the motivational distortion scale predictions.…

  16. 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

  17. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    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.

  19. 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

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

    PubMed

    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 E(1/2), 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. Temporal stability of magic-number metal clusters: beyond the shell closing model

    NASA Astrophysics Data System (ADS)

    Desireddy, Anil; Kumar, Santosh; Guo, Jingshu; Bolan, Michael D.; Griffith, Wendell P.; Bigioni, Terry P.

    2013-02-01

    The anomalous stability of magic-number metal clusters has been associated with closed geometric and electronic shells and the opening of HOMO-LUMO gaps. Despite this enhanced stability, magic-number clusters are known to decay and react in the condensed phase to form other products. Improving our understanding of their decay mechanisms and developing strategies to control or eliminate cluster instability is a priority, to develop a more complete theory of their stability, to avoid studying mixtures of clusters produced by the decay of purified materials, and to enable technology development. Silver clusters are sufficiently reactive to facilitate the study of the ambient temporal stability of magic-number metal clusters and to begin to understand their decay mechanisms. Here, the solution phase stability of a series of silver:glutathione (Ag:SG) clusters was studied as a function of size, pH and chemical environment. Cluster stability was found to be a non-monotonic function of size. Electrophoretic separations showed that the dominant mechanism involved the redistribution of mass toward smaller sizes, where the products were almost exclusively previously known cluster sizes. Optical absorption spectra showed that the smaller clusters evolved toward the two most stable cluster sizes. The net surface charge was found to play an important role in cluster stabilization although charge screening had no effect on stability, contrary to DLVO theory. The decay mechanism was found to involve the loss of Ag+ ions and silver glutathionates. Clusters could be stabilized by the addition of Ag+ ions and destabilized by either the addition of glutathione or the removal of Ag+ ions. Clusters were also found to be most stable in near neutral pH, where they had a net negative surface charge. These results provide new mechanistic insights into the control of post-synthesis stability and chemical decay of magic-number metal clusters, which could be used to develop design principles

  4. The ALK/ROS1 inhibitor PF-06463922 overcomes primary resistance to crizotinib in ALK-driven neuroblastoma

    PubMed Central

    Infarinato, Nicole R.; Park, Jin H.; Krytska, Kateryna; Ryles, Hannah T.; Sano, Renata; Szigety, Katherine M.; Li, Yimei; Zou, Helen Y.; Lee, Nathan V.; Smeal, Tod; Lemmon, Mark A.; Mossé, Yael P.

    2015-01-01

    Neuroblastomas (NBs) harboring activating point mutations in Anaplastic Lymphoma Kinase (ALK) are differentially sensitive to the ALK inhibitor crizotinib, with certain mutations conferring intrinsic crizotinib resistance. To overcome this clinical obstacle, our goal was to identify inhibitors with improved potency that can target intractable ALK variants such as F1174L. We find that PF-06463922 has high potency across ALK variants, and inhibits ALK more effectively than crizotinib in vitro. Most importantly, PF-06463922 induces complete tumor regression in both crizotinib-resistant and sensitive xenograft mouse models of NB, as well as in PDXs harboring the crizotinib-resistant F1174L or F1245C mutations. These studies demonstrate that PF-06463922 has the potential to overcome crizotinib resistance, and exerts unprecedented activity as a single targeted agent against F1174L and F1245C ALK-mutated xenograft tumors, while also inducing responses in a R1275Q xenograft model. Taken together, these results provide the rationale to move PF-06463922 into clinical trials for treatment of patients with ALK-mutated NB. PMID:26554404

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

    PubMed

    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 Ca(2+) 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

  6. 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

  7. 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.

  8. Abnormal PfEMP1/knob display on Plasmodium falciparum-infected erythrocytes containing hemoglobin variants: fresh insights into malaria pathogenesis and protection

    PubMed Central

    Fairhurst, Rick M.; Bess, Cameron D.; Krause, Michael A.

    2012-01-01

    Hemoglobin (Hb) variants are associated with reduced risk of life-threatening Plasmodium falciparum malaria syndromes, including cerebral malaria and severe malarial anemia. Despite decades of research, the mechanisms by which common Hb variants – sickle HbS, HbC, α-thalassemia, fetal HbF – protect African children against severe and fatal malaria have not been fully elucidated. In vitro experimental and epidemiological data have long suggested that Hb variants do not confer malaria protection by restricting the growth of parasites in red blood cells (RBCs). Recently, four Hb variants were found to impair cytoadherence, the binding of P. falciparum-infected RBCs (PfRBCs) to microvascular endothelial cells (MVECs), a centrally important event in both parasite survival and malaria pathogenesis in humans. Impaired cytoadherence is associated with abnormal display of P. falciparum erythrocyte membrane protein 1 (PfEMP1), the parasite’s major cytoadherence ligand and virulence factor, on the surface of host RBCs. We propose a model in which Hb variants allow parasites to display relatively low levels of PfEMP1, sufficient for sequestering PfRBCs in microvessels and avoiding their clearance from the bloodstream by the spleen. By preventing the display of high levels of PfEMP1, Hb variants may weaken the binding of PfRBCs to MVECs, compromising their ability to activate endothelium and initiate the downstream microvascular events that drive the pathogenesis of malaria. PMID:22634344

  9. 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.

  10. 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.

  11. Kinetics and quantitative modelling of coupled dissolution/precipitation reactions of lead bearing solutions interacting with aragonitic shells.

    NASA Astrophysics Data System (ADS)

    Bucca, M.; Cubillas, P.; Dietzel, M.; Köhler, S. J.

    2009-04-01

    Elevated lead concentrations in surface and groundwater may cause serious health problems for aquatic biota and humans. Several processes are known for the removal of lead (Pb) from the aqueous solutions. In a previous study carried out by Cubillas et al. (2005) cadmium uptake using aragonite surfaces has been studied. The mechanism involved was a dissolution-precipitation happening concurrently and demonstrated aragonite's potential as metal sorbent. Further studies demonstrated a similar efficiency of aragonite surfaces in presence of other selected metals as lead (Pb), zinc (Zn) and cobalt (Co) (Köhler et al., 2007). Before optimizing such a process more a detailed study of the kinetic effects is necessary. In the present study we focused on the kinetics of the coupled precipitation/dissolution process for lead removal from polluted soils and waters by biogenic aragonitic carbonate (CaCO3) shell surfaces according to the following Eq. 1: CaCO3 + Pb2+ = PbCO3 + Ca2+ . (Eq. 1) This reaction has been investigated at fixed experimental conditions using synthetic model systems in batch and single pass flow through and fluidized bed reactors that allowed quantifying the kinetics of the process of metal carbonate formation. The chemical parameters pH, alkalinity, temperature, pCO2, and total ion concentration were followed during several hours. The reaction kinetics was successfully modelled using the geochemical code PHREEQC (Parkhurst, 1998) using the Plummer-Wigley-Parkhurst equation for both the dissolution and precipitation process. The precipitated lead bearing solid phases were characterized mineralogically. Potential applications of this study will be discussed. Cubillas, P., Köhler, S. J., Prieto, M., Causserand, C., Oelkers, E.H., 2005. How do mineral coatings affect dissolution rates? An experimental study of coupled CaCO3 dissolution-CdCO3 precipitation. Geochimica et Cosmochimica Acta 69, Issue 23, 5459-5476. Köhler, S.J., Cubillas, P., Rodriguez

  12. Finite element modeling of mitral leaflet tissue using a layered shell approximation

    PubMed Central

    Ratcliffe, Mark B.; Guccione, Julius M.

    2012-01-01

    The current study presents a finite element model of mitral leaflet tissue, which incorporates the anisotropic material response and approximates the layered structure. First, continuum mechanics and the theory of layered composites are used to develop an analytical representation of membrane stress in the leaflet material. This is done with an existing anisotropic constitutive law from literature. Then, the concept is implemented in a finite element (FE) model by overlapping and merging two layers of transversely isotropic membrane elements in LS-DYNA, which homogenizes the response. The FE model is then used to simulate various biaxial extension tests and out-of-plane pressure loading. Both the analytical and FE model show good agreement with experimental biaxial extension data, and show good mutual agreement. This confirms that the layered composite approximation presented in the current study is able to capture the exponential stiffening seen in both the circumferential and radial directions of mitral leaflets. PMID:22971896

  13. 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.

  14. 49 CFR 178.358-4 - Construction of Specification 21PF-1B overpacks.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 3 2011-10-01 2011-10-01 false Construction of Specification 21PF-1B overpacks... Construction of Specification 21PF-1B overpacks. (a) Each Specification 21PF-1 overpack for which construction...-1B must be of stainless steel as shown on the drawings referred to in paragraph (a) of this section....

  15. 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...

  16. 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

  17. 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

  18. Identification of the minimal binding region of a Plasmodium falciparum IgM binding PfEMP1 domain

    PubMed Central

    Semblat, Jean-Philippe; Ghumra, Ashfaq; Czajkowsky, Daniel M.; Wallis, Russell; Mitchell, Daniel A.; Raza, Ahmed; Rowe, J.Alexandra

    2015-01-01

    Binding of host immunoglobulin is a common immune evasion mechanism demonstrated by microbial pathogens. Previous work showed that the malaria parasite Plasmodium falciparum binds the Fc-region of human IgM molecules, resulting in a coating of IgM on the surface of infected erythrocytes. IgM binding is a property of P. falciparum strains showing virulence-related phenotypes such as erythrocyte rosetting. The parasite ligands for IgM binding are members of the diverse P. falciparum Erythrocyte Membrane Protein One (PfEMP1) family. However, little is known about the amino acid sequence requirements for IgM binding. Here we studied an IgM binding domain from a rosette-mediating PfEMP1 variant, DBL4ζ of TM284var1, and found that the minimal IgM binding region mapped to the central region of the DBL domain, comprising all of subdomain 2 and adjoining parts of subdomains 1 and 3. Site-directed mutagenesis of charged amino acids within subdomain 2, predicted by molecular modelling to form the IgM binding site, showed no marked effect on IgM binding properties. Overall, this study identifies the minimal IgM binding region of a PfEMP1 domain, and indicates that the existing homology model of PfEMP1-IgM interaction is incorrect. Further work is needed to identify the specific interaction site for IgM within the minimal binding region of PfEMP1. PMID:26094597

  19. 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.

  20. Deformed shell model results for neutrinoless positron double beta decay of nuclei in the A = 60-90 region

    NASA Astrophysics Data System (ADS)

    Sahu, R.; Srivastava, P. C.; Kota, V. K. B.

    2013-09-01

    Nuclear transition matrix elements (NTME) for neutrinoless positron double beta decay (0νβ+β+ and 0νβ+EC) of 64Zn, 74Se, 78Kr and 84Sr nuclei, which are in the A = 60-90 region, are calculated within the framework of the deformed shell model (DSM) based on Hartree-Fock states. For 64Zn, GXPF1A interaction in 1f7/2, 2p3/2, 1f5/2 and 2p1/2 space with 40Ca as the core is employed. Similarly for 74Se, 78Kr and 84Sr nuclei, 56Ni is taken as the inert core employing a modified Kuo interaction in 2p3/2, 1f5/2, 2p1/2 and 1g9/2 space. After ensuring that the DSM gives a good description of the spectroscopic properties of low-lying levels in the four nuclei considered, the NTME are calculated. The half-lives deduced with these NTME, assuming the neutrino mass is 1 eV, are smallest for 78Kr with the half-life for β+EC decay being ˜1027 yr. For all others, the half-lives are in the range of ˜1028-1029 yr.

  1. Finite-time singularities and flow regularization in a hydromagnetic shell model at extreme magnetic Prandtl numbers

    NASA Astrophysics Data System (ADS)

    Nigro, G.; Carbone, V.

    2015-07-01

    Conventional surveys on the existence of singularities in fluid systems for vanishing dissipation have hitherto tried to infer some insight by searching for spatial features developing in asymptotic regimes. This approach has not yet produced a conclusive answer. One of the difficulties preventing us from getting a definitive answer is the limitations of direct numerical simulations which do not yet have a high enough resolution so far as to properly describe spatial fine structures in asymptotic regimes. In this paper, instead of searching for spatial details, we suggest seeking a principle, that would be able to discriminate between singular or not-singular behavior, among the integral and purely dynamical properties of a fluid system. We investigate the singularities developed by a hydromagnetic shell model during the magnetohydrodynamic turbulent cascade. Our results show that when the viscosity is equal to the magnetic diffusivity (unit magnetic Prandtl number) singularities appear in a finite time. A complex behavior is observed at extreme magnetic Prandtl numbers. In particular, the singularities persist in the limit of vanishing viscosity, while a complete regularization is observed in the limit of vanishing diffusivity. This dynamics is related to differences between the magnetic and the kinetic energy cascades towards small scales. Finally a comparison between the three-dimensional and the two-dimensional cases leads to conjecture that the existence of singularities may be related to the conservation of different ideal invariants.

  2. Structures in 9,10Be and 10B studied with the tensor-optimized shell model

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

    We study the structures of ^{9,10}Be and ^{10}B with the tensor-optimized shell model (TOSM) using an effective interaction based on the bare nucleon-nucleon interaction AV8^'. The tensor correlation is treated in TOSM using the full space of 2p2h configurations including high-momentum components. The short-range correlation is treated with the unitary correlation operator method. It is found that the level orders of the low-lying states of ^{9,10}Be and ^{10}B are entirely reproduced. For ^9Be, ground band states are located at relatively higher energies than the experiments, which indicates missing α clustering correlation in these states as seen in the case of ^8Be. In addition, the tensor force gives a larger attraction for T=1/2 states than for T=3/2 ones for ^9Be. The level order of the three nuclei is found to be sensitive to the presence of the tensor force in comparison with the results using the Minnesota effective interaction without the tensor force.

  3. Core-shell nanostructured catalysts.

    PubMed

    Zhang, Qiao; Lee, Ilkeun; Joo, Ji Bong; Zaera, Francisco; Yin, Yadong

    2013-08-20

    Novel nanotechnologies have allowed great improvements in the syn-thesis of catalysts with well-controlled size, shape, and surface properties. Transition metal nanostructures with specific sizes and shapes, for instance, have shown great promise as catalysts with high selectivities and relative ease of recycling. Researchers have already demonstrated new selective catalysis with solution-dispersed or supported-metal nanocatalysts, in some cases applied to new types of reactions. Several challenges remain, however, particularly in improving the structural stability of the catalytic active phase. Core-shell nanostructures are nanoparticles encapsulated and protected by an outer shell that isolates the nanoparticles and prevents their migration and coalescence during the catalytic reactions. The synthesis and characterization of effective core-shell catalysts has been at the center of our research efforts and is the focus of this Account. Efficient core-shell catalysts require porous shells that allow free access of chemical species from the outside to the surface of nanocatalysts. For this purpose, we have developed a surface-protected etching process to prepare mesoporous silica and titania shells with controllable porosity. In certain cases, we can tune catalytic reaction rates by adjusting the porosity of the outer shell. We also designed and successfully applied a silica-protected calcination method to prepare crystalline shells with high surface area, using anatase titania as a model system. We achieved a high degree of control over the crystallinity and porosity of the anatase shells, allowing for the systematic optimization of their photocatalytic activity. Core-shell nanostructures also provide a great opportunity for controlling the interaction among the different components in ways that might boost structural stability or catalytic activity. For example, we fabricated a SiO₂/Au/N-doped TiO₂ core-shell photocatalyst with a sandwich structure that showed

  4. Analysis and improvement of ionospheric thin shell model used in SBAS for China region

    NASA Astrophysics Data System (ADS)

    Huang, Z.; Yuan, H.

    2013-06-01

    The most frequently used mapping function for converting slant total electron content (STEC) to vertical total electron content (VTEC) uses a simplified ionospheric single layer model in satellite based augmentation system (SBAS). Aiming at ionospheric single layer model altitude variation, we analyzed the statistical characteristic of mapping function in systemic approach particular for the region of China, and then experimental mapping function was proposed. The experimental mapping function is used in SBAS ionospheric correction and the precision of vertical correction is compared with standard mapping function. The results show that conversion factor errors depend on latitude, time and elevation, experimental mapping function is helpful to the vertical TEC estimation and may improve the precision of SBAS ionospheric refraction correction especially for the low latitude region of China.

  5. Structural basis of the temperature transition of Pf1 bacteriophage

    PubMed Central

    Thiriot, David S.; Nevzorov, Alexander A.; Opella, Stanley J.

    2005-01-01

    The filamentous bacteriophage Pf1 undergoes a reversible temperature-dependent transition that is also influenced by salt concentrations. This structural responsiveness may be a manifestation of the important biological property of flexibility, which is necessary for long, thin filamentous assemblies as a protection against shear forces. To investigate structural changes in the major coat protein, one- and two-dimensional solid-state NMR spectra of concentrated solutions of Pf1 bacteriophage were acquired, and the structure of the coat protein determined at 0°C was compared with the structure previously determined at 30°C. Despite dramatic differences in the NMR spectra, the overall change in the coat protein structure is small. Changes in the orientation of the C-terminal helical segment and the conformation of the first five residues at the N-terminus are apparent. These results are consistent with prior studies by X-ray fiber diffraction and other biophysical methods. PMID:15741342

  6. Oyster Shell Proteins Originate from Multiple Organs and Their Probable Transport Pathway to the Shell Formation Front

    PubMed Central

    Zhu, Yabing; Du, Yishuai; Song, Xiaorui; Chen, Yuanxin; Huang, Ronglian; Que, Huayong; Fang, Xiaodong; Zhang, Guofan

    2013-01-01

    Mollusk shell is one kind of potential biomaterial, but its vague mineralization mechanism hinders its further application. Mollusk shell matrix proteins are important functional components that are embedded in the shell, which play important roles in shell formation. The proteome of the oyster shell had been determined based on the oyster genome sequence by our group and gives the chance for further deep study in this area. The classical model of shell formation posits that the shell proteins are mantle-secreted. But, in this study, we further analyzed the shell proteome data in combination with organ transcriptome data and we found that the shell proteins may be produced by multiple organs though the mantle is still the most important organ for shell formation. To identify the transport pathways of these shell proteins not in classical model of shell formation, we conducted a shell damage experiment and we determined the shell-related gene set to identify the possible transport pathways from multiple organs to the shell formation front. We also found that there may exist a remodeling mechanism in the process of shell formation. Based on these results along with some published results, we proposed a new immature model, which will help us think about the mechanism of shell formation in a different way. PMID:23840499

  7. Design of a DC Busbar for the ITER PF Converter

    NASA Astrophysics Data System (ADS)

    Guo, Bin; Song, Zhiquan; Xu, Liuwei; Zhang, Ming; Li, Jinchao; Jiang, Li; Fu, Peng; Wang, Min; Dong, Lin

    2014-04-01

    The DC busbar is an important component for the ITER PF converter module to connect the converter and the reactor. This paper analyzes different cross-sections and different thermodynamic properties under natural-cooling and water-cooling conditions, and simulation is carried out by the software of the finite element method (FEM). The result of the analysis shows that the water-cooling method is the better choice for the DC busbar.

  8. 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.

  9. Anisotropic viscoelastic shell modeling technique of copper patterns/photoimageable solder resist composite for warpage simulation of multi-layer printed circuit boards

    NASA Astrophysics Data System (ADS)

    Kim, Do-Hyoung; Joo, Sung-Jun; Kwak, Dong-Ok; Kim, Hak-Sung

    2015-10-01

    In this study, the warpage simulation of a multi-layer printed circuit board (PCB) was performed as a function of various copper (Cu) patterns/photoimageable solder resist (PSR) composite patterns and their anisotropic viscoelastic properties. The thermo-mechanical properties of Cu/PSR patterns were obtained from finite element analysis (virtual test) and homogenized with anisotropic composite shell models that considered the viscoelastic properties. The multi-layer PCB model was simplified based on the unit Cu/PSR patterns and the warpage simulation during the reflow process was performed by using ABAQUS combined with a user-defined subroutine. From these results, it was demonstrated that the proposed anisotropic viscoelastic composite shell simulation technique can be successfully used to predict warpage of multi-layer PCBs during the reflow process.

  10. 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

  11. 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.

  12. 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.

  13. Two-loop Script O(ααs) corrections to the on-shell fermion propagator in the standard model

    NASA Astrophysics Data System (ADS)

    Eiras, Dolors; Steinhauser, Matthias

    2006-02-01

    In this paper we consider mixed two-loop electroweak corrections to the top quark propagator in the Standard Model. In particular, we compute the on-shell renormalization constant for the mass and wave function, which constitute building blocks for many physical processes. The results are expressed in terms of master integrals. For the latter practical approximations are derived. In the case of the mass renormalization constant we find agreement with the results in the literature.

  14. Present-day velocity and stress fields of the Amurian plate from thin-shell finite element modelling

    NASA Astrophysics Data System (ADS)

    Petit, C.; Fournier, M.

    2003-04-01

    Space geodetic data have shown that east of longitude 100°E, the southeastern and eastern Asia including Sundaland, South China, North China, and the Amurian plate move eastward at a mean rate of 1 cm/yr relative to Siberia. The relative motions between the main continental blocks of eastern Asia are low, of the order of 1-2 mm/yr. Thus, a wide region extending from the Baikal Rift to the Japan Sea and to SE Asia and Indonesia is slowly extruded eastward at a rate of ~1 cm/yr. It is generally admitted that eastward extrusion of such continental blocks accounts for 1/4 to 1/3 of deformation in Asia, while the remaining 2/3 to 3/4 are accommodated by crustal and/or lithospheric thickening. As a consequence, any dynamic model of deformation in Asia should take into account body forces due to plate thickening as well as boundary forces coming from the India-Asia collision and Pacific subductions. We present spherical thin-plate models of the Amurian continental plate using the finite element code SHELLS developed by Peter Bird (1999). This 2D modelling code simulates short-term deformation of a 2-layered lithosphere with lateral variations of crustal and lithospheric thicknesses, and heat flow. We first analyze the Amurian plate kinematics and deformation through GPS and seismotectonic data. Then we use the finite element model to define the boundary conditions that best match the observed velocity and stress fields. The best-fitting model involves a transition from NW-SE compression to eastward extrusion along the southern plate boundary, favoring the opening of the Baikal rift east of 105°E. NE-SW to EW compression along the eastern plate limit is satisfyingly reproduced by the relative motions of the Okhotsk, Pacific and Philippine Sea plates. Finally, we show that body forces due to sharp changes in crustal and lithospheric thicknesses can explain the rapid transition from NE-SW extension in the north Baikal rift to ~NS compression in the Stanovoy range.

  15. Unified ab initio approach to bound and unbound states: No-core shell model with continuum and its application to 7He

    DOE PAGESBeta

    Baroni, Simone; Navratil, Petr; Quaglioni, Sofia

    2013-03-26

    In this study, we introduce a unified approach to nuclear bound and continuum states based on the coupling of the no-core shell model (NCSM), a bound-state technique, with the no-core shell model/resonating group method (NCSM/RGM), a nuclear scattering technique. This new ab initio method, no-core shell model with continuum (NCSMC), leads to convergence properties superior to either NCSM or NCSM/RGM while providing a balanced approach to different classes of states. In the NCSMC, the ansatz for the many-nucleon wave function includes (i) a square-integrable A-nucleon component expanded in a complete harmonic oscillator basis and (ii) a binary-cluster component with asymptoticmore » boundary conditions that can properly describe weakly bound states, resonances, and scattering. The Schrödinger equation is transformed into a system of coupled-channel integral-differential equations that we solve using a modified microscopic R-matrix formalism within a Lagrange mesh basis. We demonstrate the usefulness of the approach by investigating the unbound 7He nucleus.« less

  16. 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

  17. Semi-automatic Road Extraction from SAR images using EKF and PF

    NASA Astrophysics Data System (ADS)

    Zhao, J. Q.; Yang, J.; Li, P. X.; Lu, J. M.

    2015-06-01

    Recently, the use of linear features for processing remote sensing images has shown its importance in applications. As one of typical linear targets, road is a hot spot of remote sensing image interpretation. Since extracting road by manual processing is too expensive and time consuming, researches based on automatic and semi-automatic have become more and more popular. Such interest is motivated by the requirements for civilian and military applications, such as road maps, traffic monitoring, navigation applications, and topographic mapping. How to extract road accurately and efficiently from SAR images is a key problem. In this paper, through analyzing characteristics of road, semi-automatic road extraction based on Extend Kalman Filtering (EKF) and Particles Filtering (PF), is presented. These two methods have the same algorithm flow which is an iterative approach based on prediction and update. The specific procedure as follows: at prediction stage, we obtain prior probability density function by the prior stage and prediction model, and through prior probability density function and the new measurement, at update stage we obtain the posterior probability density function which is the optimal estimation of road system state. Both EKF and PF repeat the steps above until the extracting tasks are finished. We use these two methods to extract road respectively. The effectiveness of the proposed method is demonstrated through the experiments from Howland by UAVSAR in L-band. And through contrast experiments, we discover that extracting difference complexity of road based on different methods can improve accuracy and efficiency. The results show that EKF has better performance on road with middle noise and PF has better performance on road with high noise.

  18. 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

  19. 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.

  20. Comparison of dynamic contrast-enhanced MR, ultrasound and optical imaging modalities to evaluate the antiangiogenic effect of PF-03084014 and sunitinib

    PubMed Central

    Zhang, Cathy C; Yan, Zhengming; Giddabasappa, Anand; Lappin, Patrick B; Painter, Cory L; Zhang, Qin; Li, Gang; Goodman, James; Simmons, Brett; Pascual, Bernadette; Lee, Joseph; Levkoff, Ted; Nichols, Tim; Xie, Zhiyong

    2014-01-01

    Noninvasive imaging has been widely applied for monitoring antiangiogenesis therapy in cancer drug discovery. In this report, we used different imaging modalities including high-frequency ultrasound (HFUS), dynamic contrast enhanced-MR (DCE-MR), and fluorescence molecular tomography (FMT) imaging systems to monitor the changes in the tumor vascular properties after treatment with γ-secretase inhibitor PF-03084014. Sunitinib was tested in parallel for comparison. In the MDA-MB-231Luc model, we demonstrated that antiangiogenesis was one of the contributing mechanisms for the therapeutic effect of PF-03084014. By immunohistochemistry and FITC-lectin perfusion assays, we showed that the vascular defects upon treatment with PF-03084014 were associated with Notch pathway modulation, evidenced by a decrease in the HES1 protein and by the changes in VEGFR2 and HIF1α levels, which indicates down-stream effects. Using a 3D power Doppler scanning method, ultrasound imaging showed that the% vascularity in the MDA-MB-231Luc tumor decreased significantly at 4 and 7 days after the treatment with PF-03084014. A decrease in the tumor vessel function was also observed through contrast-enhanced ultrasound imaging with microbubble injection. These findings were consistent with the PF-03084014-induced functional vessel changes measured by suppressing the Ktrans values using DCE-MRI. In contrast, the FMT imaging with the AngioSence 680EX failed to detect any treatment-associated tumor vascular changes. Sunitinib demonstrated an outcome similar to PF-03084014 in the tested imaging modalities. In summary, ultrasound and DCE-MR imaging successfully provided longitudinal measurement of the phenotypic and functional changes in tumor vasculature after treatment with PF-03084014 and sunitinib. PMID:24573979