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Sample records for pf shell model

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

    NASA Astrophysics Data System (ADS)

    Kumar, Vikas; Srivastava, P. C.

    2016-06-01

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

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

    NASA Astrophysics Data System (ADS)

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

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

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

    NASA Astrophysics Data System (ADS)

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

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

  4. Effective gA in the pf shell

    NASA Astrophysics Data System (ADS)

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

    1996-06-01

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

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

    SciTech Connect

    Nowacki, F.; Poves, A.

    2009-01-15

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

  6. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1997-01-01

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

  8. 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.

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

    SciTech Connect

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

    1998-08-10

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

  10. 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.

  11. Spherical shell model description of deformation and superdeformation

    NASA Astrophysics Data System (ADS)

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

    2003-04-01

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

  12. Novel extrapolation method in the Monte Carlo shell model

    SciTech Connect

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

    2010-12-15

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

  13. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1994-07-01

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

  15. Shell models of magnetohydrodynamic turbulence

    NASA Astrophysics Data System (ADS)

    Plunian, Franck; Stepanov, Rodion; Frick, Peter

    2013-02-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2001-12-01

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

  17. Microscopic Shell Model Calculations for sd-Shell Nuclei

    NASA Astrophysics Data System (ADS)

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

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

  18. Shell Model Approach to Nuclear Level Density

    NASA Astrophysics Data System (ADS)

    Horoi, Mihai

    2000-04-01

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

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

    SciTech Connect

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

    2011-05-06

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

  20. 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…

  1. About PF

    MedlinePlus

    ... coal dust, beryllium, hard metal dusts. Environmental exposures Organic dusts, including animal proteins, bacteria, and molds, can ... some types of PF. Diseases caused by inhaled organic dusts are often called “hypersensitivity pneumonitis”. Exposure to ...

  2. Variability in shell models of GRBs

    NASA Technical Reports Server (NTRS)

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

    1997-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  4. 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.

  5. Layzer type models for pressure driven shells

    SciTech Connect

    Hurricane, O.A.

    2005-05-01

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

  6. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1999-05-01

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

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

    NASA Astrophysics Data System (ADS)

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

    1999-04-01

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

  9. 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)].

  10. 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.

  11. 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.

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

    PubMed

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

    2012-06-01

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

  13. 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.

  14. Shell model response analysis of buried pipelines

    SciTech Connect

    Takada, Shiro; Katagiri, Shin; Shinmi, Tatsuhiko

    1995-12-31

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

  15. Shell model for buoyancy-driven turbulence

    NASA Astrophysics Data System (ADS)

    Kumar, Abhishek; Verma, Mahendra K.

    2015-04-01

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

  16. Regularity of inviscid shell models of turbulence

    NASA Astrophysics Data System (ADS)

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

    2007-01-01

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

  17. 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).

  18. 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.

  19. Delta Shell: Integrated Modeling by Example

    NASA Astrophysics Data System (ADS)

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

    2011-12-01

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

  20. 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.

  1. 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.

  2. 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).

  3. 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.

  4. 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.

  5. 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.

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

    SciTech Connect

    Kong, X.; Bird, P.

    1995-11-10

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

  7. Shell model states in the continuum

    NASA Astrophysics Data System (ADS)

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

    2016-12-01

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

  8. Multi-shell effective interactions

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

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

  9. 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.

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

    PubMed

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

    2014-01-01

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

  11. 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.

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

    PubMed Central

    Hsiao, Chao-Tsung; Chahine, Georges L.

    2013-01-01

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

  13. Ground state energy fluctuations in the nuclear shell model

    NASA Astrophysics Data System (ADS)

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

    2005-05-01

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

  14. Modelling of the collision of two viscoelastic spherical shells

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

  15. Ab initio no core shell model

    SciTech Connect

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

    2012-11-17

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

  16. 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,...

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

    NASA Astrophysics Data System (ADS)

    Teruya, Eri; Yoshinaga, Naotaka; Higashiyama, Koji

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

  18. Shell model description of band structure in 48Cr

    SciTech Connect

    Vargas, Carlos E.; Velazquez, Victor M.

    2007-02-12

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

  19. Spherical shell model description of rotational motion

    NASA Astrophysics Data System (ADS)

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

    1995-10-01

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

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

    NASA Astrophysics Data System (ADS)

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

    1996-08-01

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

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

    PubMed

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

    2015-06-25

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

  2. Influence of saturation properties on shell-model calculations

    NASA Astrophysics Data System (ADS)

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

    1991-03-01

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

  3. 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.

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

    SciTech Connect

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

    2003-06-19

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

  5. 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.

  6. 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

  7. Core polarization and modern realistic shell-model Hamiltonians

    NASA Astrophysics Data System (ADS)

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

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

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

    PubMed

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

    2010-01-01

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

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

    PubMed

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

    2012-07-15

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

  10. Orthotropic elastic shell model for buckling of microtubules.

    PubMed

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

    2006-11-01

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

  11. 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.

  12. Modelling exchange bias in core/shell nanoparticles.

    PubMed

    Iglesias, Oscar; Batlle, Xavier; Labarta, Amílcar

    2007-10-10

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

  13. 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.

  14. 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.

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

    SciTech Connect

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

    2007-10-02

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

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

    NASA Astrophysics Data System (ADS)

    Zuker, A. P.

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

  17. 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.

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

    NASA Technical Reports Server (NTRS)

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

    1973-01-01

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

  19. 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.

  20. 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.

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

    SciTech Connect

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

    1990-04-01

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

  2. 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.

  3. 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.

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

    NASA Astrophysics Data System (ADS)

    Kekejian, David; Draayer, Jerry; Launey, Kristina

    2017-01-01

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

  5. 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.

  6. 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

  7. Shell Model Description of 102-108Sn Isotopes

    NASA Astrophysics Data System (ADS)

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

    2012-05-01

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

  8. 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.

  9. 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.

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

    PubMed

    Iglesias, Oscar; Labarta, Amílcar; Batlle, Xavier

    2008-06-01

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

  11. 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.

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

    SciTech Connect

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

    2005-04-01

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

  13. 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.

  14. Shell-model phenomenology of low-momentum interactions

    NASA Astrophysics Data System (ADS)

    Schwenk, Achim; Zuker, Andrés P.

    2006-12-01

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

  15. Sensitivity analysis of random shell-model interactions

    NASA Astrophysics Data System (ADS)

    Krastev, Plamen; Johnson, Calvin

    2010-02-01

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

  16. 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.

  17. Estimation of Schiff moments using the nuclear shell model

    NASA Astrophysics Data System (ADS)

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

    2014-09-01

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

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

    PubMed

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

    2016-03-17

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

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

    PubMed Central

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

    2016-01-01

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

  20. Shell model approach for nuclei with mass around 220

    NASA Astrophysics Data System (ADS)

    Kaiura, Yukiko; Yoshinaga, Naotaka; Higashiyama, Koji

    2014-09-01

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

  1. 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

  2. Shell-model calculations of nuclei around mass 130

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

  3. 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.

  4. 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.

  5. 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}

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

    NASA Astrophysics Data System (ADS)

    Higashiyama, Koji; Yoshinaga, Naotaka

    2014-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

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

  8. 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.

  9. Electronic states of PF 2 and PF +2

    NASA Astrophysics Data System (ADS)

    Latifzadeh, Lida; Balasubramanian, K.

    1994-10-01

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

  10. 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.

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

    PubMed

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

    2016-09-01

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

  12. 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.

  13. No-core shell model in an EFT framework

    NASA Astrophysics Data System (ADS)

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

    2006-10-01

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

  14. 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.

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

    SciTech Connect

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

    2011-05-06

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

  17. 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.

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

    PubMed

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

    2014-01-31

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

  19. 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

  20. 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.

  1. 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.

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

    SciTech Connect

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

    2003-10-14

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

  3. Fabricating Thin-Shell Heat-Transfer Models

    NASA Technical Reports Server (NTRS)

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

    1985-01-01

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

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

    SciTech Connect

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

    2005-12-01

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

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

    NASA Astrophysics Data System (ADS)

    Verma, Mahendra K.; Kumar, Rohit

    2016-12-01

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

  6. 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.

  7. 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.

  8. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1994-06-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-05-01

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

  11. 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.

  12. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2010-12-01

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

  14. 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.

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

    PubMed Central

    Viré, A.; Xiang, J.; Pain, C. C.

    2015-01-01

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

  16. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-08-01

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

  18. 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.

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

    NASA Astrophysics Data System (ADS)

    Bondaryk, Joseph E.

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

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

    NASA Astrophysics Data System (ADS)

    Ganev, H. G.

    2015-07-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2010-01-01

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

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

    PubMed

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

    2016-07-07

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

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

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; OBrien, T. Kevin

    2000-01-01

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

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

    NASA Astrophysics Data System (ADS)

    Hestroffer, Karine; Daudin, Bruno

    2013-12-01

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

  5. 16 PF Research Bibliography: 1971-1976.

    ERIC Educational Resources Information Center

    Hussong, Mary Ann, Comp.; And Others

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

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

    PubMed

    Bahmann, Hilke; Zhou, Yongxi; Ernzerhof, Matthias

    2016-09-28

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

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

    SciTech Connect

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

    1994-03-01

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

  8. 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.

  9. 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.

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

    SciTech Connect

    Martineau, Rick L.

    1998-04-01

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

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

    PubMed

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

    2013-01-01

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

  12. Canonical acoustic thin-shell wormholes

    NASA Astrophysics Data System (ADS)

    Jusufi, Kimet; Övgün, Ali

    2017-03-01

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

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

    NASA Technical Reports Server (NTRS)

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

    1973-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

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

  15. Nonclassical models of the theory of plates and shells

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

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

    SciTech Connect

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

    2015-10-20

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

  17. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2003-01-01

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

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

    PubMed Central

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

    2009-01-01

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

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

    PubMed

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

    2009-02-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

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

  2. 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.

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

    NASA Astrophysics Data System (ADS)

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

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

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

    NASA Astrophysics Data System (ADS)

    García-Reyes, Gonzalo

    2017-03-01

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

  5. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

  7. 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

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

    NASA Technical Reports Server (NTRS)

    Rastogi, Naveen; Johnson, Eric R.

    1994-01-01

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

  9. 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.

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

    NASA Technical Reports Server (NTRS)

    Krueger, Ronald; OBrien, T. Kevin

    2001-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-03-01

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

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

    PubMed Central

    Voorhees, Peter W; Davis, Stephen H

    2017-01-01

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

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

    SciTech Connect

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

    1991-08-26

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

  14. 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.

  15. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  17. 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.

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

    NASA Astrophysics Data System (ADS)

    Regev, O.; Livio, M.

    1984-05-01

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

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

    NASA Astrophysics Data System (ADS)

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

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

  20. 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.

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

    NASA Technical Reports Server (NTRS)

    Erdogan, F.; Aksel, B.

    1986-01-01

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

  2. 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.

  3. 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.

  4. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    NASA Astrophysics Data System (ADS)

    Gao, Yuanwen; An, Le

    2010-07-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2011-02-01

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

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

    SciTech Connect

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

    1998-12-31

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

  9. 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.

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

    SciTech Connect

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

    1990-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-12-01

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

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

    PubMed

    Doinikov, Alexander A; Dayton, Paul A

    2007-06-01

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

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

    NASA Astrophysics Data System (ADS)

    Yu, Wenbin; Hodges, Dewey H.

    2005-02-01

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

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

    PubMed

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

    2014-01-01

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

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

    PubMed

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

    2015-09-25

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

  16. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-02-01

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

  19. 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.

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

    PubMed

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

    2013-10-25

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

  1. 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.

  2. 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

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

    NASA Astrophysics Data System (ADS)

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

    2012-10-01

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

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

    NASA Astrophysics Data System (ADS)

    Chumachenko, E. N.

    2008-08-01

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

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

    SciTech Connect

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

    2016-04-21

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-05-01

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

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

    NASA Technical Reports Server (NTRS)

    Buchlin, E.; Velli, Marco C.

    2007-01-01

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

  8. 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.

  9. 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.

  10. 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.

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

    PubMed

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

    2009-09-28

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

  12. 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.

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

    NASA Astrophysics Data System (ADS)

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

    1999-06-01

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

  14. 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

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

    SciTech Connect

    Barrett, Bruce R.

    2011-05-06

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

  16. 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.

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

    SciTech Connect

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

    2009-01-21

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

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

    NASA Technical Reports Server (NTRS)

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

    2002-01-01

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

  19. 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.

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

    PubMed

    Shen, Hui-Shen

    2010-06-01

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

  1. 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.

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

    PubMed

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

    2012-10-24

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

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

    NASA Astrophysics Data System (ADS)

    Chevrier, R.; Gaudefroy, L.

    2014-05-01

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

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

    NASA Astrophysics Data System (ADS)

    Hummel, W.; Štefl, S.

    2001-03-01

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

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

    PubMed

    Shen, Hui-Shen

    2010-05-21

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

  6. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2017-03-01

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

  8. 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.

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

    SciTech Connect

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

    2009-12-15

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

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

    NASA Astrophysics Data System (ADS)

    Dang, Liem X.; Chang, Tsun-Mei

    2016-09-01

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li+ and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li+ in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li+-[BF4] and Li+-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li+. We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li+-[BF4] and Li+-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.

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

    PubMed

    Dang, Liem X; Chang, Tsun-Mei

    2016-09-07

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li(+) and the kinetics of ion pairings in lithium-ion batteries (LIBs). We report one of the first computer simulations of the exchange dynamics around solvated Li(+) in acetonitrile (ACN), which is a common solvent used in LIBs. We also provide details of the ion-pairing kinetics of Li(+)-[BF4] and Li(+)-[PF6] in ACN. Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine the ACN exchange process between the first and second solvation shells around Li(+). We calculate exchange rates using transition state theory and weighted them with the transmission coefficients determined by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found the relaxation times changed from 180 ps to 4600 ps and from 30 ps to 280 ps for Li(+)-[BF4] and Li(+)-[PF6] ion pairs, respectively. These results confirm that the solvent response to the kinetics of ion pairing is significant. Our results also show that, in addition to affecting the free energy of solvation into ACN, the anion type also should significantly influence the kinetics of ion pairing. These results will increase our understanding of the thermodynamic and kinetic properties of LIB systems.

  12. 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.

  13. 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

  14. 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

  15. Nanoflares and MHD turbulence in coronal loops: a hybrid shell model.

    PubMed

    Nigro, Giuseppina; Malara, Francesco; Carbone, Vincenzo; Veltri, Pierluigi

    2004-05-14

    A model to describe injection, due to footpoint motions, storage, and dissipation of MHD turbulence in coronal loops, is presented. The model is based on the use of the shell technique in the wave vector space applied to the set of reduced MHD equations. Numerical simulation showed that the energy injected is efficiently stored in the loop where a significant level of magnetic and velocity fluctuations is obtained. Nonlinear interactions among these fluctuations give rise to an energy cascade towards smaller scales where energy is dissipated in an intermittent fashion. The statistical analysis performed on the intermittent dissipative events compares well with all observed properties of nanoflare emission statistics.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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…

  2. 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.

  3. 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.

  4. 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.

  5. A Complete Structural Inventory of the Mycobacterial Microcompartment Shell Proteins Constrains Models of Global Architecture and Transport.

    PubMed

    Mallette, Evan; Kimber, Matthew S

    2017-01-27

    Bacterial microcompartments are bacterial analogs of eukaryotic organelles in that they spatially segregate aspects of cellular metabolism, but they do so by building not a lipid membrane but a thin polyhedral protein shell. Although multiple shell protein structures are known for several microcompartment types, additional uncharacterized components complicate systematic investigations of shell architecture. We report here the structures of all four proteins proposed to form the shell of an uncharacterized microcompartment designated the Rhodococcus and Mycobacterium microcompartment (RMM), which, along with crystal interactions and docking studies, suggests possible models for the particle's vertex and edge organization. MSM0272 is a typical hexameric β-sandwich shell protein thought to form the bulk of the facet. MSM0273 is a pentameric β-barrel shell protein that likely plugs the vertex of the particle. MSM0271 is an unusual double-ringed bacterial microcompartment shell protein whose rings are organized in an offset position relative to all known related proteins. MSM0275 is related to MSM0271 but self-organizes as linear strips that may line the facet edge; here, the presence of a novel extendable loop may help ameliorate poor packing geometry of the rigid main particle at the angled edges. In contrast to previously characterized homologs, both of these proteins show closed pores at both ends. This suggests a model where key interactions at the vertex and edges are mediated at the inner layer of the shell by MSM0271 (encircling MSM0273) and MSM0275, and the facet is built from MSM0272 hexamers tiling in the outer layer of the shell.

  6. 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.

  7. Dynamic modelling and active vibration controller design for a cylindrical shell equipped with piezoelectric sensors and actuators

    NASA Astrophysics Data System (ADS)

    Kwak, Moon K.; Heo, Seok; Jeong, Moonsan

    2009-04-01

    This paper is concerned with the dynamic modelling, active vibration controller design and experiments for a cylindrical shell equipped with piezoelectric sensors and actuators. The dynamic model was derived by using Rayleigh-Ritz method based on the Donnel-Mushtari shell theory. The actuator equations which relate the applied voltages to the generalized force and sensor equations which relate the generalized displacements to the sensor output voltages for the piezoelectric wafer were derived based on the pin-force model. The equations of motion along with the piezoelectric sensor equations were then reduced to modal forms considering the modes of interest. An aluminium shell was fabricated to demonstrate the effectiveness of the modelling and control techniques. The boundary conditions at both ends of the shell were assumed to be a shear diaphragm in the numerical analysis. Theoretical natural frequencies of the aluminium shell were then calculated and compared to experimental result. They were in good agreement with experimental result for the first two free-vibration modes. The multi-input and multi-output positive position feedback controller, which can cope with the first two vibration modes, was designed based on the block-inverse theory and was implemented digitally using the DSP board. The experimental results showed that vibrations of the cylindrical shell can be successfully suppressed by the piezoelectric actuator and the proposed controller.

  8. Non-linear rotation-free shell finite-element models for aortic heart valves.

    PubMed

    Gilmanov, Anvar; Stolarski, Henryk; Sotiropoulos, Fotis

    2017-01-04

    Hyperelastic material models have been incorporated in the rotation-free, large deformation, shell finite element (FE) formulation of (Stolarski et al., 2013) and applied to dynamic simulations of aortic heart valve. Two models used in the past in analysis of such problem i.e. the Saint-Venant and May-Newmann-Yin (MNY) material models have been considered and compared. Uniaxial tests for those constitutive equations were performed to verify the formulation and implementation of the models. The issue of leaflets interactions during the closing of the heart valve at the end of systole is considered. The critical role of using non-linear anisotropic model for proper dynamic response of the heart valve especially during the closing phase is demonstrated quantitatively. This work contributes an efficient FE framework for simulating biological tissues and paves the way for high-fidelity flow structure interaction simulations of native and bioprosthetic aortic heart valves.

  9. Electrostatic self-energy of a partially formed spherical shell in salt solution: application to stability of tethered and fluid shells as models for viruses and vesicles.

    PubMed

    Božič, Anže Lošdorfer; Šiber, Antonio; Podgornik, Rudolf

    2011-04-01

    We investigate the electrostatics of a partially formed, charged spherical shell in a salt solution. We solve the problem numerically at the Poisson-Boltzmann level and analytically in the Debye-Hückel regime. From the results on energetics of partially formed shells we examine the stability of tethered (crystalline) and fluid shells toward rupture. We delineate different regimes of stability, where, for fluid shells, we also include the effects of bending elasticity of the shells. Our analysis shows how charging of the shell induces its instability toward rupture but also provides insight regarding growth of charged shells.

  10. A nonlocal shell model for mode transformation in single-walled carbon nanotubes.

    PubMed

    Shi, M X; Li, Q M; Huang, Y

    2009-11-11

    A second-order strain gradient nonlocal shell model is established to study the mode transformation in single-walled carbon nanotubes (SWCNTs). Nonlocal length is calibrated carefully for SWCNTs in reference to molecular dynamics (MD) simulations through analysis of nonlocal length effects on the frequencies of the radial breathing mode (RBM) and circumferential flexural modes (CFMs) and its effects on mode transformation. All analyses show that only a negative second-order nonlocal shell model is appropriate to SWCNTs. Nonlocal length is evidently related to vibration modes and the radius-to-thickness ratio. It is found that a nonlocal length is approximately 0.1 nm in an average sense when RBM frequency is concerned. A nonlocal length of 0.122-0.259 nm is indicated for the mode transformation in a selected group of armchair SWCNTs. 2:1 and 1:1 internal resonances are found for the same SWCNT based on different models, which implies that the internal resonance mechanism depends on the model employed. Furthermore, it is shown that an effective thickness of approximately 0.1 nm is more appropriate to SWCNTs than 0.066 nm.

  11. 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.

  12. Anomalous scaling from controlled closure in a shell model of turbulence

    NASA Astrophysics Data System (ADS)

    L'vov, Victor S.; Pierotti, Daniela; Pomyalov, Anna; Procaccia, Itamar

    2000-04-01

    We present a model of hydrodynamic turbulence for which the program of computing the scaling exponents from first principles can be developed in a controlled fashion. The model consists of N suitably coupled copies of the "Sabra" shell model of turbulence. The couplings are chosen to include two components: random and deterministic, with a relative importance that is characterized by a parameter called ɛ. It is demonstrated, using numerical simulations of up to 25 copies and 28 shells that in the N→∞ limit but for 0<ɛ⩽1 this model exhibits correlation functions whose scaling exponents are anomalous. The theoretical calculation of the scaling exponents follows verbatim the closure procedure suggested recently for the Navier-Stokes problem, with the additional advantage that in the N→∞ limit the parameter ɛ can be used to regularize the closure procedure. The main result of this paper is a finite and closed set of scale-invariant equations for the 2nd and 3rd order statistical objects of the theory. This set of equations takes into account terms up to order ɛ4 and neglects terms of order ɛ6. Preliminary analysis of this set of equations indicates a K41 normal scaling at ɛ=0, with a birth of anomalous exponents at larger values of ɛ, in agreement with the numerical simulations.

  13. 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.

  14. 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.

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

    SciTech Connect

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

    2011-03-15

    A wide variety of modern instruments allow us to study neutron-deficient nuclei in the A=130 mass region. Highly deformed nuclei have been found in this region, providing opportunities to study the deformed rotational bands. The description of the {sup 125,127,129,131,133}Pr isotopes with the projected shell model is presented in this paper. Good agreement between theory and experiment is obtained and some characteristics are discussed, including the dynamic moment of inertia J{sup (2)}, kinetic moment of inertia J{sup (1)}, the crossing of rotational bands, and backbending effects.

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

    NASA Astrophysics Data System (ADS)

    Teruya, Eri; Yoshinaga, Naotaka; Higashiyama, Koji

    2015-05-01

    Existence of the electric dipole moment (EDM) is deeply related with time-reversal invariance. The EDMof a diamagnetic atom is mainly induced by the nuclear Schiff moment. After carrying out the shell model calculations to obtain wavefunctions for Xe isotopes, we evaluate nuclear Schiff moments for Xe isotopes to estimate their atomic EDMs. We estimate the contribution from each single particle orbital for the Schiff moment. It is found that the contribution on the Schiff moment is very different from orbital to orbital.

  17. Recent developments of the projected shell model based on many-body techniques

    NASA Astrophysics Data System (ADS)

    Sun, Yang; Wang, Long-Jun; Chen, Fang-Qi; Mizusaki, Takahiro; Oi, Makito; Ring, Peter

    2015-05-01

    Recent developments of the projected shell model (PSM) are summarized. Firstly, by using the Pfaffian algorithm, the multi-quasiparticle configuration space is expanded to include 6-quasiparticle states. The yrast band of 166Hf at very high spins is studied as an example, where the observed third back-bending in the moment of inertia is well reproduced and explained. Secondly, an angular-momentum projected generate coordinate method is developed based on PSM. The evolution of the low-lying states, including the second 0+ state, of the soft Gd, Dy, and Er isotopes to the well-deformed ones is calculated, and compared with experimental data.

  18. Study of DCX reaction on medium nuclei with Monte-Carlo Shell Model

    SciTech Connect

    Wu, H. C.; Gibbs, W. R.

    2010-08-04

    In this work a method is introduced to calculate the DCX reaction in the framework of Monte-Carlo Shell Model (MCSM). To facilitate the use of Zero-temperature formalism of MCSM, the Double-Isobaric-Analog State (DIAS) is derived from the ground state by using isospin shifting operator. The validity of this method is tested by comparing the MCSM results to those of the SU(3) symmetry case. Application of this method to DCX on {sup 56}Fe and {sup 93}Nb is discussed.

  19. Stability analysis of nanocones under external pressure and axial compression using a nonlocal shell model

    NASA Astrophysics Data System (ADS)

    Firouz-Abadi, R. D.; Fotouhi, M. M.; Haddadpour, H.

    2012-06-01

    A nonlocal continuum shell model is developed to study the stability of nanocones under combined loading: external pressure and compression force. The nonlinear governing equations of motion of nanocone are obtained using Hamilton's principle and the external loads are considered as prestress. Based on Eringen's nonlocal elasticity theory the small-scale effect is accounted in the governing equations of motion. To obtain the critical loads, the equations are solved using Galerkin technique and the effect of small-scale parameter and geometry on the stability of nanocone is studied.

  20. Properties of {Delta}{ital I}=4 bifurcation from the projected shell model

    SciTech Connect

    Sun, Y.; Zhang, J.; Guidry, M. ||||

    1996-12-01

    A recent understanding of {Delta}{ital I}=4 bifurcation (or, {Delta}{ital I}=2 staggering) based on the projected shell model is used to investigate optimal situations for observing this effect. A set of nuclei is proposed that may represent favorable cases for observation of this effect in normally deformed nuclei. It is found that the occurrence of {Delta}{ital I}=4 bifurcation is extremely sensitive to the quasiparticle distribution near the Fermi surface; therefore such effects probe the microscopic quasiparticle structure of rotational bands in a very sensitive manner. {copyright} {ital 1996 The American Physical Society.}

  1. Shell-model calculations of beta-decay rates for s- and r-process nucleosyntheses

    NASA Astrophysics Data System (ADS)

    Takahashi, K.; Mathews, G. J.; Bloom, S. D.

    1985-10-01

    Examples of large-basis shell-model calculations of Gamow-Teller (BETA)-decay properties of specific interest in the astrophysical s- and r- processes are presented. Numerical results are given for: (1) the GT-matrix elements for the excited state decays of the unstable s-process nucleus Tc-99; and (2) the GT-strength function for the neutron-rich nucleus Cd-130, which lies on the r-process path. The results are discussed in conjunction with the astrophysics problems.

  2. A lattice Boltzmann study of non-hydrodynamic effects in shell models of turbulence

    NASA Astrophysics Data System (ADS)

    Benzi, R.; Biferale, L.; Sbragaglia, M.; Succi, S.; Toschi, F.

    2004-10-01

    A lattice Boltzmann scheme simulating the dynamics of shell models of turbulence is developed. The influence of high-order kinetic modes (ghosts) on the dissipative properties of turbulence dynamics is studied. It is analytically found that when ghost fields relax on the same timescale as the hydrodynamic ones, their major effect is a net enhancement of the fluid viscosity. The bare fluid viscosity is recovered by letting ghost fields evolve on a much longer timescale. Analytical results are borne out by high-resolution numerical simulations. These simulations indicate that the hydrodynamic manifold is very robust towards large fluctuations of non-hydrodynamic fields.

  3. Projected shell model study of ground state bands in 171-175Tm

    NASA Astrophysics Data System (ADS)

    Slathia, B.; Devi, R.; Khosa, S. K.

    2016-10-01

    The ground state bands of thulium isotopes with mass numbers (A), ranging from 171 to 175, have been investigated in the framework of the projected shell model. The theoretical results for the energy levels of ground state bands were found to be in reasonable agreement with the observed values. Predictably, E2 transition probabilities have got predicted vis-a-vis transitions with non-availability of experimental values. The E2 transition probability values have been observed to follow the same trend as seen in 171Tm.

  4. Electron attachment to Ni(PF(3))(4) and Pt(PF(3))(4).

    PubMed

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

    2008-03-14

    An experimental study has been made of thermal electron attachment to the transition-metal trifluorophosphine complexes Ni(PF(3))(4) and Pt(PF(3))(4) using a flowing-afterglow Langmuir-probe apparatus. Both complexes are efficient at electron attachment, although the rate constants are somewhat less than collisional. The rate constant for electron attachment to Ni(PF(3))(4) is 1.9 x 10(-7) cm(3) s(-1) at room temperature, about a factor of 2 less than collisional. The activation energy is 39+/-5 meV for the attachment reaction. The rate constant for electron attachment to Pt(PF(3))(4) is 5.4 x 10(-8) cm(3) s(-1) at room temperature, and the activation energy is 84+/-8 meV. For both complexes, a PF(3) ligand is lost on electron attachment, and only the M(PF(3))(3)(-) ion is observed in the negative-ion mass spectrum. Density functional calculations were carried out on Ni(PF(3))(4) and various fragments in order to describe the thermochemistry of the attachment reaction.

  5. Electron attachment to Ni(PF3)4 and Pt(PF3)4

    NASA Astrophysics Data System (ADS)

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

    2008-03-01

    An experimental study has been made of thermal electron attachment to the transition-metal trifluorophosphine complexes Ni(PF3)4 and Pt(PF3)4 using a flowing-afterglow Langmuir-probe apparatus. Both complexes are efficient at electron attachment, although the rate constants are somewhat less than collisional. The rate constant for electron attachment to Ni(PF3)4 is 1.9×10-7cm3s-1 at room temperature, about a factor of 2 less than collisional. The activation energy is 39±5meV for the attachment reaction. The rate constant for electron attachment to Pt(PF3)4 is 5.4×10-8cm3s-1 at room temperature, and the activation energy is 84±8meV. For both complexes, a PF3 ligand is lost on electron attachment, and only the M(PF3)3- ion is observed in the negative-ion mass spectrum. Density functional calculations were carried out on Ni(PF3)4 and various fragments in order to describe the thermochemistry of the attachment reaction.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

    The approach developed earlier to describe the dimerizing shielded attractive shell (SAS) primitive model of chemical association due to Cummings and Stell is generalized and extended to include a description of a polymerizing SAS model. Our extension is based on the combination of the resummed thermodynamic perturbation theory for central force (RTPT-CF) associating potential and self consistent scheme, which takes into account the changes in the system free volume due to association. Theoretical results for thermodynamical properties of the model at different bonding length, density and temperature are compared against newly generated computer simulation results. The theory gives very accurate predictions for the model with bonding length L * from the range 0  <  L *  <  0.6 at all values of the density and temperature studied, including the limit of infinitely large temperature.

  7. On-shell parameter fixing in the quark-meson model

    NASA Astrophysics Data System (ADS)

    Adhikari, Prabal; Andersen, Jens O.; Kneschke, Patrick

    2017-02-01

    The quark-meson model is often used as an effective low-energy model for QCD to study the chiral transition at finite temperature T and baryon chemical potential μB. The parameters in the quark-meson model can be found by expressing them in terms of the sigma mass mσ, the pion mass mπ, the constituent quark mass mq and the pion decay constant fπ. In practice, this matching is done at tree level, which is inconsistent once loop effects of the effective potential are taken into account. We show how to properly perform the matching in the quark-meson model by using the on-shell and the minimal subtraction renormalization schemes relating the physical masses and the pion decay constant to the running mass parameter and couplings. We map out the phase diagram in the μB- T plane and compare our results with other approximations.

  8. Ternary fission of a heavy nuclear system within a three-center shell model

    NASA Astrophysics Data System (ADS)

    Karpov, A. V.

    2016-12-01

    Background: Since more than 40 years of theoretical and experimental studies of true ternary fission, one is still quite far from its understanding. The true ternary fission channel, being strongly suppressed by the macroscopic properties of the potential energy, may, however, be present with a significant probability due to shell effects. Purpose: Development of a model for the multidimensional potential energy suitable for analysis of the nucleus-nucleus collisions with the possibility of ternary exit channel. Study of the potential possibility of fission of actinides into three heavy fragments. Method: The asymmetric three-center shell model of deformed nucleus is developed in this paper. The model can be applied for analysis of ternary as well as binary fission processes. Results: The potential energy surfaces for few ternary combinations in the fission channel are calculated for the 252Cf nucleus. Their properties are discussed. Conclusions: The potential energy structures are compared with the experimental observations. It was found that the potential energy has pronounced valleys favorable for ternary fission with formation of doubly magic tin as one of the fragments and two other lighter fragments. The positions of the found fission valleys are in a good agreement with the experimental data.

  9. 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.

  10. 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.

  11. Nuclear structure of low-lying states in 60,62,64,66Zn — A shell model description

    NASA Astrophysics Data System (ADS)

    Rai, S.; Biswas, A.; Mukherjee, B.

    2016-11-01

    Shell model calculation has been performed for even-even 60,62,64,66Zn using NuShellX code in f5/2pg9/2 model space with two different effective Hamiltonians, viz. JUN45 and jj44b. The low-lying structure is studied up to angular momentum, I = 10ℏ by calculating level energies, reduced transition probabilities, occupation numbers, lifetimes, and quadrupole moments. The results of the calculations are compared with the available experimental data. It is observed that the inclusion of 1g9/2 orbital in the model space is essential to understand nuclear structure in these isotopes. Shell model calculation with an improved set of effective Hamiltonian parameters and inclusion of 1f7/2 orbital in the model space are necessary in order to produce finer agreement with the experimental observations.

  12. 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.

  13. Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

    NASA Astrophysics Data System (ADS)

    Endah Saraswati, Teguh; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

    2017-01-01

    Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH3). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory.

  14. 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.

  15. An assessment of finite-element modeling techniques for thick-solid/thin-shell joints analysis

    NASA Technical Reports Server (NTRS)

    Min, J. B.; Androlake, S. G.

    1993-01-01

    The subject of finite-element modeling has long been of critical importance to the practicing designer/analyst who is often faced with obtaining an accurate and cost-effective structural analysis of a particular design. Typically, these two goals are in conflict. The purpose is to discuss the topic of finite-element modeling for solid/shell connections (joints) which are significant for the practicing modeler. Several approaches are currently in use, but frequently various assumptions restrict their use. Such techniques currently used in practical applications were tested, especially to see which technique is the most ideally suited for the computer aided design (CAD) environment. Some basic thoughts regarding each technique are also discussed. As a consequence, some suggestions based on the results are given to lead reliable results in geometrically complex joints where the deformation and stress behavior are complicated.

  16. 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.

  17. 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.

  18. Towards the modeling of nanoindentation of virus shells: Do substrate adhesion and geometry matter?

    NASA Astrophysics Data System (ADS)

    Bousquet, Arthur; Dragnea, Bogdan; Tayachi, Manel; Temam, Roger

    2016-12-01

    Soft nanoparticles adsorbing at surfaces undergo deformation and buildup of elastic strain as a consequence of interfacial adhesion of similar magnitude with constitutive interactions. An example is the adsorption of virus particles at surfaces, a phenomenon of central importance for experiments in virus nanoindentation and for understanding of virus entry. The influence of adhesion forces and substrate corrugation on the mechanical response to indentation has not been studied. This is somewhat surprising considering that many single-stranded RNA icosahedral viruses are organized by soft intermolecular interactions while relatively strong adhesion forces are required for virus immobilization for nanoindentation. This article presents numerical simulations via finite elements discretization investigating the deformation of a thick shell in the context of slow evolution linear elasticity and in presence of adhesion interactions with the substrate. We study the influence of the adhesion forces in the deformation of the virus model under axial compression on a flat substrate by comparing the force-displacement curves for a shell having elastic constants relevant to virus capsids with and without adhesion forces derived from the Lennard-Jones potential. Finally, we study the influence of the geometry of the substrate in two-dimensions by comparing deformation of the virus model adsorbed at the cusp between two cylinders with that on a flat surface.

  19. Spectral energy distribution /119 - 685 nm/ in 16 shell stars and a tentative model for accreting Be stars

    NASA Technical Reports Server (NTRS)

    Plavec, M. J.; Dobias, J. J.; Weiland, J. L.; Stone, R. P. S.

    1982-01-01

    IUE low-dispersion spectra and spectral scans made with the Lick Observatory IDS scanners have been combined for 16 shell stars. Eleven objects can be represented by Kurucz (1979) model atmospheres, although some of them display strong shell-type line spectra. Five among them are known binaries. The six remaining objects display complex spectra. A model involving continuum and line radiation from a hydrogen cloud surrounding the accreting component is proposed. A generalization of this model with optically thick segments of the cloud promises to explain even more exotic objects such as beta Lyrae, W Serpentis and possibly epsilon Aurigae.

  20. 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.

  1. Comparison of the pn quasiparticle RPA and shell model for Gamow-Teller beta and double-beta decays

    NASA Astrophysics Data System (ADS)

    Zhao, Liang; Brown, B. Alex

    1993-06-01

    We examine the validity of the pn quasiparticle RPA (pnQRPA) as a model for calculating β+ and 2νββ Gamow-Teller decays by making a comparison of the pnQRPA with a large-basis shell-model calculation within the 0f1p shell. We employ A=46 nuclei (those with six valence nucleons) for this comparison. Our comparison includes the decay matrix elements summed over final states, the strength distributions, and, for the first time, the coherent transition matrix elements (CTME). The pnQRPA overestimates the total β+ and 2νββ matrix elements. There are large differences in the shape of the spectra as well as in the CTME between the pnQRPA and shell-model results. Empirical improvements for the pnQRPA are discussed.

  2. Comparison of the [ital pn] quasiparticle RPA and shell model for Gamow-Teller beta and double-beta decays

    SciTech Connect

    Zhao, L.; Brown, B.A. )

    1993-06-01

    We examine the validity of the [ital pn] quasiparticle RPA ([ital pn]QRPA) as a model for calculating [beta][sup +] and 2[nu][beta][beta] Gamow-Teller decays by making a comparison of the [ital pn]QRPA with a large-basis shell-model calculation within the 0[ital f]1[ital p] shell. We employ [ital A]=46 nuclei (those with six valence nucleons) for this comparison. Our comparison includes the decay matrix elements summed over final states, the strength distributions, and, for the first time, the coherent transition matrix elements (CTME). The [ital pn]QRPA overestimates the total [beta][sup +] and 2[nu][beta][beta] matrix elements. There are large differences in the shape of the spectra as well as in the CTME between the [ital pn]QRPA and shell-model results. Empirical improvements for the [ital pn]QRPA are discussed.

  3. 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.

  4. 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.

  5. 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.

  6. Shell model study of T =0 states for 96Cd by the nucleon-pair approximation

    NASA Astrophysics Data System (ADS)

    Fu, G. J.; Cheng, Y. Y.; Zhao, Y. M.; Arima, A.

    2016-08-01

    In this paper we study the nucleon-pair approximation for T =0 states of 96Cd in the 1 p1 /21 p3 /20 f5 /20 g9 /2 shell with the JUN45 interaction. The lowest seniority scheme and the isoscalar spin-one pair approximation are not enough to describe the states. The isoscalar spin-aligned pair approximation is reasonably good for the yrast 2+, 4+, 6+, 12+, 14+, and 16+ states as pointed out previously. Not only the yrast positive-parity states but also nonyrast states and negative-parity states are well described by both the isovector pair approximation and the isoscalar pair approximation. We calculate overlaps between nucleon-pair basis states and shell-model wave functions. The largest overlaps and the corresponding nucleon-pair basis states are presented. We find that isovector spin-zero pairs, isovector spin-two pairs, and isoscalar spin-aligned pairs are the dominant building blocks in these states.

  7. Myosin B of Plasmodium falciparum (PfMyoB): in silico prediction of its three-dimensional structure and its possible interaction with MTIP.

    PubMed

    Hernández, Paula C; Morales, Liliana; Castellanos, Isabel C; Wasserman, Moisés; Chaparro-Olaya, Jacqueline

    2017-04-01

    The mobility and invasion strategy of Plasmodium falciparum is governed by a protein complex known as the glideosome, which contains an actin-myosin motor. It has been shown that myosin A of the parasite (PfMyoA) is the myosin of the glideosome, and the interaction of PfMyoA with myosin tail domain interacting protein (MTIP) determines its correct location and its ability to function in the complex. Because PfMyoA and myosin B of P. falciparum (PfMyoB) share high sequence identity, are both small proteins without a tail domain, belong to the class XIV myosins, and are expressed in late schizonts and merozoites, we suspect that these myosins may have similar or redundant functions. Therefore, this work examined the structural similarity between PfMyoA and PfMyoB and performed a molecular docking between PfMyoB and MTIP. Three-dimensional (3D) models obtained for PfMyoA and PfMyoB achieved high scores in the structural validation programs used, and their superimposition revealed high structural similarity, supporting the hypothesis of possible similar functions for these two proteins. The 3D interaction models obtained and energy values found suggested that interaction between PfMyoB and MTIP is possible. Given the apparent abundance of PfMyoA relative to PfMyoB in the parasite, we believe that the interaction between PfMyoB and MTIP would only be detectable in specific cellular environments because under normal circumstances, it would be masked by the interaction between PfMyoA and MTIP.

  8. Malaria Protein Kinase CK2 (PfCK2) Shows Novel Mechanisms of Regulation

    PubMed Central

    Graciotti, Michele; Alam, Mahmood; Solyakov, Lev; Schmid, Ralf; Burley, Glenn; Bottrill, Andrew R.; Doerig, Christian; Cullis, Paul; Tobin, Andrew B.

    2014-01-01

    Casein kinase 2 (protein kinase CK2) is a conserved eukaryotic serine/theronine kinase with multiple substrates and roles in the regulation of cellular processes such as cellular stress, cell proliferation and apoptosis. Here we report a detailed analysis of the Plasmodium falciparum CK2, PfCK2, demonstrating that this kinase, like the mammalian orthologue, is a dual specificity kinase able to phosphorylate at both serine and tyrosine. However, unlike the human orthologue that is auto-phosphorylated on tyrosine within the activation loop, PfCK2 shows no activation loop auto-phosphorylation but rather is auto-phosphorylated at threonine 63 within subdomain I. Phosphorylation at this site in PfCK2 is shown here to regulate the intrinsic kinase activity of PfCK2. Furthermore, we generate an homology model of PfCK2 in complex with the known selective protein kinase CK2 inhibitor, quinalizarin, and in so doing identify key co-ordinating residues in the ATP binding pocket that could aid in designing selective inhibitors to PfCK2. PMID:24658579

  9. 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.

  10. Investigation of fine-structure dips in fission-fragment mass distribution: An asymmetric two centre shell model approach

    NASA Astrophysics Data System (ADS)

    Malik, Sham S.

    2017-04-01

    The fission fragment mass distribution followed by neutron emission is studied for the 208Pb (18O , f) reaction using the asymmetric two centre shell model. The measured mass distribution spectrum reveals new kind of systematics on shell structure and leads to an improved understanding of structure effects in nuclear fission. A detailed investigation of shell effects both in potential and cranking mass parameter has been carried out for explaining the observed fine structure dips (i.e., less probable distributions) corresponding to shell closure (Z = 50 and/or N = 82) of fission fragments and their complementary partners. The available energy states for the decay process are obtained by solving the Schrödinger equation and found that first-five eigenstates are sufficient in reproducing the observed mass distribution spectrum. An outcome of the asymmetric two centre shell model also completely favours the observed claim that ;the total number of emitted neutrons between correlated pairs of fission fragments should not exceed 6;. A complete observed spectrum is obtained by adding the mass distribution yields of all 6-neutron emission channels. This suggests a possible importance of extending these calculations to get new insight into an understanding of the dynamical behaviour of fragment formation in the fission process.

  11. 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.

  12. A finite-temperature Hartree-Fock code for shell-model Hamiltonians

    NASA Astrophysics Data System (ADS)

    Bertsch, G. F.; Mehlhaff, J. M.

    2016-10-01

    The codes HFgradZ.py and HFgradT.py find axially symmetric minima of a Hartree-Fock energy functional for a Hamiltonian supplied in a shell model basis. The functional to be minimized is the Hartree-Fock energy for zero-temperature properties or the Hartree-Fock grand potential for finite-temperature properties (thermal energy, entropy). The minimization may be subjected to additional constraints besides axial symmetry and nucleon numbers. A single-particle operator can be used to constrain the minimization by adding it to the single-particle Hamiltonian with a Lagrange multiplier. One can also constrain its expectation value in the zero-temperature code. Also the orbital filling can be constrained in the zero-temperature code, fixing the number of nucleons having given Kπ quantum numbers. This is particularly useful to resolve near-degeneracies among distinct minima.

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

    DOE PAGES

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

    2015-06-03

    In this paper, we precisely determine the infrared (IR) length scale of the no-core shell model (NCSM). In the NCSM, the A-body Hilbert space is truncated by the total energy, and the IR length can be determined by equating the intrinsic kinetic energy of A nucleons in the NCSM space to that of A nucleons in a 3(A-1)-dimensional hyper-radial well with a Dirichlet boundary condition for the hyper radius. We demonstrate that this procedure indeed yields a very precise IR length by performing large-scale NCSM calculations for 6Li. We apply our result and perform accurate IR extrapolations for bound statesmore » of 4He, 6He, 6Li, and 7Li. Finally, we also attempt to extrapolate NCSM results for 10B and 16O with bare interactions from chiral effective field theory over tens of MeV.« less

  14. Large-scale shell model study of the newly found isomer in 136La

    NASA Astrophysics Data System (ADS)

    Teruya, E.; Yoshinaga, N.; Higashiyama, K.; Nishibata, H.; Odahara, A.; Shimoda, T.

    2016-07-01

    The doubly-odd nucleus 136La is theoretically studied in terms of a large-scale shell model. The energy spectrum and transition rates are calculated and compared with the most updated experimental data. The isomerism is investigated for the first 14+ state, which was found to be an isomer in the previous study [Phys. Rev. C 91, 054305 (2015), 10.1103/PhysRevC.91.054305]. It is found that the 14+ state becomes an isomer due to a band crossing of two bands with completely different configurations. The yrast band with the (ν h11/2 -1⊗π h11 /2 ) configuration is investigated, revealing a staggering nature in M 1 transition rates.

  15. 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.

  16. Experimental investigation of shell-model excitations of 89Zr up to high spin

    NASA Astrophysics Data System (ADS)

    Saha, S.; Palit, R.; Sethi, J.; Trivedi, T.; Srivastava, P. C.; Kumar, S.; Naidu, B. S.; Donthi, R.; Jadhav, S.; Biswas, D. C.; Garg, U.; Goswami, A.; Jain, H. C.; Joshi, P. K.; Mukherjee, G.; Naik, Z.; Nag, S.; Nanal, V.; Pillay, R. G.; Saha, S.; Singh, A. K.

    2012-09-01

    Near yrast states in 89Zr were investigated up to high spin using the fusion evaporation reaction 80Se(13C, 4n) at an incident beam energy of 50 MeV. Excited levels of 89Zr have been observed up to ˜10 MeV excitation energy and spin ˜37/2ℏ using the prompt gamma spectroscopy technique with the Indian National Gamma Array (INGA). The angular distribution, directional correlation, and polarization measurements were carried out to assign the spin and parity of the newly reported states. The structures of both the positive and negative parity states up to highest spin observed in the present experiment have been compared with shell-model calculations using two recently developed residual interactions, JUN45 and jj44b. The role of proton excitations from p3/2 and f5/2 orbitals to the g9/2 orbital for the higher spin states has been discussed.

  17. Rotational structure of the odd-proton nuclide 171Tm: A projected shell model study

    NASA Astrophysics Data System (ADS)

    Liu, YanXin; Chen, FangQi; Yu, ShaoYing; Sun, Yang

    2015-05-01

    Deformed odd-mass nuclei are ideal examples where the interplay between single-particle and collective degrees of freedom can be studied. Inspired by the recent experimental high-spin data in the odd-proton nuclide 171Tm, we perform projected shell model (PSM) calculations to investigate structure of the ground band and other bands based on isomeric states. In addition to the usual quadrupole-quadrupole force in the Hamiltonian, we employ the hexadecapole-hexadecapole ( HH) interaction, in a self-consistent way with the hexadecapole deformation of the deformed basis. It is found that the known experimental data can be well described by the PSM calculation. The effect of the HH force on the quasiparticle isomeric states is discussed.

  18. 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.

  19. Nuclear structure of 76Ge from inelastic neutron scattering measurements and shell model calculations

    NASA Astrophysics Data System (ADS)

    Mukhopadhyay, S.; Crider, B. P.; Brown, B. A.; Ashley, S. F.; Chakraborty, A.; Kumar, A.; McEllistrem, M. T.; Peters, E. E.; Prados-Estévez, F. M.; Yates, S. W.

    2017-01-01

    The low-lying, low-spin levels of 76Ge were studied with the (n ,n'γ ) reaction. Gamma-ray excitation function measurements were performed at incident neutron energies from 1.6 to 3.7 MeV, and γ -ray angular distributions were measured at neutron energies of 3.0 and 3.5 MeV. From these measurements, level spins, level lifetimes, γ -ray intensities, and multipole mixing ratios were determined. No evidence for a number of previously placed levels was found. Below 3.3 MeV, many new levels were identified, and the level scheme was re-evaluated. The B (E 2 ) values support low-lying band structure. The 2+ mixed-symmetry state has been identified for the first time. A comparison of the level characteristics with large-scale shell model calculations yielded excellent agreement.

  20. Sp(3, R) decomposition of the SU(3) no-core shell model basis

    NASA Astrophysics Data System (ADS)

    Luo, Fengqiao; Caprio, Mark A.; Dytrych, Tomas

    2014-03-01

    Numerical evidence shows an important role of the symplectic Sp(3, R) symmetry in the ab initio no-core shell model results for light nuclei. Therefore, the construction of symplectic states from SU(3) states is necessary, as a prerequisite and crucial step of understanding the symplectic symmetry for those nuclei. This presentation will provide an introduction to our numerical calculation that decomposes the basis states of Sp(3, R) irreducible representations in terms of SU(3) nuclear basis. We use the null space of the Sp(3, R) generator B (02) to find the extremal states, and then ladder them with the generator A (20) to build the entire irreps. Supported by the Research Corporation for Science Advancement under a Cottrell Scholar Award, by the US DOE under grants DE-FG02-95ER-40934 and DE-SC0005248, and by the US NSF under grant OCI-0904874.

  1. 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.

  2. 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.

  3. Wave propagation in protein microtubules modeled as orthotropic elastic shells including transverse shear deformations.

    PubMed

    Daneshmand, Farhang; Ghavanloo, Esmaeal; Amabili, Marco

    2011-07-07

    Wave propagation along the microtubules is one of the issues of major concern in various microtubule cellular functions. In this study, the general wave propagation behavior in protein microtubules is investigated based on a first-order shear deformation shell theory for orthotropic materials, with particular emphasis on the role of strongly anisotropic elastic properties of microtubules. According to experimental observation, the first-order shear deformation theory is used for the modeling of microtubule walls. A general displacement representation is introduced and a type of coupled polynomial eigenvalue problem is developed. Numerical examples describe the effects of shear deformation and rotary inertia on wave velocities in orthotropic microtubules. Finally, the influences of the microtubule shear modulus, axial external force, effective thickness and material temperature dependency on wave velocities along the microtubule protofilaments, helical pathway and radial directions are elucidated. Most results presented in the present investigation have been absent from the literature for the wave propagation in microtubules.

  4. A statistical model for monitoring shell disease in inshore lobster fisheries: A case study in Long Island Sound

    PubMed Central

    Chen, Yong

    2017-01-01

    The expansion of shell disease is an emerging threat to the inshore lobster fisheries in the northeastern United States. The development of models to improve the efficiency and precision of existing monitoring programs is advocated as an important step in mitigating its harmful effects. The objective of this study is to construct a statistical model that could enhance the existing monitoring effort through (1) identification of potential disease-associated abiotic and biotic factors, and (2) estimation of spatial variation in disease prevalence in the lobster fishery. A delta-generalized additive modeling (GAM) approach was applied using bottom trawl survey data collected from 2001–2013 in Long Island Sound, a tidal estuary between New York and Connecticut states. Spatial distribution of shell disease prevalence was found to be strongly influenced by the interactive effects of latitude and longitude, possibly indicative of a geographic origin of shell disease. Bottom temperature, bottom salinity, and depth were also important factors affecting the spatial variability in shell disease prevalence. The delta-GAM projected high disease prevalence in non-surveyed locations. Additionally, a potential spatial discrepancy was found between modeled disease hotspots and survey-based gravity centers of disease prevalence. This study provides a modeling framework to enhance research, monitoring and management of emerging and continuing marine disease threats. PMID:28196150

  5. A statistical model for monitoring shell disease in inshore lobster fisheries: A case study in Long Island Sound.

    PubMed

    Tanaka, Kisei R; Belknap, Samuel L; Homola, Jared J; Chen, Yong

    2017-01-01

    The expansion of shell disease is an emerging threat to the inshore lobster fisheries in the northeastern United States. The development of models to improve the efficiency and precision of existing monitoring programs is advocated as an important step in mitigating its harmful effects. The objective of this study is to construct a statistical model that could enhance the existing monitoring effort through (1) identification of potential disease-associated abiotic and biotic factors, and (2) estimation of spatial variation in disease prevalence in the lobster fishery. A delta-generalized additive modeling (GAM) approach was applied using bottom trawl survey data collected from 2001-2013 in Long Island Sound, a tidal estuary between New York and Connecticut states. Spatial distribution of shell disease prevalence was found to be strongly influenced by the interactive effects of latitude and longitude, possibly indicative of a geographic origin of shell disease. Bottom temperature, bottom salinity, and depth were also important factors affecting the spatial variability in shell disease prevalence. The delta-GAM projected high disease prevalence in non-surveyed locations. Additionally, a potential spatial discrepancy was found between modeled disease hotspots and survey-based gravity centers of disease prevalence. This study provides a modeling framework to enhance research, monitoring and management of emerging and continuing marine disease threats.

  6. Stability of nonrotating stellar systems. II - Prolate shell-orbit models

    NASA Astrophysics Data System (ADS)

    Merritt, David; Hernquist, Lars

    1991-08-01

    The dynamical stability of nonrotating prolate galaxy models constructed from thin long-axis tube orbits ('shell' orbits) are investigated. Models more elongated than about E6 (axis ratio of about 2:5) are unstable to bending modes than rapidly increase the velocity dispersion perpendicular to the long axis and decrease the model's elongation. Approximate representations of the spatial forms of the fastest growing modes and their growth rates are obtained. Most of the evolution is due to two modes: a symmetric (banana-shaped) bending and an antisymmetric (S-shaped) bending. The instability is similar to the 'firehose' instability of a thin self-gravitating slab, except that it persists in models with velocity anisotropies that are much less extreme than the critical value for instability of the slab. A simple model is given that reproduces the basic features of the instability in the prolate geometry. These results provide support for the hypothesis of Fridman and Polyachenko (1984) that the absence of elliptical galaxies flatter than about E6 is due to dynamical instability.

  7. Thermal electron attachment to NF3, PF3, and PF5

    NASA Astrophysics Data System (ADS)

    Miller, Thomas M.; Friedman, Jeffrey F.; Stevens Miller, Amy E.; Paulson, John F.

    1995-11-01

    A flowing-afterglow Langmuir-probe apparatus was used to measure rate constants (ka) for electron attachment to NF3 and PF5 over the temperature range T = 300-550 K. Electron attachment to NF3 is dissociative and produces only F- ionic product in the temperature range studied. At room temperature, ka(NF3) = 7 ± 4 × 10-12 cm3 s-1. The temperature dependence of ka(NF3) above 340 K is characterized by an activation energy of 0.30 ± 0.06 eV. Attachment to PF5 is nondissociative in a helium buffer at pressures in the range 53-160 Pa (0.4-1.2 Torr). The rate constant ka(PF5) is 1.0 ± 0.4 × 10-10 cm3 s-1 at 300 K and is approximately temperature independent over much of the temperature range studied. PF3 does not attach electrons in this temperature range. Upper limits to ka(PF3) were determined (and attributed to impurities): ka < 1 × 10-12 cm3 s-1 at 296 K and ka < 1 × 10-10 cm3 s-1 at 550 K. The electron attachment rate constants measured in the present work are so small that corrections were required to account for electron/ion recombination contribution to the observed decay of the electron density in the plasma.

  8. Effect of Powdered Shells of the Snail Megalobulimus lopesi on Secondary-Intention Wound Healing in an Animal Model

    PubMed Central

    Andrade, Paulo Henrique Muleta; Schmidt Rondon, Eric; Carollo, Carlos Alexandre; Rodrigues Macedo, Maria Lígia; Viana, Luiz Henrique; Schiaveto de Souza, Albert; Turatti Oliveira, Carolina; Cepa Matos, Maria de Fatima

    2015-01-01

    Topical administration of powdered shells of the land snail Megalobulimus lopesi was evaluated in Wistar rats for their healing activity in an excision wound model. The animals were distributed into three groups—G1 (control): no therapeutic intervention; G2 (vehicle controls): Lanette cream once daily; G3 (experimental animals): treated with powdered shells. Variables investigated were: wound area contraction, angiogenic activity, morphometric data, leukocytic inflammatory infiltrate, and total leukocyte count in peripheral blood. Thermogravimetric analysis and quantification and characterization of powdered shell proteins were also performed. Wound area on days 3, 7, and 14 was smaller in G3, besides presenting wound closure on day 21 for all these animals. Topical administration of the powdered shells also led to an increased number of vessels at the wound site, higher leukocyte counts in peripheral blood, and increased leukocytic inflammatory infiltrate. The results lend support to the southern Brazilian folk use of M. lopesi powdered shells, as shown by the enhanced secondary-intention healing achieved with their topical administration to wounds in rats. Topical administration caused inflammatory response modulation, crucial to accelerating the healing process, the chronification of which increases the risks of wound contamination by opportunistic pathogens. PMID:25821475

  9. 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.

  10. Synthesis and characterization of model silica-gold core-shell nanohybrid systems to demonstrate plasmonic enhancement of fluorescence

    NASA Astrophysics Data System (ADS)

    Roy, Shibsekhar; Dixit, Chandra K.; Woolley, Robert; O'Kennedy, Richard; McDonagh, Colette

    2012-08-01

    In this work, gold-silica plasmonic nanohybrids have been synthesized as model systems which enable tuning of dye fluorescence enhancement/quenching interactions. For each system, a dye-doped silica core is surrounded by a 15 nm spacer region, which in turn is surrounded by gold nanoparticles (GNPs). The GNPs are either covalently conjugated via mercapto silanization to the spacer or encapsulated in a separate external silica shell. The intermediate spacer region can be either dye doped or left undoped to enable quenching and plasmonic enhancement effects respectively. The study indicates that there is a larger enhancement effect when GNPs are encapsulated in the outer shell compared to the system of external conjugation. This is due to the environmental shielding provided by shell encapsulation compared to the exposure of the GNPs to the solvent environment for the externally conjugated system. The fluorescence signal enhancement of the nanohybrid systems was evaluated using a standard HRP-anti-HRP fluorescence based assay platform.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. Finite-element modeling of layered, anisotropic composite plates and shells: A review of recent research

    NASA Technical Reports Server (NTRS)

    Reddy, J. N.

    1981-01-01

    Finite element papers published in the open literature on the static bending and free vibration of layered, anisotropic, and composite plates and shells are reviewed. A literature review of large-deflection bending and large-amplitude free oscillations of layered composite plates and shells is also presented. Non-finite element literature is cited for continuity of the discussion.

  16. Strain changes on the cortical shell of vertebral bodies due to spine ageing: a parametric study using a finite element model evaluated by strain measurements.

    PubMed

    Lu, Yongtao; Rosenau, Eike; Paetzold, Helge; Klein, Anke; Püschel, Klaus; Morlock, Michael M; Huber, Gerd

    2013-12-01

    The probability of fractures of the cortical shell of vertebral bodies increases as ageing progresses. Ageing involves all the spinal component changes. However, the effect of the spinal component ageing on the fracture risk of the cortical shell remains poorly understood. In this study, the influence of the ageing of the spinal components on cortical shell strain was investigated. A lumbar spinal specimen (L3-L5) was mechanically tested under a quasi-static axial compressive load. Clinical computed tomography images of the same specimen were used to create a corresponding finite element model. The material properties were determined by calibrating the finite element model using the L4 cortical shell strains of the anterior centre measurement site. The remaining experiment data (axial displacement, the intra-discal pressures, L4 cortical shell strain on the lateral measurement site) were used to evaluate the model. The individual ageing process of the six spinal components (cortical shell, cancellous bone, bony endplate, posterior elements, nucleus pulposus and annulus matrix) was simulated by changing their Young's moduli and Poisson's ratios, and the effect on cortical shell strain was investigated. Results show that the cortical shell strain is more sensitive to the ageing of the cortical shell and the cancellous bone than to the ageing of the nucleus pulposus, the annulus matrix, and the bony endplates and of the posterior elements. The results can help the clinicians focus on the aspects that mainly influence the vertebral cortex fracture risk factor.

  17. Phase field modeling of brittle fracture for enhanced assumed strain shells at large deformations: formulation and finite element implementation

    NASA Astrophysics Data System (ADS)

    Reinoso, J.; Paggi, M.; Linder, C.

    2017-02-01

    Fracture of technological thin-walled components can notably limit the performance of their corresponding engineering systems. With the aim of achieving reliable fracture predictions of thin structures, this work presents a new phase field model of brittle fracture for large deformation analysis of shells relying on a mixed enhanced assumed strain (EAS) formulation. The kinematic description of the shell body is constructed according to the solid shell concept. This enables the use of fully three-dimensional constitutive models for the material. The proposed phase field formulation integrates the use of the (EAS) method to alleviate locking pathologies, especially Poisson thickness and volumetric locking. This technique is further combined with the assumed natural strain method to efficiently derive a locking-free solid shell element. On the computational side, a fully coupled monolithic framework is consistently formulated. Specific details regarding the corresponding finite element formulation and the main aspects associated with its implementation in the general purpose packages FEAP and ABAQUS are addressed. Finally, the applicability of the current strategy is demonstrated through several numerical examples involving different loading conditions, and including linear and nonlinear hyperelastic constitutive models.

  18. 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.

  19. 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.

  20. 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.

  1. A Purine Analog Synergizes with Chloroquine (CQ) by Targeting Plasmodium falciparum Hsp90 (PfHsp90)

    PubMed Central

    Shahinas, Dea; Folefoc, Asongna; Taldone, Tony; Chiosis, Gabriela; Crandall, Ian; Pillai, Dylan R.

    2013-01-01

    Background Drug resistance, absence of an effective vaccine, and inadequate public health measures are major impediments to controlling Plasmodium falciparum malaria worldwide. The development of antimalarials to which resistance is less likely is paramount. To this end, we have exploited the chaperone function of P. falciparum Hsp90 (PfHsp90) that serves to facilitate the expression of resistance determinants. Methods The affinity and activity of a purine analogue Hsp90 inhibitor (PU-H71) on PfHsp90 was determined using surface plasmon resonance (SPR) studies and an ATPase activity assay, respectively. In vitro, antimalarial activity was quantified using flow cytometry. Interactors of PfHsp90 were determined by LC-MS/MS. In vivo studies were conducted using the Plasmodium berghei infection mouse model. Results PU-H71 exhibited antimalarial activity in the nanomolar range, displayed synergistic activity with chloroquine in vitro. Affinity studies reveal that the PfHsp90 interacts either directly or indirectly with the P. falciparum chloroquine resistance transporter (PfCRT) responsible for chloroquine resistance. PU-H71 synergized with chloroquine in the P.berghei mouse model of malaria to reduce parasitemia and improve survival. Conclusions We propose that the interaction of PfHsp90 with PfCRT may account for the observed antimalarial synergy and that PU-H71 is an effective adjunct for combination therapy. PMID:24098696

  2. Evidence for Symplectic Symmetry in AbInitio No-Core Shell Model Results for Light Nuclei

    NASA Astrophysics Data System (ADS)

    Dytrych, Tomáš; Sviratcheva, Kristina D.; Bahri, Chairul; Draayer, Jerry P.; Vary, James P.

    2007-04-01

    Clear evidence for symplectic symmetry in low-lying states of C12 and O16 is reported. Eigenstates of C12 and O16, determined within the framework of the no-core shell model using the J-matrix inverse scattering potential with A≤16 (JISP16) nucleon-nucleon (NN) realistic interaction, typically project at the 85% 90% level onto a few of the most deformed symplectic basis states that span only a small fraction of the full model space. The results are nearly independent of whether the bare or renormalized effective interactions are used in the analysis. The outcome confirms Elliott’s SU(3) model which underpins the symplectic scheme, and above all, points to the relevance of a symplectic no-core shell model that can reproduce experimental B(E2) values without effective charges as well as deformed spatial modes associated with clustering phenomena in nuclei.

  3. Palm oil fruit shells as biosorbent for copper removal from water and wastewater: experiments and sorption models.

    PubMed

    Hossain, M A; Ngo, H H; Guo, W S; Nguyen, T V

    2012-06-01

    Palm oil fruit shells were evaluated as a new bioadsorbent to eliminate toxic copper from water and wastewater. Without any chemical treatment, palm oil fruit shells were washed, dried and grounded into powder (<75 μm) for use in the experiments. Characterization showed mesopore based bioadsorbent was prepared from palm oil fruit shells. The results indicate that the highest Cu removal efficiency was found in an aqueous solution with pH of 6.5. The equilibrium sorption capacity of copper was significantly high (between 28 and 60 mg/g) at room temperature. Nonlinear regression analyses for isotherm models revealed that three-parameter isotherms had a better fit to the experimental data (R(2)>0.994) than that of two-parameter isotherms. The copper sorption system was heterogeneous as the values of exponents were lying between 0 and 1. The highly correlated pseudo-second-order kinetics model (R(2)>0.998) ascertained the applicability of copper removal by palm oil fruit shells.

  4. Kinetics modelling of Cu(II) biosorption on to coconut shell and Moringa oleifera seeds from tropical regions.

    PubMed

    Acheampong, Mike A; Pereira, Joana P C; Meulepas, Roel J W; Lens, Piet N L

    2012-01-01

    Adsorption kinetic studies are of great significance in evaluating the performance of a given adsorbent and gaining insight into the underlying mechanism. This work investigated the sorption kinetics of Cu(II) on to coconut shell and Moringa oleifera seeds using batch techniques. To understand the mechanisms of the biosorption process and the potential rate-controlling steps, kinetic models were used to fit the experimental data. The results indicate that kinetic data were best described by the pseudo-second-order model with correlation coefficients (R2) of 0.9974 and 0.9958 for the coconut shell and Moringa oleifera seeds, respectively. The initial sorption rates obtained for coconut shell and Moringa oleifera seeds were 9.6395 x 10(-3) and 8.3292 x 10(-2) mg g(-1) min(-1), respectively. The values of the mass transfer coefficients obtained for coconut shell (1.2106 x 10(-3) cm s(-1)) and Moringa oleifera seeds (8.965 x 10(-4) cm s(-1)) indicate that the transport of Cu(II) from the bulk liquid to the solid phase was quite fast for both materials investigated. The results indicate that intraparticle diffusion controls the rate of sorption in this study; however, film diffusion cannot be neglected, especially at the initial stage of sorption.

  5. Modeling adsorption kinetics of trichloroethylene onto biochars derived from soybean stover and peanut shell wastes.

    PubMed

    Ahmad, Mahtab; Lee, Sang Soo; Oh, Sang-Eun; Mohan, Dinesh; Moon, Deok Hyun; Lee, Young Han; Ok, Yong Sik

    2013-12-01

    Trichloroethylene (TCE) is one of the most hazardous organic pollutants in groundwater. Biochar produced from agricultural waste materials could serve as a novel carbonaceous adsorbent for removing organic contaminants from aqueous media. Biochars derived from pyrolysis of soybean stover at 300 °C and 700 °C (S-300 and S-700, respectively), and peanut shells at 300 °C and 700 °C (P-300 and P-700, respectively) were utilized as carbonaceous adsorbents to study batch aqueous TCE remediation kinetics. Different rate-based and diffusion-based kinetic models were adopted to understand the TCE adsorption mechanism on biochars. With an equilibrium time of 8-10 h, up to 69 % TCE was removed from water. Biochars produced at 700 °C were more effective than those produced at 300 °C. The P-700 and S-700 had lower molar H/C and O/C versus P-300 and S-300 resulting in high aromaticity and low polarity accompanying with high surface area and high adsorption capacity. The pseudo-second order and intraparticle diffusion models were well fitted to the kinetic data, thereby, indicating that chemisorption and pore diffusion were the dominating mechanisms of TCE adsorption onto biochars.

  6. Gamow-Teller Strength in the A=14 Multiplet: A Challenge to the Shell Model

    SciTech Connect

    Negret, A; Adachi, T; Barrett, B R; Baumer, C; den Berg, A v; Berg, G; von Brentano, P; Frekers, D; De Frenne, D; Fujita, H; Fujita, K; Fujita, Y; Grewe, E; Haefner, P; Harakeh, M; Hatanaka, K; Heyde, K; Hunyadi, M; Jacobs, E; Kalmykov, Y; Korff, A; Nakanishi, K; Navratil, P; von Neumann-Cosel, P; Popescu, L; Rakers, S; Richter, A; Ryezayeva, N; Sakemi, Y; Schevchenko, A; Shimbara, Y; Shimizu, Y; Tameshige, Y; Tamii, A; Uchida, M; Vary, J; Wortche, H; Yosoi, M; Zamick, L

    2006-08-07

    A new experimental approach to the famous problem of the anomalously slow Gamow-Teller (GT) transitions in the {beta} decay of the A = 14 multiplet is presented. The GT strength distributions to excited states in {sup 14}C and {sup 14}O was studied in high-resolution (d,{sup 2}He) and ({sup 3}He,t) charge-exchange reactions on {sup 14}N. No-core shell-model (NCSM) calculations capable of reproducing the suppression of the {beta} decays predict a selective excitation of J{sup {pi}} = 2{sup +} states. The experimental confirmation represents a validation of the assumptions about the underlying structure of the {sup 14}N ground state wave function. However, the fragmentation of the GT strength over three 2{sup +} final states remains a fundamental issue not explained by the present NCSM using a 6 {h_bar}{omega} model space, suggesting possibly the need to include cluster structure in these light nuclei in a consistent way.

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

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

    SciTech Connect

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

    2015-06-03

    In this paper, we precisely determine the infrared (IR) length scale of the no-core shell model (NCSM). In the NCSM, the A-body Hilbert space is truncated by the total energy, and the IR length can be determined by equating the intrinsic kinetic energy of A nucleons in the NCSM space to that of A nucleons in a 3(A-1)-dimensional hyper-radial well with a Dirichlet boundary condition for the hyper radius. We demonstrate that this procedure indeed yields a very precise IR length by performing large-scale NCSM calculations for 6Li. We apply our result and perform accurate IR extrapolations for bound states of 4He, 6He, 6Li, and 7Li. Finally, we also attempt to extrapolate NCSM results for 10B and 16O with bare interactions from chiral effective field theory over tens of MeV.

  15. Biomechanics of cell membrane under low-frequency time-varying magnetic field: a shell model.

    PubMed

    Ye, Hui; Curcuru, Austen

    2016-12-01

    Cell membrane deforms in the electromagnetic field, suggesting an interesting control of cellular physiology by the field. Previous research has focused on the biomechanical analysis of membrane deformation under electric fields that are generated by electrodes. An alternative, noninvasive method to generate an electric field is the use of electromagnetic induction with a time-varying magnetic field, such as that used for transcranial magnetic stimulation (TMS). Although references reporting the magnetic control of cellular mechanics have recently emerged, theoretical analysis of the membrane biomechanics under a time-varying magnetic field is inadequate. We developed a cell model that included the membrane as a low-conductive, capacitive shell and investigated the electric pressure generated on the membrane by a low-frequency magnetic field (0-200 kHz). Our results show that externally applied magnetic field induced surface charges on both sides of the membrane. The charges interacted with the induced electric field to produce a radial pressure upon the membrane. Under the low-frequency range, the radial pressure pulled the cell membrane along the axis that was defined by the magnetically induced electric field. The radial pressure was a function of the field frequency, the conductivity ratio of the cytoplasm to the medium, and the size of the cell. It is quantitatively insignificant in deforming the membrane at the frequency used in TMS, but could be significant at a relatively higher-frequency range (>100 kHz).

  16. 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.

  17. 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.

  18. Variational principles for buckling of microtubules modeled as nonlocal orthotropic shells.

    PubMed

    Adali, Sarp

    2014-01-01

    A variational principle for microtubules subject to a buckling load is derived by semi-inverse method. The microtubule is modeled as an orthotropic shell with the constitutive equations based on nonlocal elastic theory and the effect of filament network taken into account as an elastic surrounding. Microtubules can carry large compressive forces by virtue of the mechanical coupling between the microtubules and the surrounding elastic filament network. The equations governing the buckling of the microtubule are given by a system of three partial differential equations. The problem studied in the present work involves the derivation of the variational formulation for microtubule buckling. The Rayleigh quotient for the buckling load as well as the natural and geometric boundary conditions of the problem is obtained from this variational formulation. It is observed that the boundary conditions are coupled as a result of nonlocal formulation. It is noted that the analytic solution of the buckling problem for microtubules is usually a difficult task. The variational formulation of the problem provides the basis for a number of approximate and numerical methods of solutions and furthermore variational principles can provide physical insight into the problem.

  19. Thin-shell modeling of neotectonics in the Azores-Gibraltar Region

    NASA Astrophysics Data System (ADS)

    Jiménez-Munt, Ivone; Bird, Peter; Fernàndez, Manel

    We applied the thin-shell neotectonic modeling method to study the neotectonics of the Africa/Eurasia plate boundary in the Azores-Gibraltar region. The plate boundary consists of a simple fault system running from Azores to the Gorringe Bank where it branches along the Betics and Rift-Tell thrust fronts. Major faults in west Iberia and NW Africa have also been incorporated. Results are compared with seismic strain rates, fault slip rates and stress orientations. The best estimate for the fault friction coefficient is 0.1-0.15 meaning that the plate-boundary is only about 1/4 as strong as the adjacent lithosphere. The largest fault slip rates (>1.5 mm/yr) are obtained along the Gloria fault (strike-slip), and the Betic (transpressive) and Rif-Tell (compressive) thrust systems. Whereas tectonic activity in the Atlas region is comparable to that obtained along the plate boundary, the fault slip rates in the west Iberia fault systems are one order of magnitude less.

  20. Refined similarity hypotheses in shell models of homogeneous turbulence and turbulent convection.

    PubMed

    Ching, Emily S C; Guo, H; Lo, T S

    2008-08-01

    A major challenge in turbulence research is to understand from first principles the origin of the anomalous scaling of velocity fluctuations in high-Reynolds-number turbulent flows. One important idea was proposed by Kolmogorov [J. Fluid Mech. 13, 82 (1962)], which attributes the anomaly to variations of the locally averaged energy dissipation rate. Kraichnan later pointed out [J. Fluid Mech. 62, 305 (1973)] that the locally averaged energy dissipation rate is not an inertial-range quantity and a proper inertial-range quantity would be the local energy transfer rate. As a result, Kraichnan's idea attributes the anomaly to variations of the local energy transfer rate. These ideas, generally known as refined similarity hypotheses, can also be extended to study the anomalous scaling of fluctuations of an active scalar, such as the temperature in turbulent convection. We examine the validity of these refined similarity hypotheses and their extensions to an active scalar in shell models of homogeneous turbulence and turbulent convection. We find that Kraichnan's refined similarity hypothesis and its extension are valid.

  1. 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

  2. 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.

  3. The specific edge effects of 2D core/shell model for spin-crossover nanoparticles

    NASA Astrophysics Data System (ADS)

    Muraoka, Azusa; Boukheddaden, Kamel; Linarès, Jorge; Varret, Francois

    2012-02-01

    We analyzed the size effect of spin-crossover nanoparticles at the edges of the 2D square lattices core/shell model, where the edge atoms are constrained to the high spin (HS) state. We performed MC simulations using the Ising-like Hamiltonian, [ H=-J∑(i,j)∑l i'=±1; j'=±1 S( i,j )S( i+i',j+j' ) +( δ2-kBT2g )∑(i,j)S( i,j ) ] The molar entropy change is δS 50J/K/mol, lng=δS/R 6 (R is the perfect gas constant), energy gap is δ=1300K. The HS fixed edges were based on the observation of an increasing residual HS fraction at low temperature upon particle size reduction. This specific boundary condition acts as a negative pressure which shifts downwards the equilibrium temperature. The interplay between the equilibrium temperature (=δ/kBlng) variation and the expected variation of the effective interactions in the system leads to a non-monotonous dependence of the hysteresis loop width upon the particle size. We described how the occurrence condition of the first-order transition has to be adapted to the nanoscale.

  4. 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

  5. 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.

  6. Theoretical analysis of coverage-dependent rotational hindrance of PF 3 adsorbed on Ru(001)

    NASA Astrophysics Data System (ADS)

    Kaji, H.; Kakitani, K.; Yagi, Y.; Yoshimori, A.

    1996-08-01

    Distribution of the azimuthal orientation of PF 3 molecules adsorbed on Ru(001) measured by ESDIAD shows interesting temperature and coverage dependences. It is interpreted in this analysis as due to the short range order in the locative distribution of the PF 3 molecules. Monte Carlo simulations are performed to obtain the temperature and coverage-dependent distribution of the adsorbed molecules. The distribution of the azimuthal orientation of the molecule is discussed on the basis of the obtained locative distribution of the molecules by using simple models for rotational hindrance to be compared with the experimental results.

  7. A nonlocal shell theory model for evaluation of thermoelastic damping in the vibration of a double-walled carbon nanotube

    NASA Astrophysics Data System (ADS)

    Hoseinzadeh, M. S.; Khadem, S. E.

    2014-03-01

    Thermoelastic damping (TED) is a major factor of dissipating energy in the vibration control of nanodevices. On the other hand, application of classic theory in the study of nanostructures is not reasonable. In this paper, a model based on nonlocal shell theory, accounting for the small-scale effects, is used to investigate thermoelastic vibration behavior and damping of double-walled carbon nanotubes (DWCNTs) with simply supported boundary conditions. The inner and outer carbon nanotubes are considered as two individual thin shells. The set of general thermoelastic coupled equations are numerically solved. The results show that the small-scale effects decrease natural frequencies and increase thermoelastic damping compared to the local model, especially for the coaxial frequency and large circumferential wave numbers. The numerical results also show that when the radius of nanotubes rises, the influence of small-size effect on natural frequencies and thermoelastic damping drops dramatically.

  8. Three-body forces and persistence of spin-orbit shell gaps in medium-mass nuclei: Toward the doubly magic 78Ni

    NASA Astrophysics Data System (ADS)

    Sieja, K.; Nowacki, F.

    2012-05-01

    We present state-of-the-art shell-model calculations in a large model space (pf for protons, fpgd for neutrons), which allows us to study simultaneously excitations across the Z=28 and N=50 shell gaps. We explore the region in the vicinity of 78Ni, which is a subject of intense experimental investigations. Our calculations correctly account for the known low-lying excited states in this region, including those which may correspond to cross-shell excitations. We observe the minimum of the N=50 mass gap at Z=32 consistent with experimental data and its further increase toward Z=28, indicating a robustness of the N=50 gap in 78Ni. The evolution of the N=50 gap along the nickel chain is shown to bear similarities to what is known in oxygen and calcium chains, providing a new opportunity for the studies of three-body monopole effects in medium-mass nuclei.

  9. 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.

  10. Structure of high spin state in proton-rich 74,76,78Kr isotopes: A projected shell model description

    NASA Astrophysics Data System (ADS)

    Liu, YanXin; Yu, ShaoYing; Shen, CaiWan

    2015-01-01

    The N≈ Z nuclei in the mass A˜80 region has been researched because of an abundance of nuclear structure phenomena. The projected shell model (PSM) was adopted to investigate the structure of high spin state in proton-rich 74,76,78Kr isotopes including yrast spectra, moment of inertia, electric quadrupole transitions and the behavior of single particle. The calculated results are in good agreement with available data and the shape coexistence in low-spin is also discussed.

  11. 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.

  12. 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.

  13. Low Mach Number Modeling of Convection in Helium Shells on Sub-Chandrasekhar White Dwarfs. I. Methodology

    NASA Astrophysics Data System (ADS)

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

    2013-02-01

    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.

  14. 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.

  15. Relationships between Holland's VPI and Cattell's 16PF

    ERIC Educational Resources Information Center

    Ward, G. Robert; And Others

    1976-01-01

    The Vocational Preference Inventory (VPI) and the Sixteen Personality Factors Questionnaire (16PF) were administered to 425 undergraduate students and compared using canonical analysis. The contributions of the scales of the VPI and the 16PF to the three relationships supported Hollans's theory of vocational choice, the use of the VPI for…

  16. 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.

  17. 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

  18. 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.

  19. A restricted-open-shell complete-basis-set model chemistry

    NASA Astrophysics Data System (ADS)

    Wood, Geoffrey P. F.; Radom, Leo; Petersson, George A.; Barnes, Ericka C.; Frisch, Michael J.; Montgomery, John A.

    2006-09-01

    A restricted-open-shell model chemistry based on the complete basis set-quadratic Becke3 (CBS-QB3) model is formulated and denoted ROCBS-QB3. As the name implies, this method uses spin-restricted wave functions, both for the direct calculations of the various components of the electronic energy and for extrapolating the correlation energy to the complete-basis-set limit. These modifications eliminate the need for empirical corrections that are incorporated in standard CBS-QB3 to compensate for spin contamination when spin-unrestricted wave functions are used. We employ an initial test set of 19 severely spin-contaminated species including doublet radicals and both singlet and triplet biradicals. The mean absolute deviation (MAD) from experiment for the new ROCBS-QB3 model (3.6±1.5kJmol-1) is slightly smaller than that of the standard unrestricted CBS-QB3 version (4.8±1.5kJmol-1) and substantially smaller than the MAD for the unrestricted CBS-QB3 before inclusion of the spin correction (16.1±1.5kJmol-1). However, when applied to calculate the heats of formation at 298K for the moderately spin-contaminated radicals in the G2/97 test set, ROCBS-QB3 does not perform quite as well as the standard unrestricted CBS-QB3, with a MAD from experiment of 3.8±1.6kJmol-1 (compared with 2.9±1.6kJmol-1 for standard CBS-QB3). ROCBS-QB3 performs marginally better than standard CBS-QB3 for the G2/97 set of ionization energies with a MAD of 4.1±0.1kJmol-1 (compared with 4.4±0.1kJmol-1) and electron affinities with a MAD of 3.9±0.2kJmol-1 (compared with 4.3±0.2kJmol-1), but the differences in MAD values are comparable to the experimental uncertainties. Our overall conclusion is that ROCBS-QB3 eliminates the spin correction in standard CBS-QB3 with no loss in accuracy.

  20. A restricted-open-shell complete-basis-set model chemistry.

    PubMed

    Wood, Geoffrey P F; Radom, Leo; Petersson, George A; Barnes, Ericka C; Frisch, Michael J; Montgomery, John A

    2006-09-07

    A restricted-open-shell model chemistry based on the complete basis set-quadratic Becke3 (CBS-QB3) model is formulated and denoted ROCBS-QB3. As the name implies, this method uses spin-restricted wave functions, both for the direct calculations of the various components of the electronic energy and for extrapolating the correlation energy to the complete-basis-set limit. These modifications eliminate the need for empirical corrections that are incorporated in standard CBS-QB3 to compensate for spin contamination when spin-unrestricted wave functions are used. We employ an initial test set of 19 severely spin-contaminated species including doublet radicals and both singlet and triplet biradicals. The mean absolute deviation (MAD) from experiment for the new ROCBS-QB3 model (3.6+/-1.5 kJ mol(-1)) is slightly smaller than that of the standard unrestricted CBS-QB3 version (4.8+/-1.5 kJ mol(-1)) and substantially smaller than the MAD for the unrestricted CBS-QB3 before inclusion of the spin correction (16.1+/-1.5 kJ mol(-1)). However, when applied to calculate the heats of formation at 298 K for the moderately spin-contaminated radicals in the G2/97 test set, ROCBS-QB3 does not perform quite as well as the standard unrestricted CBS-QB3, with a MAD from experiment of 3.8+/-1.6 kJ mol(-1) (compared with 2.9+/-1.6 kJ mol(-1) for standard CBS-QB3). ROCBS-QB3 performs marginally better than standard CBS-QB3 for the G2/97 set of ionization energies with a MAD of 4.1+/-0.1 kJ mol(-1) (compared with 4.4+/-0.1 kJ mol(-1)) and electron affinities with a MAD of 3.9+/-0.2 kJ mol(-1) (compared with 4.3+/-0.2 kJ mol(-1)), but the differences in MAD values are comparable to the experimental uncertainties. Our overall conclusion is that ROCBS-QB3 eliminates the spin correction in standard CBS-QB3 with no loss in accuracy.

  1. 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.

  2. 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…

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. Shell-model calculations of isovector electromagnetic transitions and Gamow-Teller beta decays in the N~=28 region

    NASA Astrophysics Data System (ADS)

    Yokoyama, Atsushi; Horie, Hisashi

    1988-08-01

    Isovector E2 and M1 transitions from isobaric analog states of the N=29 isotones to low-lying states in the N=28 isotones are discussed by making use of the shell model. The fn-17/2j and the fn7/2+fn-17/2j configurations are assumed for the N=29 and N=28 isotones, respectively, where j denotes one of the p3/2, p1/2, and f5/2 orbits. First, the model space is restricted to j=p3/2 only, and it is extended to include all the p3/2, p1/2, and f5/2 orbits, in order to study stepwise the role of the various wave function components. For the isovector E2 transitions, it is confirmed that the major components of the wave functions play a decisive role for the allowed transitions in the single-particle shell model and the use of the good isospin wave functions is indispensable for the forbidden ones. For the isovector M1 transitions, it is shown that the spin-nonflip f7/2-->f7/2 transition, which is introduced by the neutron-excited components in the wave functions of the N=28 isotones, plays a very significant role: It gives rise to the important cancellation which is responsible for the strong suppression of the M1 transition strength in comparison with the simple shell-model prediction, and it becomes the leading term in the l- and j-forbidden M1 transitions. Similar discussion holds for the Gamow-Teller beta decays between the levels of the N=28 and N=29 nuclei.

  9. PfCRT and its role in antimalarial drug resistance

    PubMed Central

    Ecker, Andrea; Lehane, Adele M.; Clain, Jérôme; Fidock, David A.

    2012-01-01

    Plasmodium falciparum resistance to chloroquine, the former gold standard antimalarial drug, is mediated primarily by mutant forms of the ‘Chloroquine Resistance Transporter’ (PfCRT). These mutations impart upon PfCRT the ability to efflux chloroquine from the intracellular digestive vacuole, the site of drug action. Recent studies reveal that PfCRT variants can also affect parasite fitness, protect immature gametocytes against chloroquine action, and alter P. falciparum susceptibility to current first-line therapies. These results highlight the need to be vigilant in screening for the appearance of novel pfcrt alleles that could contribute to new multi-drug resistance phenotypes. PMID:23020971

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

    SciTech Connect

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

    2008-03-14

    An experimental study has been made of thermal electron attachment to the transition-metal trifluorophosphine complexes Ni(PF{sub 3}){sub 4} and Pt(PF{sub 3}){sub 4} using a flowing-afterglow Langmuir-probe apparatus. Both complexes are efficient at electron attachment, although the rate constants are somewhat less than collisional. The rate constant for electron attachment to Ni(PF{sub 3}){sub 4} is 1.9x10{sup -7} cm{sup 3} s{sup -1} at room temperature, about a factor of 2 less than collisional. The activation energy is 39{+-}5 meV for the attachment reaction. The rate constant for electron attachment to Pt(PF{sub 3}){sub 4} is 5.4x10{sup -8} cm{sup 3} s{sup -1} at room temperature, and the activation energy is 84{+-}8 meV. For both complexes, a PF{sub 3} ligand is lost on electron attachment, and only the M(PF{sub 3}){sub 3}{sup -} ion is observed in the negative-ion mass spectrum. Density functional calculations were carried out on Ni(PF{sub 3}){sub 4} and various fragments in order to describe the thermochemistry of the attachment reaction.

  11. 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.

  12. New development of the projected shell model and description of low-lying collective states in transitional nuclei

    NASA Astrophysics Data System (ADS)

    Chen, Fang-Qi; Sun, Yang

    2013-12-01

    Description of the interplay between different nuclear shapes is an interesting but challenging problem. The original projected shell model (PSM) is applicable to nuclei with fixed shapes. We extend the PSM by superimposing (angular-momentum- and particle-number-) projected product wave functions in the spirit of the generate coordinate method. With this development, the Gd isotopes across the N = 90 region are studied, and the results indicate spectroscopic features of shape phase transition with varying neutron number. In order to illustrate the shape distribution in microscopic wave functions, we introduce a deformation representation and show that the collectively excited Kπ = 0+ states in the Gd isotopes have characters of shape vibration.

  13. 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

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

    PubMed

    Rupesh, Shanmughom; Muraleedharan, Chandrasekharan; Arun, Palatel

    2014-01-01

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

  15. Protection against Plasmodium falciparum malaria by PfSPZ Vaccine

    PubMed Central

    Epstein, Judith E.; Paolino, Kristopher M.; Richie, Thomas L.; Sedegah, Martha; Singer, Alexandra; Ruben, Adam J.; Chakravarty, Sumana; Stafford, April; Ruck, Richard C.; Eappen, Abraham G.; Billingsley, Peter F.; Manoj, Anita; Moser, Kara; Nielsen, Robin; Tosh, Donna; Cicatelli, Susan; Ganeshan, Harini; Case, Jessica; Padilla, Debbie; Davidson, Silas; Saverino, Elizabeth; Murshedkar, Tooba; Gunasekera, Anusha; Twomey, Patrick S.; Reyes, Sharina; Moon, James E.; James, Eric R.; KC, Natasha; Li, Minglin; Abot, Esteban; Belmonte, Arnel; Hauns, Kevin; Belmonte, Maria; Huang, Jun; Vasquez, Carlos; Remich, Shon; Carrington, Mary; Abebe, Yonas; Tillman, Amy; Hickey, Bradley; Regules, Jason; Villasante, Eileen; Sim, B. Kim Lee

    2017-01-01

    BACKGROUND: A radiation-attenuated Plasmodium falciparum (Pf) sporozoite (SPZ) malaria vaccine, PfSPZ Vaccine, protected 6 of 6 subjects (100%) against homologous Pf (same strain as in the vaccine) controlled human malaria infection (CHMI) 3 weeks after 5 doses administered intravenously. The next step was to assess protective efficacy against heterologous Pf (different from Pf in the vaccine), after fewer doses, and at 24 weeks. METHODS: The trial assessed tolerability, safety, immunogenicity, and protective efficacy of direct venous inoculation (DVI) of 3 or 5 doses of PfSPZ Vaccine in non-immune subjects. RESULTS: Three weeks after final immunization, 5 doses of 2.7 × 105 PfSPZ protected 12 of 13 recipients (92.3% [95% CI: 48.0, 99.8]) against homologous CHMI and 4 of 5 (80.0% [10.4, 99.5]) against heterologous CHMI; 3 doses of 4.5 × 105 PfSPZ protected 13 of 15 (86.7% [35.9, 98.3]) against homologous CHMI. Twenty-four weeks after final immunization, the 5-dose regimen protected 7 of 10 (70.0% [17.3, 93.3]) against homologous and 1 of 10 (10.0% [–35.8, 45.6]) against heterologous CHMI; the 3-dose regimen protected 8 of 14 (57.1% [21.5, 76.6]) against homologous CHMI. All 22 controls developed Pf parasitemia. PfSPZ Vaccine was well tolerated, safe, and easy to administer. No antibody or T cell responses correlated with protection. CONCLUSIONS: We have demonstrated for the first time to our knowledge that PfSPZ Vaccine can protect against a 3-week heterologous CHMI in a limited group of malaria-naive adult subjects. A 3-dose regimen protected against both 3-week and 24-week homologous CHMI (87% and 57%, respectively) in this population. These results provide a foundation for developing an optimized immunization regimen for preventing malaria. TRIAL REGISTRATION: ClinicalTrials.gov NCT02215707. FUNDING: Support was provided through the US Army Medical Research and Development Command, Military Infectious Diseases Research Program, and the Naval Medical Research

  16. 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.

  17. Design of cryogenic tanks for space vehicles shell structures analytical modeling

    NASA Technical Reports Server (NTRS)

    Copper, Charles; Mccarthy, K.; Pilkey, W. D.; Haviland, J. K.

    1991-01-01

    The initial objective was to study the use of superplastically formed corrugated hat section stringers and frames in place of integrally machined stringers over separate frames for the tanks of large launch vehicles subjected to high buckling loads. The ALS was used as an example. The objective of the follow-on project was to study methods of designing shell structures subjected to severe combinations of structural loads and thermal gradients, with emphasis on new combinations of structural arrangements and materials. Typical applications would be to fuselage sections of high speed civil transports and to cryogenic tanks on the National Aerospace Plane.

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

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

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

  19. 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

  20. Electron attachment to SF{sub 4}, SF{sub 6}; PF{sub 3}, and PF {sub 5}

    SciTech Connect

    Miller, T.M.; Stevens Miller, A.E.; Paulson, J.F.

    1993-05-01

    Intriguing comparisons may be drawn between SF{sub 4} and SF{sub 6} in their interactions with photons, electrons, ions, and molecules. We have found that the temperature dependence of the rate coefficient for electron attachment to SF{sub 4} closely parallels that for attachment to SF{sub 6} over the temperature range of 300-550 K, but the attachment process is less efficient for SF{sub 4} by approximately a factor of 10. Both reactions are dominated by non-dissociative attachment in this temperature range; we find an activation energy of 0.42 eV for the production of SF{sub 5}{sup -} from attachment to SF{sub 6}. Equally interesting is a comparison between PF{sub 3} and PF{sub 5}. PF{sub 3} apparently does not attach electrons (and PF{sub 3}{sup -} has never been observed), while PF{sub 5} is found to undergo non-dissociative electron attachment at a rate 700 times slower than for SF{sub 6}. Attachment rate coefficients for SF{sub 4}, SF{sub 6}, and PF{sub 5} are nearly independent of temperature in the range studied. A flowing-afterglow Langmuir-probe apparatus was used in this work.

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

    PubMed Central

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

    2016-01-01

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

  2. Preclinical Evaluation of 18F-PF-05270430, a Novel PET Radioligand for the Phosphodiesterase 2A Enzyme

    PubMed Central

    Chen, Laigao; Nabulsi, Nabeel; Naganawa, Mika; Zasadny, Kenneth; Skaddan, Marc B.; Zhang, Lei; Najafzadeh, Soheila; Lin, Shu-fei; Helal, Christopher J.; Boyden, Tracey L.; Chang, Cheng; Ropchan, Jim; Carson, Richard E.; Villalobos, Anabella

    2016-01-01

    The enzyme phosphodiesterase 2A (PF-05270430) is a potential target for development of novel therapeutic agents for the treatment of cognitive impairments. The goal of the present study was to evaluate the PDE2A ligand 18F-PF-05270430, 4-(3-fluoroazetidin-1-yl)-7-methyl-5-(1-methyl-5-(4-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)imidazo[1,5-f][1,2,4]triazine, in nonhuman primates. Methods: 18F-PF-05270430 was radiolabeled by 2 methods via nucleophilic substitution of its tosylate precursor. Tissue metabolite analysis in rodents and PET imaging in nonhuman primates under baseline and blocking conditions were performed to determine the pharmacokinetic and binding characteristics of the new radioligand. Various kinetic modeling approaches were assessed to select the optimal method for analysis of imaging data. Results: 18F-PF-05270430 was synthesized in greater than 98% radiochemical purity and high specific activity. In the nonhuman primate brain, uptake of 18F-PF-05270430 was fast, with peak concentration (SUVs of 1.5–1.8 in rhesus monkeys) achieved within 7 min after injection. The rank order of uptake was striatum > neocortical regions > cerebellum. Regional time–activity curves were well fitted by the 2-tissue-compartment model and the multilinear analysis-1 (MA1) method to arrive at reliable estimates of regional distribution volume (VT) and binding potential (BPND) with 120 min of scan data. Regional VT values (MA1) ranged from 1.28 mL/cm3 in the cerebellum to 3.71 mL/cm3 in the putamen, with a BPND of 0.25 in the temporal cortex and 1.92 in the putamen. Regional BPND values estimated by the simplified reference tissue model (SRTM) were similar to those from MA1. Test–retest variability in high-binding regions (striatum) was 4% ± 6% for MA1 VT, 13% ± 6% for MA1 BPND, and 13% ± 7% SRTM BPND, respectively. Pretreatment of animals with the PDE2A inhibitor PF-05180999 resulted in a dose-dependent reduction of 18F-PF-05270430 specific binding, with a half

  3. 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.

  4. 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.

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

    SciTech Connect

    Dang, Liem X.; Chang, Tsun-Mei

    2016-09-02

    In this paper, we describe our efforts to apply rate theories in studies of solvent exchange around Li+(aq) and the kinetics of ion pairings in lithium-ion batteries (LIB). We report one of the first computer simulations of the exchange dynamics around hydrated Li+ in acetonitrile (ACN), which is 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+(aq). We calculate exchange rates using transition state theory and weighted them with transmission coefficients determined by the reactive flux and 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.

  6. 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.

  7. Modeling image interpretation in remote sensing through a virtual GIS shell (VGIS)

    NASA Astrophysics Data System (ADS)

    Ehlers, Manfred; Broesamle, Hartmut; Albrecht, Jochen

    1994-08-01

    Automatic capturing and updating of spatial data by means of remote sensing and image processing, nowadays, poses one of the major problems in the efficient use of geographic information systems (GIS). The paper describes a project that aims at the use of the `knowledge base' inherent in GIS for automatic interpretation of remote sensing images. The implementation and proficient use of GIS have become so complicated, that it is growing towards a domain in itself. As a first step of a subsequent integration, we propose the development of a `virtual GIS shell' (VGIS). It frees image analysts (as well as other GIS- Inexperienced users) from learning the internals of GIS to use this technology for their purposes. VGIS is a first step towards an automatic use of the immense knowledge and data incorporated in a GIS. VGIS allows users to deal with abstracted data, hiding technical information about the database and allowing them to concentrate on the users' tasks.

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

    PubMed Central

    2016-01-01

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

  9. 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.

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

    DOE PAGES

    Ford, William Paul; van Orden, Wally

    2013-11-25

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

  11. 21PF overpacks: Phenolic-foam induced corrosion

    SciTech Connect

    Kovac, F.M.

    1994-09-01

    The 21PF overpack was developed in the 1960s and approved for use in the 1970s by the US Department of Transportation (DOT). This package, used for the transport of uranium hexafluoride enriched >1%, has had a history of severe metal corrosion, water ingress, and subsequent leakage. Problems associated with corrosion and water leaking from 21PF overpacks caused the DOT to seek public comments and to undertake rulemaking action. As a result, the DOT required modifications and refurbishment of existing overpacks, and specification changes for the fabrication of new 21PF overpacks. Recent studies conducted by the roofing industry indicate that phenolic foam has caused severe corrosion in metal roofing structures, and its use is being curtailed. These findings need to be explored in order to determine if phenolic foam in 21PF overpacks causes corrosion and compromises the package integrity. Metallic corrosion induced by phenolic foam may affect the continued use of the 21PF overpack because damage to the structural integrity of the metal parts of the packaging will affect its ability to meet design specifications.

  12. Iron Oxide Nanoparticles: Tunable Size Synthesis and Analysis in Terms of the Core-Shell Structure and Mixed Coercive Model

    NASA Astrophysics Data System (ADS)

    Phong, P. T.; Oanh, V. T. K.; Lam, T. D.; Phuc, N. X.; Tung, L. D.; Thanh, Nguyen T. K.; Manh, D. H.

    2017-04-01

    Iron oxide nanoparticles (NPs) are currently a very active research field. To date, a comprehensive study of iron oxide NPs is still lacking not only on the size dependence of structural phases but also in the use of an appropriate model. Herein, we report on a systematic study of the structural and magnetic properties of iron oxide NPs prepared by a co-precipitation method followed by hydrothermal treatment. X-ray diffraction and transmission electron microscopy reveal that the NPs have an inverse spinel structure of iron oxide phase (Fe3O4) with average crystallite sizes ( D XRD) of 6-19 nm, while grain sizes ( D TEM) are of 7-23 nm. In addition, the larger the particle size, the closer the experimental lattice constant value is to that of the magnetite structure. Magnetic field-dependent magnetization data and analysis show that the effective anisotropy constants of the Fe3O4 NPs are about five times larger than that of their bulk counterpart. Particle size ( D) dependence of the magnetization and the non-saturating behavior observed in applied fields up to 50 kOe are discussed using the core-shell structure model. We find that with decreasing D, while the calculated thickness of the shell of disordered spins ( t ˜ 0.3 nm) remains almost unchanged, the specific surface areas S a increases significantly, thus reducing the magnetization of the NPs. We also probe the coercivity of the NPs by using the mixed coercive Kneller and Luborsky model. The calculated results indicate that the coercivity rises monotonously with the particle size, and are well matched with the experimental ones.

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

    PubMed

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

    2013-09-23

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

  14. 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.

  15. TMI MSLB analysis using TRAC-PF1 coupled with three-dimensional kinetics

    SciTech Connect

    Ivanov, K.N.; Macian, R.; Baratta, A.J.; Irani, A.; Folsom, J.W.; Trikouros, N.G.

    1996-07-01

    The Main Steam Line Break (MSLB) accident in a pressurized water reactor is characterized by significant space-time effects in the core caused by asymmetric cooling and assumed stuck-out rod during reactor trip. Simulation of transients involving asymmetric core power peaking requires evaluation of the core response from a multi-dimensional perspective. These effects are analyzed in this paper for TMI Cycle 10 using the TRAC-PF1/NEM computer code. The TRAC-PF1/NEM methodology utilizes a closely coupled transient three-dimensional thermal-hydraulics vessel and three-dimensional neutronics core models supplemented by 1D simulation of the remainder of the reactor coolant system. A comparison of the 3-D kinetics results to a compatible point kinetics prediction is also performed.

  16. 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.

  17. 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)

  18. 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.

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

    NASA Astrophysics Data System (ADS)

    Forssén, C.; Caurier, E.; Navrátil, P.

    2009-02-01

    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 Li11 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 Li6 quadrupole moment is reproduced, and with the CD-Bonn NN potential, also its correct sign.

  1. In-beam gamma-ray spectroscopy and shell-model description of 85,86Y isotopes

    NASA Astrophysics Data System (ADS)

    Rusu, C.; Ur, C. A.; Bucurescu, D.; Iordăchescu, A.; Mărginean, N.; Căta-Danil, G.; Căta-Danil, I.; Ionescu-Bujor, M.; Ivaşcu, M.; Bazzacco, D.; Kröll, T.; Lenzi, S.; Lunardi, S.; Menegazzo, R.; Rossi Alvarez, C.; de Angelis, G.; Gadea, A.; Napoli, D.

    2009-02-01

    The nuclei 85Y and 86Y were studied in two series of experiments conducted by using the heavy-ion reactions 76Ge( 14N, 4n) 86Y and 52Cr( 37Cl, 2p xn) 85,86Y. The analysis of double and triple coincidences of γ rays along with the investigation of angular distributions led to the extension of the level schemes of the 85Y and 86Y nuclei to spins and excitation energies higher than observed in previous experiments. In addition, a few new levels with low spins and excitation energies were identified in both nuclei. In order to better understand the nuclear structure of these isotopes, shell-model calculations were carried out considering a valence space formed by the proton and neutron orbitals f, p, p, and g.

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

    NASA Astrophysics Data System (ADS)

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

    2012-03-01

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

  3. Investigation of the Mg isotopes using the shell-model-like approach in relativistic mean field theory

    NASA Astrophysics Data System (ADS)

    Bai, Hong-Bo; Zhang, Zhen-Hua; Li, Xiao-Wei

    2016-11-01

    Ground state properties for Mg isotopes, including binding energies, one- and two-neutron separation energies, pairing energies, nuclear matter radii and quadrupole deformation parameters, are obtained from the self-consistent relativistic mean field (RMF) model with the pairing correlations treated by a shell-mode-like approach (SLAP), in which the particle-number is conserved and the blocking effects are treated exactly. The experimental data, including the binding energies and the one- and two-neutron separation energies, which are sensitive to the treatment of pairing correlations and block effects, are well reproduced by the RMF+SLAP calculations. Supported by NSFC (11465001,11275098, 11275248, 11505058,11165001) and Natural Science Foundation of Inner Mongolia of China (2016BS0102)

  4. 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.

  5. Shell-Model Calculations with Low-Momentum Nucleon-Nucleon Interactions Based upon Chiral Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Itaco, N.; Coraggio, L.; Covello, A.; Gargano, A.; Entem, D. R.; Kuo, T. T. S.; Machleidt, R.

    2008-04-01

    Recently a new low-momentum nucleon-nucleon potential (N3LOW) has been derived from chiral perturbation theory at next-to-next-to-next-to-Ieading order with a sharp low-momentum cutoff at 2.1 fm-1. In this work we compare its perturbative properties with those of a Vlow-k potential constructed from a realistic NN potential with high-momentum components. We have performed shell-model calculations for 18O using effective hamiltonians derived from both types of low-momentum potential. The results show that the N3LOW potential is suitable to be applied perturbatively in microscopic nuclear structure calculations yielding results quite close to those obtained from Vlow-k.

  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. 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.

  8. [Old Bad Pfäfers and its Paracelsus memorial].

    PubMed

    Broder, H

    1994-03-29

    About 1240, hunters of the Benedictine abbey Pfäfers detected a hot spring in the impassable Tamina gorge within the borders of the abbey, founded about 940 in the Franconian Churraetia: the famous thermal springs of Pfäfers. The followers of Benedikt of Nursia knew how to use the healing water for the benefit of ill people and founded thus the bathing tradition of Bad Pfäfers, famous for many centuries, and later of Bad Ragaz. In the summer of 1535 Paracelsus stayed in Bad Pfäfers as a guest of the abbot Johann Jakob Russinger. In the rough surroundings of the simple bath-houses near the origin of the spring in the dark 'Badtobel', the man from Hohenheim wrote, apart from a medical report for the sickly abbot, the famous script about bathing there: 'Vonn dem Bad Pfeffers in Oberschwytz gelegen, Tugenden, Krefften unnd Würckung, Ursprung unnd Herkommen, Regiment und Ordinanz'. Bad Pfäfers became famous in the German countries; in spite of all the difficulties to reach the place, the mineral spring became an important destination for countless people longing for health. In the year 1969 the services of the Old Bad Pfäfers have been discontinued. The zenith of the steady strive to ameliorate the effects of the healing water has been reached. Actual balneologic and medical measures in the health resort Bad Ragaz and on the sunny-terrace of Valens have taken the place of the old spa. Thanks to efforts over many years, means and ways have been found to avert demolition and to manage the stilish restoration of this last historic group of buildings in 'Badtobel' constructed at the beginning of the 18th century.(ABSTRACT TRUNCATED AT 250 WORDS)

  9. Resonance Scattering Analysis by Autoregressive Models Applied to Air-Filled, Cylindrical, Thin Walled Shells in Water

    DTIC Science & Technology

    1997-10-01

    plane wave by a circular cylindrical shell. Results of computations. Acustica - Acta Acustica , 82, 1996: 689-697. [5] de Billy M., Determination of the...circumferential waves on cylindrical elastic shells. Acustica - Acta Acustica , 82, 1996: 707-716. [14] Bhattacharyya G.K., and Johnson R.A., Statistical...22] Batard H, Talmant M., and Quentin G.J., The Acoustical Characteristics Estimation Method (MECA) applied to cylinders and shells. Acta Acustica

  10. 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

  11. 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.

  12. 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.

  13. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2014-05-01

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

  15. 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.}

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

    SciTech Connect

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

    2011-10-28

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

  17. Thin-shell wormholes in dilaton gravity

    SciTech Connect

    Eiroa, Ernesto F.; Simeone, Claudio

    2005-06-15

    In this work we construct charged thin-shell Lorentzian wormholes in dilaton gravity. The exotic matter required for the construction is localized in the shell and the energy conditions are satisfied outside the shell. The total amount of exotic matter is calculated and its dependence with the parameters of the model is analyzed.

  18. A stochastic version of the brass PF ratio adjustment of age-specific fertility schedules.

    PubMed

    Baker, Jack; Alcantara, Adélamar; Ruan, Xiaomin

    2011-01-01

    Estimates of age-specific fertility rates based on survey data are known to suffer down-bias associated with incomplete reporting. Previously, William Brass (1964, 1965, 1968) proposed a series of adjustments of such data to reflect more appropriate levels of fertility through comparison with data on children-ever-born by age, a measure of cohort-specific cumulative fertility. His now widely-used Parity/Fertility or PF ratio method makes a number of strong assumptions, which have been the focus of an extended discussion in the literature on indirect estimation. However, while it is clear that the measures used in making adjusted age-specific fertility estimates with this method are captured with statistical uncertainty, little discussion of the nature of this uncertainty around PF-ratio based estimates of fertility has been entertained in the literature. Since both age-specific risk of childbearing and cumulative parity (children ever born) are measured with statistical uncertainty, an unknown credibility interval must surround every PF ratio-based estimate. Using the standard approach, this is unknown, limiting the ability to make statistical comparisons of fertility between groups or to understand stochasticity in population dynamics. This paper makes use of approaches applied to similar problems in engineering, the natural sciences, and decision analysis--often discussed under the title of uncertainty analysis or stochastic modeling--to characterize this uncertainty and to present a new method for making PF ratio-based fertility estimates with 95 percent uncertainty intervals. The implications for demographic analysis, between-group comparisons of fertility, and the field of statistical demography are explored.

  19. Status of TRAC-PF1/MOD1 independent assessment at Sandia

    SciTech Connect

    Buxton, L.D.; Byers, R.K.; Dobranich, D.; Elrick, M.G.; Kmetyk, L.N.

    1985-01-01

    Sandia's TRAC-PF1/MOD1 independent assessment program is part of a multi-faceted effort sponsored by the NRC to determine the ability of various systems codes to predict the detailed thermal/hydraulic response of LWRs during accident and off-normal conditions. TRAC-PF1/MOD1 is being assessed against test data from various integral and separate effects experimental facilities. Results from our PKL natural circulation, NEPTUNUS pressurizer, B and W OTSG, Northwestern University condensing flow, and LOBI large break A1-04R and intermediate break B-RIM test analyses were reported at least year's WRSRIM; this paper presents the results of more recent work for Northwestern University perforated-plate CCFL, Dartmouth vertical tube countercurrent flow, LOFT large break L2-5, and Semiscale intermediate break S-IB-3, feedwater line break S-SF-3 and steamline break S-SF-5 tests. In the course of our TRAC-PF1/MOD1 assessment calculations, a number of coding, documentation and modeling inadequacies have been identified and reported to the code developers at LANL.

  20. 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.

  1. Atomic model of CPV reveals the mechanism used by this single-shelled virus to economically carry out functions conserved in multishelled reoviruses.

    PubMed

    Yu, Xuekui; Ge, Peng; Jiang, Jiansen; Atanasov, Ivo; Zhou, Z Hong

    2011-05-11

    Unlike the multishelled viruses in the Reoviridae, cytoplasmic polyhedrosis virus (CPV) is single shelled, yet stable and fully capable of carrying out functions conserved within Reoviridae. Here, we report a 3.1 Å resolution cryo electron microscopy structure of CPV and derive its atomic model, consisting of 60 turret proteins (TPs), 120 each of capsid shell proteins (CSPs) and large protrusion proteins (LPPs). Two unique segments of CSP contribute to CPV's stability: an inserted protrusion domain interacting with neighboring proteins, and an N-anchor tying up CSPs together through strong interactions such as β sheet augmentation. Without the need to interact with outer shell proteins, LPP retains only the N-terminal two-third region containing a conserved helix-barrel core and interacts exclusively with CSP. TP is also simplified, containing only domains involved in RNA capping. Our results illustrate how CPV proteins have evolved in a coordinative manner to economically carry out their conserved functions.

  2. A higher-order mathematical modeling for dynamic behavior of protein microtubule shell structures including shear deformation and small-scale effects.

    PubMed

    Daneshmand, Farhang; Farokhi, Hamed; Amabili, Marco

    2014-06-01

    Microtubules in mammalian cells are cylindrical protein polymers which structurally and dynamically organize functional activities in living cells. They are important for maintaining cell structures, providing platforms for intracellular transport, and forming the spindle during mitosis, as well as other cellular processes. Various in vitro studies have shown that microtubules react to applied mechanical loading and physical environment. To investigate the mechanisms underlying such phenomena, a mathematical model based on the orthotropic higher-order shear deformation shell formulation and Hamilton's principle is presented in this paper for dynamic behavior of microtubules. The numerical results obtained by the proposed shell model are verified by the experimental data from the literature, showing great consistency. The nonlocal elasticity theory is also utilized to describe the nano-scale effects of the microtubule structure. The wave propagation and vibration characteristics of the microtubule are examined in the presence and absence of the cytosol employing proposed formulations. The effects of different system parameters such as length, small scale parameter, and cytosol viscosity on vibrational behavior of a microtubule are elucidated. The definitions of critical length and critical viscosity are introduced and the results obtained using the higher order shell model are compared with those obtained employing a first-order shear deformation theory. This comparison shows that the small scale effects become important for higher values of the wave vector and the proposed model gives more accurate results for both small and large values of wave vectors. Moreover, it is shown that for higher circumferential wave number, the torsional wave velocity obtained by the higher-order shell model tend to be higher than the one predicted by the first-order shell model.

  3. 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.

  4. 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

  5. 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.

  6. 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

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  8. Modeling of absorption and scattering properties of core -shell nanoparticles for application as nanoantenna in optical domain

    NASA Astrophysics Data System (ADS)

    Devi, Jutika; Saikia, Rashmi; Datta, Pranayee

    2016-10-01

    The present paper describes the study of core-shell nanoparticles for application as nanoantenna in the optical domain. To obtain the absorption and extinction efficiencies as well as the angular distribution of the far field radiation pattern and the resonance wavelengths for these metal-dielectric, dielectric-metal and metal-metal core-shell nanoparticles in optical domain, we have used Finite Element Method based COMSOL Multiphysics Software and Mie Theory. From the comparative study of the extinction efficiencies of core-shell nanoparticles of different materials, it is found that for silica - gold core - shell nanoparticles, the resonant wavelength is greater than that of the gold - silver, silver-gold and gold-silica core - shell nanoparticles and also the radiation pattern of the silica-gold core-shell nanoparticle is the most suitable one from the point of view of directivity. The dielectric functions of the core and shell material as well as of the embedded matrix are extremely important and plays a very major role to tune the directivity and resonance wavelength. Such highly controllable parameters of the dielectric - metal core - shell nanoparticles make them suitable for efficient coupling of optical radiation into nanoscale structures for a broad range of applications in the field of communications.

  9. Batteries: Just a spoonful of LiPF6

    NASA Astrophysics Data System (ADS)

    Zheng, Guangyuan Wesley; Wei, Tang

    2017-03-01

    Deployment of lithium metal batteries requires fast charging capability and long-term cycling stability. Now, a small amount of LiPF6 in a dual salt electrolyte is shown to enable stable cycling of lithium metal batteries at fast charging rates.

  10. Spectroscopic constants and potential energy curves of PF

    NASA Astrophysics Data System (ADS)

    Latifzadeh, Lida; Balasubramanian, K.

    1995-09-01

    Spectroscopic constants of low-lying bound electronic states and potential energy curves of 19 electronic states of PF arising from the valence dissociation limits are computed using the complete active space self-consistent field (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods, which included up to 0.9 million configurations.

  11. 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.

  12. Type II shell evolution in A = 70 isobars from the N ≥ 40 island of inversion

    NASA Astrophysics Data System (ADS)

    Morales, A. I.; Benzoni, G.; Watanabe, H.; Tsunoda, Y.; Otsuka, T.; Nishimura, S.; Browne, F.; Daido, R.; Doornenbal, P.; Fang, Y.; Lorusso, G.; Patel, Z.; Rice, S.; Sinclair, L.; Söderström, P.-A.; Sumikama, T.; Wu, J.; Xu, Z. Y.; Yagi, A.; Yokoyama, R.; Baba, H.; Avigo, R.; Bello Garrote, F. L.; Blasi, N.; Bracco, A.; Camera, F.; Ceruti, S.; Crespi, F. C. L.; de Angelis, G.; Delattre, M.-C.; Dombradi, Zs.; Gottardo, A.; Isobe, T.; Kojouharov, I.; Kurz, N.; Kuti, I.; Matsui, K.; Melon, B.; Mengoni, D.; Miyazaki, T.; Modamio-Hoybjor, V.; Momiyama, S.; Napoli, D. R.; Niikura, M.; Orlandi, R.; Sakurai, H.; Sahin, E.; Sohler, D.; Schaffner, H.; Taniuchi, R.; Taprogge, J.; Vajta, Zs.; Valiente-Dobón, J. J.; Wieland, O.; Yalcinkaya, M.

    2017-02-01

    The level structures of 70Co and 70Ni, populated from the β decay of 70Fe, have been investigated using β-delayed γ-ray spectroscopy following in-flight fission of a 238U beam. The experimental results are compared to Monte-Carlo Shell-Model calculations including the pf +g9/2 +d5/2 orbitals. The strong population of a (1+) state at 274 keV in 70Co is at variance with the expected excitation energy of ∼1 MeV from near spherical single-particle estimates. This observation indicates a dominance of prolate-deformed intruder configurations in the low-lying levels, which coexist with the normal near spherical states. It is shown that the β decay of the neutron-rich A = 70 isobars from the new island of inversion to the Z = 28 closed-shell regime progresses in accordance with a newly reported type of shell evolution, the so-called Type II, which involves many particle-hole excitations across energy gaps.

  13. 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

  14. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  16. 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

  17. 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.

  18. A Stacked-Shell Finite Element Approach for Modelling a Dynamically Loaded Composite Bolted Joint Under in-Plane Bearing Loads

    NASA Astrophysics Data System (ADS)

    Pearce, G. M. K.; Johnson, A. F.; Hellier, A. K.; Thomson, R. S.

    2013-12-01

    This paper presents the results of a study into a novel application of the "stacked-shell" laminate modelling approach to dynamically loaded bolted composite joints using the explicit finite element code PAM-CRASH. The stacked-shell approach provides medium-high fidelity resolution of the key joint failure modes, but is computationally much more efficient than full 3D modelling. For this work, a countersunk bolt in a composite laminate under in-plane bearing loading was considered. The models were able to predict the onset of damage, failure modes and the ultimate load of the joint. It was determined that improved debris models are required in order to accurately capture the progressive bearing damage after the onset of joint failure.

  19. Monte Carlo simulations of a protein molecule with and without hydration energy calculated by the hydration-shell model.

    PubMed

    Wako, H

    1989-12-01

    Monte Carlo simulations of a small protein, crambin, were carried out with and without hydration energy. The methodology presented here is characterized, as compared with the other similar simulations of proteins in solution, by two points: (1) protein conformations are treated in fixed geometry so that dihedral angles are independent variables rather than cartesian coordinates of atoms; and (2) instead of treating water molecules explicitly in the calculation, hydration energy is incorporated in the conformational energy function in the form of sigma giAi, where Ai is the accessible surface area of an atomic group i in a given conformation, and gi is the free energy of hydration per unit surface area of the atomic group (i.e., hydration-shell model). Reality of this model was tested by carrying out Monte Carlo simulations for the two kinds of starting conformations, native and unfolded ones, and in the two kinds of systems, in vacuo and solution. In the simulations starting from the native conformation, the differences between the mean properties in vacuo and solution simulations are not very large, but their fluctuations around the mean conformation during the simulation are relatively smaller in solution than in vacuo. On the other hand, in the simulations starting from the unfolded conformation, the molecule fluctuates much more largely in solution than in vacuo, and the effects of taking into account the hydration energy are pronounced very much. The results suggest that the method presented in this paper is useful for the simulations of proteins in solution.

  20. 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.

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

    PubMed

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

    2013-05-01

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

  2. Importance of Orbital Optimization for Double-Hybrid Density Functionals: Application of the OO-PBE-QIDH Model for Closed- and Open-Shell Systems.

    PubMed

    Sancho-García, J C; Pérez-Jiménez, A J; Savarese, M; Brémond, E; Adamo, C

    2016-03-17

    We assess here the reliability of orbital optimization for modern double-hybrid density functionals such as the parameter-free PBE-QIDH model. We select for that purpose a set of closed- and open-shell strongly and weakly bound systems, including some standard and widely used data sets, to show that orbital optimization improves the results with respect to standard models, notably for electronically complicated systems, and through first-order properties obtained as derivatives of the energy.

  3. 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

  4. Ultrafast hydrothermal synthesis of high quality magnetic core phenol-formaldehyde shell composite microspheres using the microwave method.

    PubMed

    You, Li-Jun; Xu, Shuai; Ma, Wan-Fu; Li, Dian; Zhang, Yu-Ting; Guo, Jia; Hu, Jack J; Wang, Chang-Chun

    2012-07-17

    An ultrafast, facile, and efficient microwave hydrothermal approach was designed to fabricate magnetic Fe(3)O(4)/phenol-formaldehyde (PF) core-shell microspheres for the first time. The structure of the Fe(3)O(4)/PF core-shell microspheres could be well controlled by the in situ polycondensation of phenol and formaldehyde with magnetic Fe(3)O(4) clusters as the seeds in an aqueous solution without any surfactants. The effect of synthetic parameters, such as the feeding amounts of phenol, the dosages of formaldehyde, the reaction temperatures, and the microwave heating time, on the morphologies and sizes of the Fe(3)O(4)/PF microspheres were investigated in details. The phenol-formaldehyde shell is found to be evenly coated on Fe(3)O(4) clusters within 10 min of the irradiation. The as-prepared microspheres were highly uniform in morphology, and the method was found to allow the shell thickness to be finely controlled in the range of 10-200 nm. The properties of the composite microspheres were characterized by transmission electron microscopy (TEM), scanning electron microscopy (SEM), thermogravimetic analysis (TGA), Fourier transform infrared (FT-IR) spectra, X-ray diffraction (XRD), and vibrating sample magnetometer (VSM). The as-prepared Fe(3)O(4)/PF microspheres were monodisperse and highly dispersible in water, ethanol, N,N-dimethyformamide, and acetone, a beneficial quality for the further functionalization and applications of the Fe(3)O(4)/PF microspheres.

  5. Bispectrum speckle interferometry observations and radiative transfer modelling of the red supergiant NML Cyg. Multiple dust-shell structures evidencing previous superwind phases

    NASA Astrophysics Data System (ADS)

    Blöcker, T.; Balega, Y.; Hofmann, K.-H.; Weigelt, G.

    2001-04-01

    NML Cyg is a highly evolved OH/IR supergiant, one of the most prominent infrared objects due to its strong obscuration by dust, and supposed to be among the most luminous supergiants in the galaxy. We present the first diffraction-limited 2.13 mu m observations of NML Cyg with 73 mas resolution. The speckle interferograms were obtained with the 6 m telescope at the Special Astrophysical Observatory, and the image reconstruction is based on the bispectrum speckle-interferometry method. The visibility function declines towards the diffraction limit to ~ 0.6. Radiative transfer calculations have been carried out to model the spectral energy distribution, given by ground-based photometry and ISO spectroscopy, and our 2.13 mu m visibility function. Additionally, mid-infrared visibility functions at 11 mu m were considered. The observed dust shell properties do not appear to be in accordance with standard single-shell (uniform outflow) models but seem to require multiple components. Considering previous periods of enhanced mass-loss, various density enhancements in the dust shell were taken into account. An extensive grid of models was calculated for different locations and strenghts of such superwind regions in the dust shell. To match the observations from the optical to the sub-mm domain requires at least two superwind regions embedded in the shell. The best model includes a dust shell with a temperature of 1000 K at its inner radius of 6.2 R*, a close embedded superwind shell extending from 15.5 R* to 21.7 R* with an amplitude (factor of density enhancement) of 10, and a far-out density enhancement at 186 R* with an amplitude of 5. The angular diameters of the central star and of the inner rim of the dust shell amount to 16.2 mas and 105 mas, resp. The diameter of the embedded close superwind region extends from 263 mas to 368 mas, and the inner boundary of the distant superwind region has a diameter of 3\\farcs 15. In the near-infrared the dust condensation zone is

  6. 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

  7. 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...

  8. NIF Double Shell outer-shell experiments

    NASA Astrophysics Data System (ADS)

    Merritt, E. C.; Montgomery, D. S.; Kline, J. L.; Daughton, W. S.; Wilson, D. C.; Dodd, E. S.; Renner, D. B.; Cardenas, T.; Batha, S. H.

    2016-10-01

    At the core of the Double Shell concept is the kinetic energy transfer from the outer shell to the inner shell via collision. This collision sets both the implosion shape of the inner shell, from imprinting of the shape of the outer shell, as well as the maximum energy available to compress the DT fuel. Therefore, it is crucial to be able to control the time-dependent shape of the outer shell, such that the outer shell is nominally round at the collision time. We present the experiment results from our sub-scale ( 1 MJ) NIF outer-shell only shape tuning campaign, where we vary shape by changing a turn-on time delay between the same pulse shape on the inner and outer cone beams. This type of shape tuning is unique to this platform and only possible since the Double Shell design uses a single-shock drive (4.5 ns reverse ramp pulse). The outer-shell only targets used a 5.75 mm diameter standard near-vacuum NIF hohlraum with 0.032 mg/cc He gas fill, and a Be capsule with 0.4% uniform Cu dopant, with 242 um thick ablator. We also present results from a third outer-shell only shot used to measure shell trajectory, which is critical in determining the shell impact time. This work conducted under the auspices of the U.S. DOE by LANL under contract DE-AC52-06NA25396.

  9. Shell Model Description of the C14 Dating β Decay with Brown-Rho-Scaled NN Interactions

    NASA Astrophysics Data System (ADS)

    Holt, J. W.; Brown, G. E.; Kuo, T. T. S.; Holt, J. D.; Machleidt, R.

    2008-02-01

    We present shell model calculations for the beta decay of C14 to the N14 ground state, treating the states of the A=14 multiplet as two 0p holes in an O16 core. We employ low-momentum nucleon-nucleon (NN) interactions derived from the realistic Bonn-B potential and find that the Gamow-Teller (GT) matrix element is too large to describe the known lifetime. By using a modified version of this potential that incorporates the effects of Brown-Rho scaling medium modifications, we find that the GT matrix element vanishes for a nuclear density around 85% that of nuclear matter. We find that the splitting between the (Jπ,T)=(1+,0) and (Jπ,T)=(0+,1) states in N14 is improved using the medium-modified Bonn-B potential and that the transition strengths from excited states of C14 to the N14 ground state are compatible with recent experiments.

  10. 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.

  11. Systematical study of high-spin rotational bands in neutron-deficient Kr isotopes by the extended projected shell model

    NASA Astrophysics Data System (ADS)

    Wu, Xin-Yi; Ghorui, S. K.; Wang, Long-Jun; Kaneko, K.; Sun, Yang

    2017-01-01

    We analyze the high-spin structure of the even-even 72-80Kr isotopes using the Projected Shell Model (PSM). With the help of the Pfaffian formulas, we have vigorously extended the quasi-particle (qp) basis of the PSM code and applied in this mass region for the first time. We consider a sufficiently large multi-qp configuration space in order to describe high-spin rotational behavior. The results show that the calculation can reproduce most of the known rotational bands with positive- or negative-parity. Moreover, some side bands appearing in the near-yrast region are predicted. The main structure for each band is discussed in terms of multi-qp configurations. The variations in moment of inertia with spin are explained in terms of successive band crossings among the 2-qp, 4-qp, 6-qp, and 8-qp states. The B (E 2) transition probabilities in these bands are also calculated. To further understand the high-spin behavior of these neutron-deficient nuclei and to confirm predictions of the present work, good high-spin data, especially for B (E 2) transitions, are called for.

  12. Development of Shear Deformable Laminated Shell Element and Its Application to ANCF Tire Model

    DTIC Science & Technology

    2015-04-24

    Conference on Multibody Systems , Nonlinear Dynamics, and Control (MSNDC) MSNDC-10 Vehicle Dynamics Technical Publication DEVELOPMENT OF SHEAR...SUPPLEMENTARY NOTES ASME 2015 IDETC/CIE, 11th International Conference on Multibody Systems , Nonlinear Dynamics, and Control (MSNDC) 14. ABSTRACT See Report...United States. Approved for public release; distribution is unlimited. 1. INTRODUCTION An accurate modeling of the complex tire geometry and the

  13. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  15. Exploring QSAR, pharmacophore mapping and docking studies and virtual library generation for cycloguanil derivatives as PfDHFR-TS inhibitors.

    PubMed

    Ojha, Probir Kumar; Roy, Kunal

    2011-05-01

    Resistance of available antimalarial drugs against Plasmodium species is one of the major problems of malaria control in the developing world. In the present study, we have performed QSAR, pharmacophore mapping and molecular docking studies of cycloguanil derivatives as Plasmodium falciparum dihydrofolate reductase thymidylate synthase (PfDHFR-TS) inhibitors to explore essential features required for the antimalarial activity and important interaction patterns between the enzyme and ligands for the design of new potent PfDHFR-TS inhibitors. The QSAR studies have been carried out using topological parameters along with thermodynamic and structural descriptors. Acceptable values of internal and external validation parameters for the developed QSAR models confirm acceptability of the models. Pharmacophore mapping revealed that two hydrogen bond donor (HBD) features and a hydrophobic feature (HYD) are important parameters for PfDHFR-TS inhibitory activity. The docking studies suggest that the PfDHFR-TS inhibitors interact with Asp54, Ile14, Ile164, ser108, Ser111, Tyr170, Met55, Ala16, Thr185, Leu46, Cys15, Phe58, Ile112, Trp48, Tyr57 and Leu119 amino acid residues. The QSAR, pharmacophore and docking studies inferred that i) branching of the substituents at R1 and R2 positions should be less (small alkyl chain substituents are favored); ii) the electronegativity of the molecules should be high but within some limit; iii) the size and volume of the molecules should be high; iv) molecules should be flexible enough; v) R configuration at C6 position of the triazine ring favors the inhibitory binding affinity; vi) the substituents of the phenyl ring at 3, 4 and 5 position of the phenyl ring should be small hydrophobic groups. Based on these studies, we have designed a library of cycloguanil derivatives with good in silico predicted PfDHFR-TS inhibitory activity.

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

    PubMed Central

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

    2015-01-01

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

  17. Laminated Composite Shell Element Using Absolute Nodal Coordinate Formulation and Its Application to ANCF Tire Model

    DTIC Science & Technology

    2015-04-24

    the United States. Approved for public release; distribution is unlimited. 1. INTRODUCTION An accurate modeling of the complex tire geometry and the...coordinate system o-12 with respect to the material frame o-xy UNCLASSIFIED: Distribution Statement A. Approved for public release. #26428 7...fiber coordinate system as 1111 1122 1122 2222 1212 0 0 0 0 p C C C C C            C

  18. Plate/shell structure topology optimization of orthotropic material for buckling problem based on independent continuous topological variables

    NASA Astrophysics Data System (ADS)

    Ye, Hong-Ling; Wang, Wei-Wei; Chen, Ning; Sui, Yun-Kang

    2017-03-01

    The purpose of the present work is to study the buckling problem with plate/shell topology optimization of orthotropic material. A model of buckling topology optimization is established based on the independent, continuous, and mapping method, which considers structural mass as objective and buckling critical loads as constraints. Firstly, composite exponential function (CEF) and power function (PF) as filter functions are introduced to recognize the element mass, the element stiffness matrix, and the element geometric stiffness matrix. The filter functions of the orthotropic material stiffness are deduced. Then these filter functions are put into buckling topology optimization of a differential equation to analyze the design sensitivity. Furthermore, the buckling constraints are approximately expressed as explicit functions with respect to the design variables based on the first-order Taylor expansion. The objective function is standardized based on the second-order Taylor expansion. Therefore, the optimization model is translated into a quadratic program. Finally, the dual sequence quadratic programming (DSQP) algorithm and the global convergence method of moving asymptotes algorithm with two different filter functions (CEF and PF) are applied to solve the optimal model. Three numerical results show that DSQP&CEF has the best performance in the view of structural mass and discretion.

  19. CME Flux Rope and Shock Identifications and Locations: Comparison of White Light Data, Graduated Cylindrical Shell Model, and MHD Simulations

    NASA Technical Reports Server (NTRS)

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

    2016-01-01

    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.

  20. 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.

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

    DOE PAGES

    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

  2. Quantitative cellular uptake of double fluorescent core-shelled model submicronic particles

    NASA Astrophysics Data System (ADS)

    Leclerc, Lara; Boudard, Delphine; Pourchez, Jérémie; Forest, Valérie; Marmuse, Laurence; Louis, Cédric; Bin, Valérie; Palle, Sabine; Grosseau, Philippe; Bernache-Assollant, Didier; Cottier, Michèle

    2012-11-01

    The relationship between particles' physicochemical parameters, their uptake by cells and their degree of biological toxicity represent a crucial issue, especially for the development of new technologies such as fabrication of micro- and nanoparticles in the promising field of drug delivery systems. This work was aimed at developing a proof-of-concept for a novel model of double fluorescence submicronic particles that could be spotted inside phagolysosomes. Fluorescein isothiocyanate (FITC) particles were synthesized and then conjugated with a fluorescent pHrodo™ probe, red fluorescence of which increases in acidic conditions such as within lysosomes. After validation in acellular conditions by spectral analysis with confocal microscopy and dynamic light scattering, quantification of phagocytosis was conducted on a macrophage cell line in vitro. The biological impact of pHrodo functionalization (cytotoxicity, inflammatory response, and oxidative stress) was also investigated. Results validate the proof-of-concept of double fluorescent particles (FITC + pHrodo), allowing detection of entirely engulfed pHrodo particles (green and red labeling). Moreover incorporation of pHrodo had no major effects on cytotoxicity compared to particles without pHrodo, making them a powerful tool for micro- and nanotechnologies.

  3. Thermal convection of an internally heated infinite Prandtl number fluid in a spherical shell. [earth core-mantle-surface model

    NASA Technical Reports Server (NTRS)

    Schubert, G.; Zebib, A.

    1980-01-01

    A Galerkin technique is used to study the finite-amplitude axisymmetric steady convective motions of an infinite Prandtl number Boussinesq fluid in a spherical shell. Two types of heating are considered: in one case, convection is driven both by internal heat sources in the fluid and by an externally imposed temperature drop across the shell boundaries; in the other case, only internal heat sources drive convection and the lower boundary of the shell is adiabatic. Two distinct classes of axisymmetric steady states are found to be possible: states characterized by temperature and radial velocity fields that are symmetric about an equatorial plane; and a class of solutions that does not possess any symmetry properties about the equatorial plane.

  4. 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

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

    NASA Astrophysics Data System (ADS)

    Mahadev, Sthanu

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

  6. Multimodal SHG-2PF Imaging of Microdomain Ca2+-Contraction Coupling in Live cardiac myocytes

    PubMed Central

    Awasthi, Samir; Izu, Leighton T.; Mao, Ziliang; Jian, Zhong; Landas, Trevor; Lerner, Aaron; Shimkunas, Rafael; Woldeyesus, Rahwa; Bossuyt, Julie; Wood, Brittani; Chen, Yi-Je; Matthews, Dennis L.; Lieu, Deborah K.; Chiamvimonvat, Nipavan; Lam, Kit S.; Chen-Izu, Ye; Chan, James W.

    2015-01-01

    Rationale cardiac myocyte contraction is caused by Ca2+ binding to troponin C, which triggers the cross-bridge power stroke and myofilament sliding in sarcomeres. Synchronized Ca2+ release causes whole cell contraction and is readily observable with current microscopy techniques. However, it is unknown whether localized Ca2+ release, such as Ca2+ sparks and waves, can cause local sarcomere contraction. Contemporary imaging methods fall short of measuring microdomain Ca2+-contraction coupling in live cardiac myocytes. Objective To develop a method for imaging sarcomere-level Ca2+-contraction coupling in healthy and disease-model cardiac myocytes. Methods and Results Freshly isolated cardiac myocytes were loaded with the Ca2+-indicator Fluo-4. A confocal microscope equipped with a femtosecond-pulsed near-infrared laser was used to simultaneously excite second harmonic generation (SHG) from A-bands of myofibrils and two-photon fluorescence (2PF) from Fluo-4. Ca2+ signals and sarcomere strain correlated in space and time with short delays. Furthermore, Ca2+ sparks and waves caused contractions in subcellular microdomains, revealing a previously underappreciated role for these events in generating subcellular strain during diastole. Ca2+ activity and sarcomere strain were also imaged in paced cardiac myocytes under mechanical load, revealing spontaneous Ca2+ waves and correlated local contraction in pressure overload-induced cardiomyopathy. Conclusions Multi-modal SHG-2PF microscopy enables the simultaneous observation of Ca2+ release and mechanical strain at the sub-sarcomere level in living cardiac myocytes. The method benefits from the label-free nature of SHG, which allows A-bands to be imaged independently of T-tubule morphology and simultaneously with Ca2+ indicators. SHG-2PF imaging is widely applicable to the study of Ca2+-contraction coupling and mechano-chemo-transduction in both health and disease. PMID:26643875

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

    SciTech Connect

    Johnson, C W

    2012-01-24

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

  8. Modeling of the L-shell copper X-pinch plasma produced by the compact generator of Ecole polytechnique using pattern recognition

    NASA Astrophysics Data System (ADS)

    Larour, Jean; Aranchuk, Leonid E.; Danisman, Yusuf; Eleyan, Alaa; Yilmaz, M. Fatih

    2016-03-01

    Principal component analysis is applied and compared with the line ratios of special Ne-like transitions for investigating the electron beam effects on the L-shell Cu synthetic spectra. The database for the principal component extraction is created over a non Local Thermodynamic Equilibrium (non-LTE) collisional radiative L-shell Copper model. The extracted principal components are used as a database for Artificial Neural Network in order to estimate the plasma electron temperature, density, and beam fractions from a representative time-integrated spatially resolved L-shell Cu X-pinch plasma spectrum. The spectrum is produced by the explosion of 25-μm Cu wires on a compact LC (40 kV, 200 kA, and 200 ns) generator. The modeled plasma electron temperatures are about Te ˜ 150 eV and Ne = 5 × 1019 cm-3 in the presence of the fraction of the beams with f ˜ 0.05 and a centered energy of ˜10 keV.

  9. Quantum effects in the optical response of extended plasmonic gaps: validation of the quantum corrected model in core-shell nanomatryushkas.

    PubMed

    Zapata, Mario; Camacho Beltrán, Ángela S; Borisov, Andrei G; Aizpurua, Javier

    2015-03-23

    Electron tunneling through narrow gaps between metal nanoparticles can strongly affect the plasmonic response of the hybrid nanostructure. Although quantum mechanical in nature, this effect can be properly taken into account within a classical framework of Maxwell equations using the so-called Quantum Corrected Model (QCM). We extend previous studies on spherical cluster and cylindrical nanowire dimers where the tunneling current occurs in the extremely localized gap regions, and perform quantum mechanical time dependent density functional theory (TDDFT) calculations of the plasmonic response of cylindrical core-shell nanoparticles (nanomatryushkas). In this axially symmetric situation, the tunneling region extends over the entire gap between the metal core and the metallic shell. For core-shell separations below 0.5 nm, the standard classical calculations fail to describe the plasmonic response of the cylindrical nanomatryushka, while the QCM can reproduce the quantum results. Using the QCM we also retrieve the quantum results for the absorption cross section of the spherical nanomatryushka calculated by V. Kulkarni et al. [Nano Lett. 13, 5873 (2013)]. The comparison between the model and the full quantum calculations establishes the applicability of the QCM for a wider range of geometries that hold tunneling gaps.

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

    SciTech Connect

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

    2012-03-01

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

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

    SciTech Connect

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

    2015-01-07

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

  12. 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

  13. Blocking of fatty acid amide hydrolase activity with PF-04457845 in human brain: a positron emission tomography study with the novel radioligand [(11)C]CURB.

    PubMed

    Boileau, Isabelle; Rusjan, Pablo M; Williams, Belinda; Mansouri, Esmaeil; Mizrahi, Romina; De Luca, Vincenzo; Johnson, Douglas S; Wilson, Alan A; Houle, Sylvain; Kish, Stephen J; Tong, Junchao

    2015-11-01

    Positron emission tomography with [(11)C]CURB was recently developed to quantify fatty acid amide hydrolase (FAAH), the enzyme responsible for hydrolyzing the endocannabinoid anandamide. This study investigated the test-retest reliability of [(11)C]CURB as well as its in vivo specificity and the validity of the kinetic model by using the highly specific FAAH inhibitor, PF-04457845. Five healthy volunteers completed test-retest [(11)C]CURB scans 1 to 2 months apart and six subjects completed baseline and blocking scans on the same day after PF-04457845 (p.o.) administration (1, 4, or 20 mg; n=2 each). The composite parameter λk3 (an index of FAAH activity, λ=K1/k2) was estimated using an irreversible two-tissue compartment model with plasma input function. There were no clinically observable responses to oral PF-04457845 or [(11)C]CURB injection. Oral administration of PF-04457845 reduced [(11)C]CURB binding to a homogeneous level at all three doses, with λk3 values decreased by ⩾91%. Excellent reproducibility and good reliability (test-retest variability=9%; intraclass correlation coefficient=0.79) were observed across all regions of interest investigated. Our findings suggest that λk3/[(11)C]CURB is a reliable, highly sensitive, and selective tool to measure FAAH activity in human brain in vivo. Moreover, PF-04457845 is a highly potent FAAH inhibitor (>95% inhibition at 1 mg) in living human brain.

  14. Glass shell manufacturing in space

    NASA Technical Reports Server (NTRS)

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

    1980-01-01

    A heat transfer model was developed that mathematically describes the heating and calculates the thermal history of a gel particle in free-fall through the furnace. The model parameters that greatly affect the calculations were found to be gel particle mass, geometry, specific heat, and furnace gas. Empirical testing of the model has commenced. The code calculations and the initial empirical testing results both indicate that the gel-to-shell transformation occurs early and rapidly in the thermal history of the gel particle, and that for current work the heat transfer rate is not a limitation in shell production.

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

    PubMed Central

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

    2013-01-01

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

  16. Relativistic Continuum Shell Model

    NASA Astrophysics Data System (ADS)

    Grineviciute, Janina; Halderson, Dean

    2011-04-01

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

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

    NASA Astrophysics Data System (ADS)

    Rathmann, Nicholas M.; Ditlevsen, Peter D.

    2016-09-01

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

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

    SciTech Connect

    Civitarese, Osvaldo; Suhonen, Jouni

    2013-12-30

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

  19. Modeling of a fluid-loaded smart shell structure for active noise and vibration control using a coupled finite element-boundary element approach

    NASA Astrophysics Data System (ADS)

    Ringwelski, S.; Gabbert, U.

    2010-10-01

    A recently developed approach for the simulation and design of a fluid-loaded lightweight structure with surface-mounted piezoelectric actuators and sensors capable of actively reducing the sound radiation and the vibration is presented. The objective of this paper is to describe the theoretical background of the approach in which the FEM is applied to model the actively controlled shell structure. The FEM is also employed to model finite fluid domains around the shell structure as well as fluid domains that are partially or totally bounded by the structure. Boundary elements are used to characterize the unbounded acoustic pressure fields. The approach presented is based on the coupling of piezoelectric and acoustic finite elements with boundary elements. A coupled finite element-boundary element model is derived by introducing coupling conditions at the fluid-fluid and fluid-structure interfaces. Because of the possibility of using piezoelectric patches as actuators and sensors, feedback control algorithms can be implemented directly into the multi-coupled structural-acoustic approach to provide a closed-loop model for the design of active noise and vibration control. In order to demonstrate the applicability of the approach developed, a number of test simulations are carried out and the results are compared with experimental data. As a test case, a box-shaped shell structure with surface-mounted piezoelectric actuators and four sensors and an open rearward end is considered. A comparison between the measured values and those predicted by the coupled finite element-boundary element model shows a good agreement.

  20. 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

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

    SciTech Connect

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

    2014-12-14

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

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

    PubMed Central

    2014-01-01

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

  4. Multiple shells in IRC+10216: shell properties

    NASA Astrophysics Data System (ADS)

    Mauron, N.; Huggins, P. J.

    2000-07-01

    We report on the properties of the multiple shells in the circumstellar envelope of IRC+10216, using deep optical imaging, including data from the Hubble Space Telescope. The intensity profiles confirm the presence of thin ( ~ 0farcs5 -3'' ec), limb-brightened shells in the envelope, seen in stellar and ambient Galactic light scattered by dust. The shells are spaced at irregular intervals of ~ 5'' ec-20'' ec, corresponding to time scales of 200-800 yr, although intervals as short as ~ 1'' ec (40 yr) are seen close to the star. The location of the main shells shows a good correlation with high-resolution, molecular line maps of the inner envelope, indicating that the dust and gas are well coupled. The shell/intershell density contrast is typically ~ 3, and we find that the shells form the dominant mass component of the circumstellar envelope. The shells exhibit important evolutionary effects: the thickness increases with increasing radius, with an effective dispersion velocity of 0.7 km s-1 and there is evidence for shell interactions. Despite the presence of bipolar structure close to the star, the global shell pattern favors a roughly isotropic, episodic mass loss mechanism, with a range of time scales. Based on observations made with the Canada-France-Hawaii telescope, operated by CNRS, NRCC and UH, and on dearchived observations made with the NASA/ESA Hubble Space Telescope, operated by AURA Inc., under NASA contract NAS5-26555

  5. Adaptation from restricted geometries: the shell inclination of terrestrial gastropods.

    PubMed

    Okajima, Ryoko; Chiba, Satoshi

    2013-02-01

    The adaptations that occur for support and protection can be studied with regard to the optimal structure that balances these objectives with any imposed constraints. The shell inclination of terrestrial gastropods is an appropriate model to address this problem. In this study, we examined how gastropods improve shell angles to well-balanced ones from geometrically constrained shapes. Our geometric analysis and physical analysis showed that constantly coiled shells are constrained from adopting a well-balanced angle; the shell angle of such basic shells tends to increase as the spire index (shell height/width) increases, although the optimum angle for stability is 90° for flat shells and 0° for tall shells. Furthermore, we estimated the influences of the geometric rule and the functional demands on actual shells by measuring the shell angles of both resting and active snails. We found that terrestrial gastropods have shell angles that are suited for balance. The growth lines of the shells indicated that this adaptation depends on the deflection of the last whorl: the apertures of flat shells are deflected downward, whereas those of tall shells are deflected upward. Our observations of active snails demonstrated that the animals hold their shells at better balanced angles than inactive snails.

  6. Monte Carlo simulation of the compensation and critical behaviors of a ferrimagnetic core/shell nanoparticle Ising model

    NASA Astrophysics Data System (ADS)

    Zaim, Ahmed; Kerouad, Mohamed

    2010-09-01

    A Monte Carlo simulation has been used to study the magnetic properties and the critical behaviors of a single spherical nanoparticle, consisting of a ferromagnetic core of σ=±{1}/{2} spins surrounded by a ferromagnetic shell of S=±1, 0 or S=±{1}/{2}, ±{3}/{2} spins with antiferromagnetic interface coupling, located on a simple cubic lattice. A number of characteristic phenomena has been found. In particular, the effects of the shell coupling and the interface coupling on both the critical and compensation temperatures are investigated. We have found that, for appropriate values of the system parameters, two compensation temperatures may occur in the present system.

  7. Incipient manifestation of the shell structure of atoms within the WDA model for the exchange and kinetic energy density functionals

    NASA Astrophysics Data System (ADS)

    Glossman, M. D.; Balbás, L. C.; Alonso, J. A.

    1995-07-01

    The radial electron density obtained for all the atoms of the main groups of the Periodic Table through the solution of the Euler equation associated with the nonlocal weighted density approximation (WDA) for the exchange and kinetic energy density functionals shows an incipient shell structure which is absent in other calculations using kinetic energy functionals based on the electronic density. The WDA radial density reveals two local maxima and the position of the first maximum correlates with the position of the maximum for the 1s orbital in the Hartree-Fock approximation. The cusp condition at the nucleus is fulfilled accurately. Also we study the density-based electron localization function (DELF) as a complementary procedure for the visualization of shells.

  8. Evaluation of the malaria rapid diagnostic test SDFK90: detection of both PfHRP2 and Pf-pLDH

    PubMed Central

    2012-01-01

    Background Rapid diagnosis of Plasmodium falciparum infections is important because of the potentially fatal complications. SDFK90 is a recently marketed malaria rapid diagnostic test (RDT) targeting both histidine-rich protein 2 (PfHRP2) and P. falciparum-specific Plasmodium lactate dehydrogenase (Pf-pLDH). The present study evaluated its diagnostic accuracy. Methods SDFK90 was tested against a panel of stored whole blood samples (n= 591) obtained from international travellers suspected of malaria, including the four human Plasmodium species and Plasmodium negative samples. Microscopy was used as a reference method, corrected by PCR for species diagnosis. In addition, SDFK90 was challenged against 59 P. falciparum samples with parasite density ≥4% to assess the prozone effect (no or weak visible line on initial testing and a higher intensity upon 10-fold dilution). Results Overall sensitivity for the detection of P. falciparum was 98.5% and reached 99.3% at parasite densities >100/μl. There were significantly more PfHRP2 lines visible compared to Pf-pLDH (97.3% vs 86.9%), which was mainly absent at parasite densities <100/μl. Specificity of SDFK90 was 98.8%. No lot-to-lot variability was observed (p = 1.00) and test results were reproducible. A prozone effect was seen for the PfHRP2 line in 14/59 (23.7%) P. falciparum samples tested, but not for the Pf-pLDH line. Few minor shortcomings were observed in the kit’s packaging and information insert. Conclusions SDFK90 performed excellent for P. falciparum diagnosis. The combination of PfHRP2 and Pf-pLDH ensures a low detection threshold and counters potential problems of PfHRP2 detection such as gene deletions and the prozone effect. PMID:23107162

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

    PubMed Central

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

    2016-01-01

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

  10. Determination of PF-04928473 in human plasma using liquid chromatography with tandem mass spectrometry

    PubMed Central

    Jain, Lokesh; Gardner, Erin R.; Venitz, Jürgen; Giaccone, Giuseppe; Houk, Brett E.; Figg, William D.

    2010-01-01

    A simple, rapid and sensitive liquid chromatography/tandem mass spectrometric (LC/MS/MS) analytical method was developed for quantification of Hsp90 inhibitor PF-04928473 in human plasma, following administration of its prodrug, PF-04929113. Sample processing involved protein precipitation by addition of 0.4 mL of methanol containing internal standard (PF-04972487) to 50 μL volume of plasma sample. Chromatographic separation of PF-04928473 and PF-04972487 was achieved on a Phenomenex® Luna C18(2) (2.0×50 mm, 5 μm) column using a gradient elution method with mobile phase solvents: methanol containing 0.1% formic acid and 0.1% formic acid at a flow rate of 0.25 mL/min. Detection was performed in electrospray positive ionization mode, monitoring the ion transitions from m/z 465.1→350.1 (PF-04928473) and m/z 447.0→329.1 (PF-04972487). The retention times for PF-04928473 and PF-04972487 were 1.86 and 2.85 minutes, respectively. Calibration curves were generated in the range of 2–2000 ng/mL. The accuracy and precision ranged from 94.1–99.0% and 86.7–97.6%, respectively, which were calculated using quality control samples of three different concentrations analyzed in quintuplicate on four different days. PMID:20951100

  11. The human Smoothened inhibitor PF-04449913 induces exit from quiescence and loss of multipotent Drosophila hematopoietic progenitor cells

    PubMed Central

    Giangrande, Angela; Martinelli, Giovanni; Guadagnuolo, Viviana; Simonetti, Giorgia; Perini, Giovanni; Bernardoni, Roberto

    2016-01-01

    The efficient treatment of hematological malignancies as Acute Myeloid Leukemia, myelofibrosis and Chronic Myeloid Leukemia, requires the elimination of cancer-initiating cells and the prevention of disease relapse through targeting pathways that stimulate generation and maintenance of these cells. In mammals, inhibition of Smoothened, the key mediator of the Hedgehog signaling pathway, reduces Chronic Myeloid Leukemia progression and propagation. These findings make Smo a candidate target to inhibit maintenance of leukemia-initiating cells. In Drosophila melanogaster the same pathway maintains the hematopoietic precursor cells of the lymph gland, the hematopoietic organ that develops in the larva. Using Drosophila as an in vivo model, we investigated the mode of action of PF-04449913, a small-molecule inhibitor of the human Smo protein. Drosophila larvae fed with PF-04449913 showed traits of altered hematopoietic homeostasis. These include the development of melanotic nodules, increase of circulating hemocytes, the size increase of the lymph gland and accelerated differentiation of blood cells likely due to the exit of multi-potent precursors from quiescence. Importantly, the Smo inhibition can lead to the complete loss of hematopoietic precursors. We conclude that PF-04449913 inhibits Drosophila Smo blocking the Hh signaling pathway and causing the loss of hematopoietic precursor cells. Interestingly, this is the effect expected in patients treated with PF-04449913: number decrease of cancer initiating cells in the bone marrow to reduce the risk of leukemia relapse. Altogether our results indicate that Drosophila comprises a model system for the in vivo study of molecules that target evolutionary conserved pathways implicated in human hematological malignancies. PMID:27486815

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

    SciTech Connect

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

    1984-02-01

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

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

    NASA Technical Reports Server (NTRS)

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

    2000-01-01

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

  14. Lattice dynamics of the model percolation-type (Zn,Be)Se alloy: Inelastic neutron scattering, ab initio study, and shell-model calculations

    NASA Astrophysics Data System (ADS)

    Rao, Mala N.; Lamago, D.; Ivanov, A.; d'Astuto, M.; Postnikov, A. V.; Hussein, R. Hajj; Basak, Tista; Chaplot, S. L.; Firszt, F.; Paszkowicz, W.; Deb, S. K.; Pagès, O.

    2014-04-01

    The random Zn1-xBexSe zincblende alloy is known to exhibit a peculiar three-mode [1×(Zn-Se),2×(Be-Se)] vibration pattern near the Brillouin zone (BZ) center, of the so-called percolation type, apparent in its Raman spectra. This is due to an unusually large contrast between the physical properties (length, ionicity) of the constituting bonds. In the present work, the inelastic neutron scattering is applied to study the dispersion of modes away from the BZ center, with special attention to the q⃗ dependence of the BeSe-like transverse optic doublet. The discussion is supported by calculations of lattice dynamics done both ab initio (using the siesta code) and within the shell model. The BeSe-like doublet is found to survive nearly unchanged throughout the BZ up to the zone edge, indicating that its origin is at the ultimate bond scale. The microscopic mechanism of splitting is clarified by ab initio calculations. Namely, the local lattice relaxation needed to accommodate the contrast in physical properties of the Zn-Se and Be-Se bonds splits the stretching and bending modes of connected, i.e., percolativelike, (Be-Se) bonds.

  15. Classification Shell Game.

    ERIC Educational Resources Information Center

    Etzold, Carol

    1983-01-01

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

  16. Application of linear and non-linear methods for modeling removal efficiency of textile dyes from aqueous solutions using magnetic Fe3O4 impregnated onto walnut shell

    NASA Astrophysics Data System (ADS)

    Ashrafi, Motahare; Arab Chamjangali, Mansour; Bagherian, Ghadamali; Goudarzi, Nasser

    2017-01-01

    The performance of the Nano-magnetite Fe3O4 impregnated onto walnut shell (Fe3O4-WNS), which possessed the adsorption features of walnut shell and the magnetic property of Fe3O4, was investigated for the elimination of the methyl violet and Rhodamine 6G from contaminated aqueous solutions. The effects of different experimental variables on the removal efficiency of the cited dyes were examined. Then these variables were used as the inputs to generate linear and non-linear models such as the multiple linear regression, random forest, and artificial neural network to predict the removal efficiency of these dye species at different experimental conditions. The validation studies of these models were performed using the test set, which was not present in the modeling procedure. It was found that ANN had a higher ability to predict the adsorption process under different experimental conditions, and could be applied for the development of an automated dye wastewater removal plant. Also the maximum adsorption capacity (qmax) indicated that the qmax value for Fe3O4-WNS for removal of cationic dyes was comparable or better than that for some reported adsorbents. Also it should be cited that exhausted Fe3O4-WNS was regenerated using dishwashing liquid, and reused for removal of the cited dye species from aqueous solutions.

  17. Application of linear and non-linear methods for modeling removal efficiency of textile dyes from aqueous solutions using magnetic Fe3O4 impregnated onto walnut shell.

    PubMed

    Ashrafi, Motahare; Arab Chamjangali, Mansour; Bagherian, Ghadamali; Goudarzi, Nasser

    2017-01-15

    The performance of the Nano-magnetite Fe3O4 impregnated onto walnut shell (Fe3O4-WNS), which possessed the adsorption features of walnut shell and the magnetic property of Fe3O4, was investigated for the elimination of the methyl violet and Rhodamine 6G from contaminated aqueous solutions. The effects of different experimental variables on the removal efficiency of the cited dyes were examined. Then these variables were used as the inputs to generate linear and non-linear models such as the multiple linear regression, random forest, and artificial neural network to predict the removal efficiency of these dye species at different experimental conditions. The validation studies of these models were performed using the test set, which was not present in the modeling procedure. It was found that ANN had a higher ability to predict the adsorption process under different experimental conditions, and could be applied for the development of an automated dye wastewater removal plant. Also the maximum adsorption capacity (qmax) indicated that the qmax value for Fe3O4-WNS for removal of cationic dyes was comparable or better than that for some reported adsorbents. Also it should be cited that exhausted Fe3O4-WNS was regenerated using dishwashing liquid, and reused for removal of the cited dye species from aqueous solutions.

  18. Private Finance 2 (PF2): Re-inventing the Wheel?

    NASA Astrophysics Data System (ADS)

    Zawawi, N. A. W. A.; Abdul-Aziz, A. R.; Khamidi, M. F.; Othman, I.; Idrus, A.; Umar, A. A.

    2013-06-01

    The Procurement policy of any government is the most influential factor in determining the efficiency of infrastructure and service provision like roads, water supply and energy. The UK's HM Treasury released its new guidelines on private involvement in infrastructures provision and services towards reforming the popular Private Finance Initiatives (PFI) policy. This new approach, it now refers to as the Private Finance 2 (PF2) is meant to correct the imperfections which have bedeviled the older version-PFI. However, the 'new guidelines' contained nothing really new in the area of private financing and operation of public infrastructures, at best it is akin to 're-inventing the wheel' rather than being 'new'. While dwelling extensively on issues relating to cheaper financing sources, risks transfer, counterpart funding by government and improving public sector procurement skills, this paper argues that some countries in the developing world have long recognised these issues and taken practical steps to correct them.

  19. Sterile protection against human malaria by chemoattenuated PfSPZ vaccine.

    PubMed

    Mordmüller, Benjamin; Surat, Güzin; Lagler, Heimo; Chakravarty, Sumana; Ishizuka, Andrew S; Lalremruata, Albert; Gmeiner, Markus; Campo, Joseph J; Esen, Meral; Ruben, Adam J; Held, Jana; Calle, Carlos Lamsfus; Mengue, Juliana B; Gebru, Tamirat; Ibáñez, Javier; Sulyok, Mihály; James, Eric R; Billingsley, Peter F; Natasha, K C; Manoj, Anita; Murshedkar, Tooba; Gunasekera, Anusha; Eappen, Abraham G; Li, Tao; Stafford, Richard E; Li, Minglin; Felgner, Phil L; Seder, Robert A; Richie, Thomas L; Sim, B Kim Lee; Hoffman, Stephen L; Kremsner, Peter G

    2017-02-23

    A highly protective malaria vaccine would greatly facilitate the prevention and elimination of malaria and containment of drug-resistant parasites. A high level (more than 90%) of protection against malaria in humans has previously been achieved only by immunization with radiation-attenuated Plasmodium falciparum (Pf) sporozoites (PfSPZ) inoculated by mosquitoes; by intravenous injection of aseptic, purified, radiation-attenuated, cryopreserved PfSPZ ('PfSPZ Vaccine'); or by infectious PfSPZ inoculated by mosquitoes to volunteers taking chloroquine or mefloquine (chemoprophylaxis with sporozoites). We assessed immunization by direct venous inoculation of aseptic, purified, cryopreserved, non-irradiated PfSPZ ('PfSPZ Challenge') to malaria-naive, healthy adult volunteers taking chloroquine for antimalarial chemoprophylaxis (vaccine approach denoted as PfSPZ-CVac). Three doses of 5.12 × 10(4) PfSPZ of PfSPZ Challenge at 28-day intervals were well tolerated and safe, and prevented infection in 9 out of 9 (100%) volunteers who underwent controlled human malaria infection ten weeks after the last dose (group III). Protective efficacy was dependent on dose and regimen. Immunization with 3.2 × 10(3) (group I) or 1.28 × 10(4) (group II) PfSPZ protected 3 out of 9 (33%) or 6 out of 9 (67%) volunteers, respectively. Three doses of 5.12 × 10(4) PfSPZ at five-day intervals protected 5 out of 8 (63%) volunteers. The frequency of Pf-specific polyfunctional CD4 memory T cells was associated with protection. On a 7,455 peptide Pf proteome array, immune sera from at least 5 out of 9 group III vaccinees recognized each of 22 proteins. PfSPZ-CVac is a highly efficacious vaccine candidate; when we are able to optimize the immunization regimen (dose, interval between doses, and drug partner), this vaccine could be used for combination mass drug administration and a mass vaccination program approach to eliminate malaria from geographically defined areas.

  20. Plant-Based Production of Recombinant Plasmodium Surface Protein Pf38 and Evaluation of its Potential as a Vaccine Candidate

    PubMed Central

    Feller, Tatjana; Thom, Pascal; Koch, Natalie; Spiegel, Holger; Addai-Mensah, Otchere; Fischer, Rainer; Reimann, Andreas; Pradel, Gabriele; Fendel, Rolf; Schillberg, Stefan; Scheuermayer, Matthias; Schinkel, Helga

    2013-01-01

    Pf38 is a surface protein of the malarial parasite Plasmodium falciparum. In this study, we produced and purified recombinant Pf38 and a fusion protein composed of red fluorescent protein and Pf38 (RFP-Pf38) using a transient expression system in the plant Nicotiana benthamiana. To our knowledge, this is the first description of the production of recombinant Pf38. To verify the quality of the recombinant Pf38, plasma from semi-immune African donors was used to confirm specific binding to Pf38. ELISA measurements revealed that immune responses to Pf38 in this African subset were comparable to reactivities to AMA-1 and MSP119. Pf38 and RFP-Pf38 were successfully used to immunise mice, although titres from these mice were low (on average 1∶11.000 and 1∶39.000, respectively). In immune fluorescence assays, the purified IgG fraction from the sera of immunised mice recognised Pf38 on the surface of schizonts, gametocytes, macrogametes and zygotes, but not sporozoites. Growth inhibition assays using αPf38 antibodies demonstrated strong inhibition (≥60%) of the growth of blood-stage P. falciparum. The development of zygotes was also effectively inhibited by αPf38 antibodies, as determined by the zygote development assay. Collectively, these results suggest that Pf38 is an interesting candidate for the development of a malaria vaccine. PMID:24278216