Role of shell corrections in the phenomenon of cluster radioactivity

NASA Astrophysics Data System (ADS)

Kaur, Mandeep; Singh, Bir Bikram; Sharma, Manoj K.

2018-05-01

The detailed investigation has been carried out to explore the role of shell corrections in the decay of various radioactive parent nuclei in trans-lead region, specifically, which lead to doubly magic 208Pb daughter nucleus through emission of clusters such as 14C, 18,20O, 22,24,26Ne, 28,30 Mg and 34S i. The fragmentation potential comprises of binding energies (BE), Coulomb potential (Vc) and nuclear or proximity potential (VP) of the decaying fragments (or clusters). It is relevant to mention here that the contributions of VLDM (T=0) and δU (T=0) in the BE have been analysed within the Strutinsky renormanlization procedure. In the framework of quantum mechanical fragmentation theory (QMFT), we have investigated the above mentioned cluster decays with and without inclusion of shell corrections in the fragmentation potential for spherical as well as non-compact oriented nuclei. We find that the experimentally observed clusters 14C, 18,20O, 22,24,26 Ne, 28,30 Mg and 34Si having doubly magic 208 Pb daughter nucleus are not strongly minimized, they do so only after the inclusion of shell corrections in the fragmentation potential. The nuclear structure information carried by the shell corrections have been explored via these calculations, within the collective clusterisation process of QMFT, in the study of ground state decay of radioactive nuclei. The role of different parts of fragmentation potentials such as VLDM, δU, Vc and Vp is dually analysed for better understanding of radioactive cluster decay.

Geometrically nonlinear analysis of layered composite plates and shells

NASA Technical Reports Server (NTRS)

Chao, W. C.; Reddy, J. N.

1983-01-01

A degenerated three dimensional finite element, based on the incremental total Lagrangian formulation of a three dimensional layered anisotropic medium was developed. Its use in the geometrically nonlinear, static and dynamic, analysis of layered composite plates and shells is demonstrated. A two dimenisonal finite element based on the Sanders shell theory with the von Karman (nonlinear) strains was developed. It is shown that the deflections obtained by the 2D shell element deviate from those obtained by the more accurate 3D element for deep shells. The 3D degenerated element can be used to model general shells that are not necessarily doubly curved. The 3D degenerated element is computationally more demanding than the 2D shell theory element for a given problem. It is found that the 3D element is an efficient element for the analysis of layered composite plates and shells undergoing large displacements and transient motion.

Role of the tranverse arch in stiffness of the human foot

NASA Astrophysics Data System (ADS)

Dias, Marcelo A.; Singh, Dhiraj K.; Bandi, Mahesh M.; Venkadesan, Madhusudhan; Mandre, Shreyas

2015-03-01

Human ancestors evolved from walking, around 6 million years (Ma) ago, to regular endurance running, around 2 Ma ago. Simultaneously, the feet evolved from a relatively flat structure like that of current day Chimpanzees (or our hands), to the modern human foot with two arches, a longitudinal and a transversal arch. The feet play a crucial role in locomotion by providing sufficient stiffness for propulsion, and being soft and pliable to absorb impacts and store energy elastically. Here we show that the transverse arch could play a central role in stiffness modulation. We first treat the foot as an elastic shell that is with intrinsic curvature. Calculations, numerics and physical experiments all show that for a foot-like shell, the stiffness has a power-law dependence on transverse curvature beyond a critical value. On the other hand, for purely longitudinally curved feet, or transverse curvature below the critical value, lead to low stiffness like a flat plate. Discrete realizations of a continuum shell, more closely resembling the human foot, also exhibit curvature induced stiffening. These results shed light on the role of the quintessentially human feature of a doubly arched foot, and suggest mechanical consequences of disorders such as a collapsed arch. HFSP RGY0091/2013.

Nonlinear behavior of shells of revolution under cyclic loading.

NASA Technical Reports Server (NTRS)

Levine, H. S.; Armen, H., Jr.; Winter, R.; Pifko, A.

1973-01-01

A large deflection elastic-plastic analysis is presented applicable to orthotropic axisymmetric plates and shells of revolution subjected to monotonic and cyclic loading conditions. The analysis is based on the finite-element method. It employs a new higher order, fully compatible, doubly curved orthotropic shell-of-revolution element using cubic Hermitian expansions for both meridional and normal displacements. Both perfectly plastic and strain hardening behavior are considered. Strain hardening is incorporated through use of the Prager-Ziegler kinematic hardening theory, which predicts an ideal Bauschinger effect. Numerous sample problems involving monotonic and cyclic loading conditions are analyzed.

Gamma Strength Functions and Level Densities from 300 MeV Proton Scatttering at 0°

NASA Astrophysics Data System (ADS)

von Neumann-Cosel, Peter; Bassauer, Sergej; Martin, Dirk

The gamma strength function (GSF) as well as total level densities (LDs) in 208Pb and 96Mo were extracted from high-resolution forward angle inelastic proton scattering data taken at RCNP, Osaka, Japan, and compared to experimental results obtained with the Oslo method in order to test the validity of the Brink-Axel (BA) hypothesis in the energy region of the pygmy dipole resonance. The case of 208Pb is inconclusive because of strong fluctuations of the GSF due to the small level density in a doubly closed-shell nucleus. In 96Mo the data are consistent with the BA hypothesis. The good agreement of LDs provides an independent confirmation of the approach underlying the decomposition of GSF and LDs in Oslo-type experiments.

The oxygen isotopes

NASA Astrophysics Data System (ADS)

Alex Brown, B.

The properties of the oxygen isotopes provide diverse examples of progress made in experiments and theory. This chain of isotopes has been studied from beyond the proton drip line in 12O to beyond the neutron drip line in 25,26O. This short survey starts with the microscopic G matrix approach for 18O of Kuo and Brown in the 1960's and shows how theory has evolved. The nuclear structure around the doubly-magic nucleus 24O is particularly simple in terms of the nuclear shell model. The nuclear structure around the doubly-magic nucleus 16O exhibits the coexistence of single-particle and collective structure.

Experimental and Theoretical Investigations of Doubly-excited Sextet States in

NASA Astrophysics Data System (ADS)

Lin, Bin; Berry, H. Gordon; Livingston, A. Eugene; Garnir, Henri-Pierre; Bastin, Thierry; Désesquelles, J.

2002-05-01

The energies and wave functions of the highly doubly-excited sextet states of boron-like O IV, F V and Ne VI are calculated with the Multi-Configuration Hartree-Fock (MCHF) plus the hydrogen-like QED effects and higher-order corrections method. The highly doubly-excited sextet states of boron-like O IV, F V and Ne VI are well above several ionization levels and metastable, and possible candidates for XUV- and soft x-ray laser and energy storage. Three doubly-excited sextet configurations (1s2s2p3 6So, 1s2s2p23s 6P and 1s2p33s 6So) are studied. The wavelengths of electric dipole transitions from the inner-shell excited terms 1s2s2p23s 6P-1s2p33s 6So are investigated by the beam-foil spectroscopy in the XUV spectral region. The predicted transition wavelengths agree with the experiment to 0.08Å. The higher-order corrections and fine structures are found to be critically important in these comparisons.

Nonlinear behavior of shells of revolution under cyclic loading

NASA Technical Reports Server (NTRS)

Levine, H. S.; Armen, H., Jr.; Winter, R.; Pifko, A.

1972-01-01

A large deflection elastic-plastic analysis is presented, applicable to orthotropic axisymmetric plates and shells of revolution subjected to monotonic and cyclic loading conditions. The analysis is based on the finite-element method. It employs a new higher order, fully compatible, doubly curved orthotropic shell-of-revolution element using cubic Hermitian expansions for both meridional and normal displacements. Both perfectly plastic and strain hardening behavior are considered. Strain hardening is incorporated through use of the Prager-Ziegler kinematic hardening theory, which predicts an ideal Bauschinger effect. Numerous sample problems involving monotonic and cyclic loading conditions are analyzed. The monotonic results are compared with other theoretical solutions.

The oxygen isotopes

NASA Astrophysics Data System (ADS)

Brown, B. Alex

The properties of the oxygen isotopes provide diverse examples of progress made in experiments and theory. This chain of isotopes has been studied from beyond the proton drip line in 12O to beyond the neutron drip line in 25,26O. This short survey starts with the microscopic G matrix approach for 18O of Kuo and Brown in the 1960’s and shows how theory has evolved. The nuclear structure around the doubly-magic nucleus 24O is particularly simple in terms of the nuclear shell model. The nuclear structure around the doubly-magic nucleus 16O exhibits the coexistence of single-particle and collective structure.

One-Neutron Removal Measurement Reveals {sup 24}O as a New Doubly Magic Nucleus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kanungo, R.; Perro, C.; Nociforo, C.

The first measurement of the momentum distribution for one-neutron removal from {sup 24}O at 920A MeV performed at GSI, Darmstadt is reported. The observed distribution has a width (FWHM) of 99{+-}4 MeV/c in the projectile rest frame and a one-neutron removal cross section of 63{+-}7 mb. The results are well explained with a nearly pure 2s{sub 1/2} neutron spectroscopic factor of 1.74{+-}0.19 within the eikonal model. This large s-wave probability shows a spherical shell closure thereby confirming earlier suggestions that {sup 24}O is a new doubly magic nucleus.

Redox-Active Bis(phenolate) N-Heterocyclic Carbene [OCO] Pincer Ligands Support Cobalt Electron Transfer Series Spanning Four Oxidation States.

PubMed

Harris, Caleb F; Bayless, Michael B; van Leest, Nicolaas P; Bruch, Quinton J; Livesay, Brooke N; Bacsa, John; Hardcastle, Kenneth I; Shores, Matthew P; de Bruin, Bas; Soper, Jake D

2017-10-16

A new family of low-coordinate Co complexes supported by three redox-noninnocent tridentate [OCO] pincer-type bis(phenolate) N-heterocyclic carbene (NHC) ligands are described. Combined experimental and computational data suggest that the charge-neutral four-coordinate complexes are best formulated as Co(II) centers bound to closed-shell [OCO] 2- dianions, of the general formula [(OCO)Co II L] (where L is a solvent-derived MeCN or THF). Cyclic voltammograms of the [(OCO)Co II L] complexes reveal three oxidations accessible at potentials below 1.2 V vs Fc + /Fc, corresponding to generation of formally Co(V) species, but the true physical/spectroscopic oxidation states are much lower. Chemical oxidations afford the mono- and dications of the imidazoline NHC-derived complex, which were examined by computational and magnetic and spectroscopic methods, including single-crystal X-ray diffraction. The metal and ligand oxidation states of the monocationic complex are ambiguous; data are consistent with formulation as either [( S OCO)Co III (THF) 2 ] + containing a closed-shell [ S OCO] 2- diphenolate ligand bound to a S = 1 Co(III) center, or [( S OCO • )Co II (THF) 2 ] + with a low-spin Co(II) ion ferromagnetically coupled to monoanionic [ S OCO • ] - containing a single unpaired electron distributed across the [OCO] framework. The dication is best described as [( S OCO 0 )Co II (THF) 3 ] 2+ , with a single unpaired electron localized on the d 7 Co(II) center and a doubly oxidized, charge-neutral, closed-shell S OCO 0 ligand. The combined data provide for the first time unequivocal and structural evidence for [OCO] ligand redox activity. Notably, varying the degree of unsaturation in the NHC backbone shifts the ligand-based oxidation potentials by up to 400 mV. The possible chemical origins of this unexpected shift, along with the potential utility of the [OCO] pincer ligands for base-metal-mediated organometallic coupling catalysis, are discussed.

PREFACE: New nuclear structure phenomena in the vicinity of closed shells

NASA Astrophysics Data System (ADS)

Johnson, A.; Wyss, R.

1995-01-01

The proceedings of the international symposium on "New Nuclear Structure Phenomena in the Vicinity of Closed Shells - SELMA 94", held in Stockholm, Uppsala and on the Baltic Sea from Aug. 30 - Sep. 3 are collected in this volume. Since almost 40% of the session time was kept open for discussions, it is difficult to give full justice to the character of the meeting in a written report. However, since also many posters are presented in this volume, we hope that some of the flavour of this lively symposium will pass onto the reader. We have chosen to group related contributions in order to facilitate the reading. Several articles, though, may fit into several categories. With the event of large detector arrays there has been a tremendous development in the field of nuclear spectroscopy. The discovery of super-deformation has been followed by detailed spectroscopy in the second well. Hence, the concept of shell closure is reinterpreted in general terms, involving shapes different from spherical. Close to the drip lines, we expect new shells and new structure effects to emerge. Loosely bound neutrons may form a new state of nuclear matter. The regions of the nuclear chart far from the line of stability can be explored in the future by means of radioactive ion beams. New structure effects, that one might encounter far from the line of stability was one of the themes of this conference. The strong impact of the nuclear shell model is also evident in other branches of physics, like the structure of metal-clusters. Special attention was paid to the Sn-isotopes. In the Sn-isotopic chain, spectroscopic measurements are extending beyond the doubly-magic nucleus 132Sn. Large efforts have recently been made to study nuclei in the vicinity of the doubly-magic nucleus 100Sn, the other extreme end of the chain. Spectroscopic data on 100Sn would open the entire shell for nuclear structure studies, ranging over a number of 32 neutrons. During the organization of this meeting, the first 100Sn nuclei were observed at GSI, Germany, and in a subsequent experiment at GANIL, France. Results from these experiments were reported during the symposium as were much of the recent data around "classical" shell model nuclei. Neutron deficient nuclei in the Sn region show a variety of phenomena, such as coexisting shapes, enhanced quadrupole transitions etc. The role of intruder states in this mass region as well as the excitation pattern is still a puzzle for experimentalists and theoreticians and was discussed during the meeting. More work is needed until a unified picture of the structure of these nuclei will emerge. The combination of powerful mean-field models, large scale shell model calculations as well as new algebraic approaches to nuclear structure shows the strong and lively development in the field of nuclear theory as was evident from the presentations. It is obvious that great effort is needed to match the rapid development in the field of experimental nuclear structure. The organizing committee expresses special thanks to the Royal Swedish Academy of Sciences, through its Nobel Institute for Physics, for its generous support. We also want to thank the Royal Institute of Technology and Uppsala University for supporting this symposium. All this support was extremely essential for organizing the meeting as well as for rendering it success. We are very pleased about the possibility to print the proceedings of this meeting in Physics Scripta and thank their staff for helpful collaboration. Thanks also to the international advisory committee for its helpful work to select speakers and for suggestions. Conference secretary Inger Ericson's assistance during the meeting as well as the work of the organizing committee is highly appreciated. Finally, we like to thank all speakers and participants for making this symposium extremely lively and exciting. Last but not least: this symposium got its name from little Selma, born 19 January 1994, daughter of A Atac and J Nyberg.

Shell Model Far From Stability: Island of Inversion Mergers

NASA Astrophysics Data System (ADS)

Nowacki, F.; Poves, A.

2018-02-01

In this study we propose a common mechanism for the disappearance of shell closures far from stabilty. With the use of Large Scale Shell Model calculations (SM-CI), we predict that the region of deformation which comprises the heaviest Chromium and Iron isotopes at and beyond N=40 will merge with a new one at N=50 in an astonishing parallel to the N=20 and N=28 case in the Neon and Magnesium isotopes. We propose a valence space including the full pf-shell for the protons and the full sdg shell for the neutrons, which represents a come-back of the the harmonic oscillator shells in the very neutron rich regime. Our calculations preserve the doubly magic nature of the ground state of 78Ni, which, however, exhibits a well deformed prolate band at low excitation energy, providing a striking example of shape coexistence far from stability. This new Island of Inversion (IoI) adds to the four well documented ones at N=8, 20, 28 and 40.

A numerical comparison with an exact solution for the transient response of a cylinder immersed in a fluid. [computer simulated underwater tests to determine transient response of a submerged cylindrical shell

NASA Technical Reports Server (NTRS)

Giltrud, M. E.; Lucas, D. S.

1979-01-01

The transient response of an elastic cylindrical shell immersed in an acoustic media that is engulfed by a plane wave is determined numerically. The method applies to the USA-STAGS code which utilizes the finite element method for the structural analysis and the doubly asymptotic approximation for the fluid-structure interaction. The calculations are compared to an exact analysis for two separate loading cases: a plane step wave and an exponentially decaying plane wave.

Post-Crazing Stress Analysis of Glass-Epoxy Laminates.

DTIC Science & Technology

1979-05-01

element Stress concentrations Thick-shell element b. Identiflers/Open-Ended Terms Thick-plate element Glass-epoxy Laminates Composite materials Failure...number) / Glass-Epoxy Angle Plys Finite Elements’ Laminates Shear Testing Isoparametric.,lement Composite Materials Compression Testing Doubly-Curved...with light weight. This favorable strength- weight ratio makes the material attractive for some flight structures as well as other machines and

K-mixing in the doubly mid-shell nuclide 170Dy and the role of vibrational degeneracy

NASA Astrophysics Data System (ADS)

Söderström, P.-A.; Walker, P. M.; Wu, J.; Liu, H. L.; Regan, P. H.; Watanabe, H.; Doornenbal, P.; Korkulu, Z.; Lee, P.; Liu, J. J.; Lorusso, G.; Nishimura, S.; Phong, V. H.; Sumikama, T.; Xu, F. R.; Yagi, A.; Zhang, G. X.; Ahn, D. S.; Alharbi, T.; Baba, H.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chae, K. Y.; Dombradi, Zs.; Estrade, A.; Fukuda, N.; Griffin, C. J.; Ideguchi, E.; Inabe, N.; Isobe, T.; Kanaoka, H.; Kanaya, S.; Kojouharov, I.; Kondev, F. G.; Kubo, T.; Kubono, S.; Kurz, N.; Kuti, I.; Lalkovski, S.; Lane, G. J.; Lee, E. J.; Lee, C. S.; Lotay, G.; Moon, C.-B.; Nishizuka, I.; Niţă, C. R.; Odahara, A.; Patel, Z.; Podolyák, Zs.; Roberts, O. J.; Sakurai, H.; Schaffner, H.; Shand, C. M.; Suzuki, H.; Takeda, H.; Terashima, S.; Vajta, Zs.; Valiente-Dòbon, J. J.; Xu, Z. Y.

2016-11-01

A detailed study of the structure of the doubly mid-shell nucleus 104 1 66 170 Dy has been carried out, following isomeric and β decay. We have measured the yrast band up to the spin-parity Jπ =6+ state, the K = 2γ-vibration band up to the 5+ state, a low-lying negative-parity band based on a 2- state that could be a candidate for the lowest energy octupole vibration state within this nucleus, and a candidate for the Kπ =6+ two quasi-particle isomer. This state was determined to have an excitation energy of 1643.91(23) keV and a half life of 0.99(4) μs, with a reduced hindrance for its decay to the ground-state band an order of magnitude lower than predicted by NpNn systematics. This is interpreted as being due to γ-vibrational mixing from a near degeneracy of the isomer and the 6+ state of the γ band. Furthermore, the parent nucleus 170Tb has been determined to have a half-life of 0.91 (+18-13) s with a possible spin-parity of 2-.

Splitting Times of Doubly Quantized Vortices in Dilute Bose-Einstein Condensates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huhtamaeki, J. A. M.; Pietilae, V.; Virtanen, S. M. M.

2006-09-15

Recently, the splitting of a topologically created doubly quantized vortex into two singly quantized vortices was experimentally investigated in dilute atomic cigar-shaped Bose-Einstein condensates [Y. Shin et al., Phys. Rev. Lett. 93, 160406 (2004)]. In particular, the dependency of the splitting time on the peak particle density was studied. We present results of theoretical simulations which closely mimic the experimental setup. We show that the combination of gravitational sag and time dependency of the trapping potential alone suffices to split the doubly quantized vortex in time scales which are in good agreement with the experiments.

An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applications.

PubMed

Datta, Dipayan; Mukherjee, Debashis

2009-07-28

In this paper, we present a comprehensive account of an explicitly spin-free compact state-universal multireference coupled cluster (CC) formalism for computing the state energies of simple open-shell systems, e.g., doublets and biradicals, where the target open-shell states can be described by a few configuration state functions spanning a model space. The cluster operators in this formalism are defined in terms of the spin-free unitary generators with respect to the common closed-shell component of all model functions (core) as vacuum. The spin-free cluster operators are either closed-shell-like n hole-n particle excitations (denoted by T(mu)) or involve excitations from the doubly occupied (nonvalence) orbitals to the singly occupied (valence) orbitals (denoted by S(e)(mu)). In addition, there are cluster operators with exchange spectator scatterings involving the valence orbitals (denoted by S(re)(mu)). We propose a new multireference cluster expansion ansatz for the wave operator with the above generally noncommuting cluster operators which essentially has the same physical content as the Jeziorski-Monkhorst ansatz with the commuting cluster operators defined in the spin-orbital basis. The T(mu) operators in our ansatz are taken to commute with all other operators, while the S(e)(mu) and S(re)(mu) operators are allowed to contract among themselves through the spectator valence orbitals. An important innovation of this ansatz is the choice of an appropriate automorphic factor accompanying each contracted composite of cluster operators in order to ensure that each distinct excitation generated by this composite appears only once in the wave operator. The resulting CC equations consist of two types of terms: a "direct" term and a "normalization" term containing the effective Hamiltonian operator. It is emphasized that the direct term is almost quartic in the cluster amplitudes, barring only a handful of terms and termination of the normalization term depends on the valence rank of the effective Hamiltonian operator and the excitation rank of the cluster operators at which the theory is truncated. Illustrative applications are presented by computing the state energies of neutral doublet radicals and doublet molecular cations and ionization energies of neutral molecules and comparing our results with the other open-shell CC theories, benchmark full CI results (when available) in the same basis, and the experimental results. Highly encouraging results show the efficacy of the method.

Identifying the T=5 states in 48Ca

NASA Astrophysics Data System (ADS)

Upadhyayula, Sriteja; Ahn, Sunghoon; Anastasiou, Maria; Bedoor, Shadi; Browne, Justin; Blackmon, Jeffrey; Deibel, Catherine; Hood, Ashley; Hooker, Joshua; Hunt, Curtis; Koshchiy, Yevgen; Lighthall, Jon; Ong, Wei Jia; Rijal, Nabin; Rogachev, Grigory; Santiago-Gonzalez, Daniel; Nscl, Michigan State University, Ingo

2017-09-01

Particle-hole excitations near closed shells carry information on single-particle energies and on two-body interactions. The particle-hole excitations near the doubly magic nuclei are of special interest. Information on the charge-changing particle-hole excitations (T=5 negative parity states) in 48Ca is not available. We performed an experiment to establish the level scheme of the low-lying negative parity T=5 states in 48Ca. Excitation functions for the 1H(47K,p)47K(g.s.) and 1H(47K,p)47K(3/2+) reactions in the c.m. energy range from 1 MeV to 4.5 MeV were measured. The T=5 states are expected to show up in the p+47K excitation function as narrow resonances. This experiment was performed at NSCL using the ReA3 beam of 47K at energy of 4.6 MeV/u. ANASEN, set in active target mode, was used for this experiment. Experimental results from this experiment will be presented.

Gamma-ray spectroscopy of 131Sn81 via the (9Be, 8Be γ) reaction

NASA Astrophysics Data System (ADS)

Burcher, Sean; Bey, A.; Jones, K.; Ahn, S. H.; Ayres, A.; Schmitt, K. T.; Allmond, J.; Galindo-Urribari, A.; Radford, D. C.; Liang, J. F.; Neseraja, C. D.; Pain, S. D.; Pittman, S. T.; Smith, M. S.; Stracener, D. W.; Varner, R. L.; Bardayan, D. W.; O'Malley, P. D.; Cizewski, J. A.; Howard, M. E.; Manning, B. M.; Garcia Ruiz, R. F.; Kozub, R. L.; Matos, M.; Padilla-Rodal, E.

2016-09-01

Nuclear data in the region of the doubly-magic nucleus 132Sn82 is useful for benchmarking nuclear structure theories due to the clean single-particle nature of the nuclear wavefunction near the closed shells. At the Holifield Radioactive Ion Beam Facility (HRIBF) neutron-rich beams in the 132Sn82 region were produced via proton-induced fission of a Uranium-Carbide target. The CLARION array of HPGe detectors was coupled with the HyBall array of CsI detectors to allow for particle-gamma coincidence measurements. The gamma-ray de-excitation of the four lowest lying single-neutron states has been observed for the first time via the (9Be,8Be γ) reaction. The excitation energy of these states have been measured to higher precision than was possible with the previous charged particle measurement. This work was supported in part by the U.S. Department of Energy and the National Science Foundation.

RF Performance of Membrane Aperture Shells

NASA Technical Reports Server (NTRS)

Flint, Eirc M.; Lindler, Jason E.; Thomas, David L.; Romanofsky, Robert

2007-01-01

This paper provides an overview of recent results establishing the suitability of Membrane Aperture Shell Technology (MAST) for Radio Frequency (RF) applications. These single surface shells are capable of maintaining their figure with no preload or pressurization and minimal boundary support, yet can be compactly roll stowed and passively self deploy. As such, they are a promising technology for enabling a future generation of RF apertures. In this paper, we review recent experimental and numerical results quantifying suitable RF performance. It is shown that candidate materials possess metallic coatings with sufficiently low surface roughness and that these materials can be efficiently fabricated into RF relevant doubly curved shapes. A numerical justification for using a reflectivity metric, as opposed to the more standard RF designer metric of skin depth, is presented and the resulting ability to use relatively thin coating thickness is experimentally validated with material sample tests. The validity of these independent film sample measurements are then confirmed through experimental results measuring RF performance for reasonable sized doubly curved apertures. Currently available best results are 22 dBi gain at 3 GHz (S-Band) for a 0.5m aperture tested in prime focus mode, 28dBi gain for the same antenna in the C-Band (4 to 6 GHz), and 36.8dBi for a smaller 0.25m antenna tested at 32 GHz in the Ka-Band. RF range test results for a segmented aperture (one possible scaling approach) are shown as well. Measured antenna system actual efficiencies (relative to the unachievable) ideal for these on axis tests are generally quite good, typically ranging from 50 to 90%.

K-mixing in the doubly mid-shell nuclide 170Dy and the role of vibrational degeneracy

DOE PAGES

Soderstrom, P. -A.; Walker, P. M.; Wu, J.; ...

2016-10-04

Here, a detailed study of the structure of the doubly mid-shell nucleus 170 66Dy 104 has been carried out, following isomeric and β decay. We have measured the yrast band up to the spin-parity J π = 6 + state, the K = 2 γ -vibration band up to the 5 + state, a low-lying negative-parity band based on a 2¯ state that could be a candidate for the lowest energy octupole vibration state within this nucleus, and a candidate for the K π = 6+ two quasi-particle isomer. This state was determined to have an excitation energy of 1643.91(23)more » keV and a half life of 0.99(4) μs, with a reduced hindrance for its decay to the groundstate band an order of magnitude lower than predicted by N pN n systematics. This is interpreted as being due to γ -vibrational mixing from a near degeneracy of the isomer and the 6 + state of the γ band. Furthermore, the parent nucleus 170Tb has been determined to have a half-life of 0.91( +18 –13) s with a possible spin-parity of 2¯.« less

Are there near-threshold Coulomb-like Baryonia?

NASA Astrophysics Data System (ADS)

Geng, Li-Sheng; Lu, Jun-Xu; Valderrama, M. Pavon; Ren, Xiu-Lei

2018-05-01

The Λc(2590 )Σc system can exchange a pion near the mass-shell. Owing to the opposite intrinsic parity of the Λc(2590 ) and Σc, the pion is exchanged in S-wave. This gives rise to a Coulomb-like force that might be able to bind the system. If one takes into account that the pion is not exactly on the mass shell, there is a shallow S-wave state, which we generically call the Yc c(5045 ) and Yc c ¯(5045 ) for the Λc(2590 )Σc and Λc(2590 )Σ¯c systems respectively. For the baryon-antibaryon case this Coulomb-like force is independent of spin: the Yc c ¯(5045 ) baryonia will appear either in the spin S =0 or S =1 configurations with G-parities G =(-1 )L+S +1. For the baryon-baryon case the Coulomb-like force is attractive in the spin S =0 configuration, for which a doubly charmed molecule is expected to form near the threshold. This type of spectrum might be very well realized in other molecular states composed of two opposite parity hadrons with the same spin and a mass difference close to that of a pseudo-Goldstone boson, of which a few examples include the Λ (1405 )N , Λ (1520 )Σ*, Ξ (1690 )Σ , Ds0 *(2317 )D and Ds1 *(2460 )D* molecules.

Theory and practice of uncommon molecular electronic configurations.

PubMed

Gryn'ova, Ganna; Coote, Michelle L; Corminboeuf, Clemence

2015-01-01

The electronic configuration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule's set of orbitals. Organic molecules that have open-shell ground states and interesting physicochemical properties, particularly those influencing their spin alignment, are of immense interest within the up-and-coming field of molecular electronics. In this advanced review, we scrutinize various qualitative rules of orbital occupation and spin alignment, viz., the aufbau principle, Hund's multiplicity rule, and dynamic spin polarization concept, through the prism of quantum mechanics. While such rules hold in selected simple cases, in general the spin state of a system depends on a combination of electronic factors that include Coulomb and Pauli repulsion, nuclear attraction, kinetic energy, orbital relaxation, and static correlation. A number of fascinating chemical systems with spin states that fluctuate between triplet and open-shell singlet, and are responsive to irradiation, pH, and other external stimuli, are highlighted. In addition, we outline a range of organic molecules with intriguing non-aufbau orbital configurations. In such quasi-closed-shell systems, the singly occupied molecular orbital (SOMO) is energetically lower than one or more doubly occupied orbitals. As a result, the SOMO is not affected by electron attachment to or removal from the molecule, and the products of such redox processes are polyradicals. These peculiar species possess attractive conductive and magnetic properties, and a number of them that have already been developed into molecular electronics applications are highlighted in this review. WIREs Comput Mol Sci 2015, 5:440-459. doi: 10.1002/wcms.1233 For further resources related to this article, please visit the WIREs website.

Discrimination Between Closed and Open Shell (Turkish) Pistachio Nuts Using Undecimated Wavelet Packet Transform

USDA-ARS?s Scientific Manuscript database

Due to low consumer acceptance and the possibility of immature kernels, closed-shell pistachio nuts should be separated from open-shell nuts before reaching the consumer. The feasibility of a system using impact acoustics as a means of classifying closed-shell nuts from open-shell nuts has already b...

Investigating nuclear shell structure in the vicinity of 78Ni: Low-lying excited states in the neutron-rich isotopes Zn,8280

NASA Astrophysics Data System (ADS)

Shiga, Y.; Yoneda, K.; Steppenbeck, D.; Aoi, N.; Doornenbal, P.; Lee, J.; Liu, H.; Matsushita, M.; Takeuchi, S.; Wang, H.; Baba, H.; Bednarczyk, P.; Dombradi, Zs.; Fulop, Zs.; Go, S.; Hashimoto, T.; Honma, M.; Ideguchi, E.; Ieki, K.; Kobayashi, K.; Kondo, Y.; Minakata, R.; Motobayashi, T.; Nishimura, D.; Otsuka, T.; Otsu, H.; Sakurai, H.; Shimizu, N.; Sohler, D.; Sun, Y.; Tamii, A.; Tanaka, R.; Tian, Z.; Tsunoda, Y.; Vajta, Zs.; Yamamoto, T.; Yang, X.; Yang, Z.; Ye, Y.; Yokoyama, R.; Zenihiro, J.

2016-02-01

The low-lying level structures of nuclei in the vicinity of 78Ni were investigated using in-beam γ -ray spectroscopy to clarify the nature of the nuclear magic numbers Z =28 and N =50 in systems close to the neutron drip line. Nucleon knockout reactions were employed to populate excited states in 80Zn and 82Zn. A candidate for the 41+ level in 80Zn was identified at 1979(30) keV, and the lifetime of this state was estimated to be 136-67+92 ps from a line-shape analysis. Moreover, the energy of the 21+ state in 82Zn is reported to lie at 621(11) keV. The large drop in the 21+ energy at 82Zn indicates the presence of a significant peak in the E (21+) systematics at N =50 . Furthermore, the E (41+) /E (21+) and B (E 2 ;41+→21+) /B (E 2 ;21+→0g.s . +) ratios in 80Zn were deduced to be 1.32 (3 ) and 1 .12-60+80 , respectively. These results imply that 80Zn can be described in terms of two-proton configurations with a 78Ni core and are consistent with a robust N =50 magic number along the Zn isotopic chain. These observations, therefore, indicate a persistent N =50 shell closure in nuclei far from the line of β stability, which in turn suggests a doubly magic structure for 78Ni.

Fractionation and structural characterization of polyphenolic antioxidants from seed shells of Japanese horse chestnut (Aesculus turbinata BLUME).

PubMed

Ogawa, Satoshi; Kimura, Hideto; Niimi, Ai; Katsube, Takuya; Jisaka, Mitsuo; Yokota, Kazushige

2008-12-24

Seed shells of the Japanese horse chestnut (Aesculus turbinata BLUME) contain high levels of polyphenolic antioxidants. These compounds were extracted, fractionated, and finally separated into three fractions, F1, F2, and F3, according to their degrees of polymerization. The structures of the isolated fractions were characterized by a combination of mass spectrometric analyses. F1 contained mainly low molecular weight phenolic substances, including procyanidin trimers. The predominant fractions F2 and F3 consisted of polymeric proanthocyanidins having a series of heteropolyflavan-3-ols, (+)-catechin/(-)-epicatechin units, and polymerization degrees of 19 and 23, respectively. The polyphenol polymers had doubly linked A-type interflavan linkages in addition to single B-type bonds without gallic acid esterified to them. The isolated polyphenolic compounds exhibited potent antioxidative activities comparable to monomeric (+)-catechin and (-)-epicatechin, or more efficacious than those monomers. The results suggest the potential usefulness of polyphenol polymers from seed shells as a source for nutraceutical factors.

Coulomb Excitation of Neutron-Rich Zn Isotopes: First Observation of the 21+ State in Zn80

NASA Astrophysics Data System (ADS)

van de Walle, J.; Aksouh, F.; Ames, F.; Behrens, T.; Bildstein, V.; Blazhev, A.; Cederkäll, J.; Clément, E.; Cocolios, T. E.; Davinson, T.; Delahaye, P.; Eberth, J.; Ekström, A.; Fedorov, D. V.; Fedosseev, V. N.; Fraile, L. M.; Franchoo, S.; Gernhauser, R.; Georgiev, G.; Habs, D.; Heyde, K.; Huber, G.; Huyse, M.; Ibrahim, F.; Ivanov, O.; Iwanicki, J.; Jolie, J.; Kester, O.; Köster, U.; Kröll, T.; Krücken, R.; Lauer, M.; Lisetskiy, A. F.; Lutter, R.; Marsh, B. A.; Mayet, P.; Niedermaier, O.; Nilsson, T.; Pantea, M.; Perru, O.; Raabe, R.; Reiter, P.; Sawicka, M.; Scheit, H.; Schrieder, G.; Schwalm, D.; Seliverstov, M. D.; Sieber, T.; Sletten, G.; Smirnova, N.; Stanoiu, M.; Stefanescu, I.; Thomas, J.-C.; Valiente-Dobón, J. J.; van Duppen, P.; Verney, D.; Voulot, D.; Warr, N.; Weisshaar, D.; Wenander, F.; Wolf, B. H.; Zielińska, M.

2007-10-01

Neutron-rich, radioactive Zn isotopes were investigated at the Radioactive Ion Beam facility REX-ISOLDE (CERN) using low-energy Coulomb excitation. The energy of the 21+ state in Zn78 could be firmly established and for the first time the 2+→01+ transition in Zn80 was observed at 1492(1) keV. B(E2,21+→01+) values were extracted for Zn74,76,78,80 and compared to large scale shell model calculations. With only two protons outside the Z=28 proton core, Zn80 is the lightest N=50 isotone for which spectroscopic information has been obtained to date. Two sets of advanced shell model calculations reproduce the observed B(E2) systematics. The results for N=50 isotones indicate a good N=50 shell closure and a strong Z=28 proton core polarization. The new results serve as benchmarks to establish theoretical models, predicting the nuclear properties of the doubly magic nucleus Ni78.

Biocompatible magnetic core-shell nanocomposites for engineered magnetic tissues

NASA Astrophysics Data System (ADS)

Rodriguez-Arco, Laura; Rodriguez, Ismael A.; Carriel, Victor; Bonhome-Espinosa, Ana B.; Campos, Fernando; Kuzhir, Pavel; Duran, Juan D. G.; Lopez-Lopez, Modesto T.

2016-04-01

The inclusion of magnetic nanoparticles into biopolymer matrixes enables the preparation of magnetic field-responsive engineered tissues. Here we describe a synthetic route to prepare biocompatible core-shell nanostructures consisting of a polymeric core and a magnetic shell, which are used for this purpose. We show that using a core-shell architecture is doubly advantageous. First, gravitational settling for core-shell nanocomposites is slower because of the reduction of the composite average density connected to the light polymer core. Second, the magnetic response of core-shell nanocomposites can be tuned by changing the thickness of the magnetic layer. The incorporation of the composites into biopolymer hydrogels containing cells results in magnetic field-responsive engineered tissues whose mechanical properties can be controlled by external magnetic forces. Indeed, we obtain a significant increase of the viscoelastic moduli of the engineered tissues when exposed to an external magnetic field. Because the composites are functionalized with polyethylene glycol, the prepared bio-artificial tissue-like constructs also display excellent ex vivo cell viability and proliferation. When implanted in vivo, the engineered tissues show good biocompatibility and outstanding interaction with the host tissue. Actually, they only cause a localized transitory inflammatory reaction at the implantation site, without any effect on other organs. Altogether, our results suggest that the inclusion of magnetic core-shell nanocomposites into biomaterials would enable tissue engineering of artificial substitutes whose mechanical properties could be tuned to match those of the potential target tissue. In a wider perspective, the good biocompatibility and magnetic behavior of the composites could be beneficial for many other applications.The inclusion of magnetic nanoparticles into biopolymer matrixes enables the preparation of magnetic field-responsive engineered tissues. Here we describe a synthetic route to prepare biocompatible core-shell nanostructures consisting of a polymeric core and a magnetic shell, which are used for this purpose. We show that using a core-shell architecture is doubly advantageous. First, gravitational settling for core-shell nanocomposites is slower because of the reduction of the composite average density connected to the light polymer core. Second, the magnetic response of core-shell nanocomposites can be tuned by changing the thickness of the magnetic layer. The incorporation of the composites into biopolymer hydrogels containing cells results in magnetic field-responsive engineered tissues whose mechanical properties can be controlled by external magnetic forces. Indeed, we obtain a significant increase of the viscoelastic moduli of the engineered tissues when exposed to an external magnetic field. Because the composites are functionalized with polyethylene glycol, the prepared bio-artificial tissue-like constructs also display excellent ex vivo cell viability and proliferation. When implanted in vivo, the engineered tissues show good biocompatibility and outstanding interaction with the host tissue. Actually, they only cause a localized transitory inflammatory reaction at the implantation site, without any effect on other organs. Altogether, our results suggest that the inclusion of magnetic core-shell nanocomposites into biomaterials would enable tissue engineering of artificial substitutes whose mechanical properties could be tuned to match those of the potential target tissue. In a wider perspective, the good biocompatibility and magnetic behavior of the composites could be beneficial for many other applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr00224b

Direct evidence for radiative charge transfer after inner-shell excitation and ionization of large clusters

NASA Astrophysics Data System (ADS)

Hans, Andreas; Stumpf, Vasili; Holzapfel, Xaver; Wiegandt, Florian; Schmidt, Philipp; Ozga, Christian; Reiß, Philipp; Ben Ltaief, Ltaief; Küstner-Wetekam, Catmarna; Jahnke, Till; Ehresmann, Arno; Demekhin, Philipp V.; Gokhberg, Kirill; Knie, André

2018-01-01

We directly observe radiative charge transfer (RCT) in Ne clusters by dispersed vacuum-ultraviolet photon detection. The doubly ionized Ne2+-{{{N}}{{e}}}n-1 initial states of RCT are populated after resonant 1s-3p photoexcitation or 1s photoionization of Ne n clusters with < n> ≈ 2800. These states relax further producing Ne+-Ne+-{{{N}}{{e}}}n-2 final states, and the RCT photon is emitted. Ab initio calculations assign the observed RCT signal to the{}{{{N}}{{e}}}2+(2{{{p}}}-2{[}1{{D}}]){--}{{{N}}{{e}}}n-1 initial state, while transitions from other possible initial states are proposed to be quenched by competing relaxation processes. The present results are in agreement with the commonly discussed scenario, where the doubly ionized atom in a noble gas cluster forms a dimer which dissipates its vibrational energy on a picosecond timescale. Our study complements the picture of the RCT process in weakly bound clusters, providing information which is inaccessible by charged particle detection techniques.

Lifetime Measurement of Nickel-58 Using RDM with GRETINA

NASA Astrophysics Data System (ADS)

Loelius, Charles

2014-09-01

The structure of nuclei near the doubly magic 56Ni has provided a sensitive probe of configuration mixing across the N=Z=28 shell gap. The shell model description of nuclei in this region is well established, with the gxpf1 interaction accurately reproducing the energy levels and transition strengths of Nuclei in the vicinity of 56Ni. However, there remain open questions as to the effects of higher lying orbitals beyond the pf shell. These can be addressed by a study of the B(E2)'s of nuclei in near the shell gap, particularly the B(E2;4+ -->2+) where effects of high l orbitals may be enhanced. 58Ni provides a strong candidate for study, as the only previous B(E2;4+ -->2+) measurement using the Doppler Shift Attenuation Method resulted in a B(E2) three times larger than that predicted by theory. In order to determine the possible effects of higher lying orbitals, a second measurement of the lifetime of 58Ni was undertaken at the National Superconducting Cyclotron Laboratory using the the Gamma-Ray Energy Tracking in Beam Nuclear Array (GRETINA) and the Recoil Distance Method (RDM). Preliminary results of this measurement will be presented.

Static, free vibration and thermal analysis of composite plates and shells using a flat triangular shell element

NASA Astrophysics Data System (ADS)

Kapania, R. K.; Mohan, P.

1996-09-01

Finite element static, free vibration and thermal analysis of thin laminated plates and shells using a three noded triangular flat shell element is presented. The flat shell element is a combination of the Discrete Kirchhoff Theory (DKT) plate bending element and a membrane element derived from the Linear Strain Triangular (LST) element with a total of 18 degrees of freedom (3 translations and 3 rotations per node). Explicit formulations are used for the membrane, bending and membrane-bending coupling stiffness matrices and the thermal load vector. Due to a strong analogy between the induced strain caused by the thermal field and the strain induced in a structure due to an electric field the present formulation is readily applicable for the analysis of structures excited by surface bonded or embedded piezoelectric actuators. The results are presented for (i) static analysis of (a) simply supported square plates under doubly sinusoidal load and uniformly distributed load (b) simply supported spherical shells under a uniformly distributed load, (ii) free vibration analysis of (a) square cantilever plates, (b) skew cantilever plates and (c) simply supported spherical shells; (iii) Thermal deformation analysis of (a) simply supported square plates, (b) simply supported-clamped square plate and (c) simply supported spherical shells. A numerical example is also presented demonstrating the application of the present formulation to analyse a symmetrically laminated graphite/epoxy laminate excited by a layer of piezoelectric polyvinylidene flouride (PVDF). The results presented are in good agreement with those available in the literature.

Ab initio coupled-cluster and multi-reference configuration interaction studies of the low-lying electronic states of 1,2,3,4-cyclobutanetetraone

DOE PAGES

Hansen, Jared A.; Bauman, Nicholas P.; Shen, Jun; ...

2015-12-09

In this paper, the four, closely spaced, lowest energy electronic states of the challenging, D 4h-symmetric, 1,2,3,4-cyclobutanetetraone (C 4O 4) molecule have been investigated using high-level ab initio methods. The calculated states include the closed-shell singlet 8π( 1A 1g) state, the singlet 10π( 1A 1g) state, in which the π-type lowest unoccupied molecular orbital (LUMO) of the 8π( 1A 1g) reference is doubly occupied and the σ-type highest occupied molecular orbital (HOMO) is empty, and the open-shell singlet and triplet states, designated as 9π( 1B 2u) and 9π( 3B 2u), respectively, originating from single occupancy of the HOMO and LUMO.more » Our focus is on single-reference coupled-cluster (CC) approaches capable of handling electronic near-degeneracies in diradicals, especially the completely renormalised CR-CC(2,3) and active-space CCSDt methods, along with their CCSD and EOMCCSD counterparts. The internally contracted multi-reference configuration interaction calculations with a quasi-degenerate Davidson correction are performed as well. Our computations demonstrate that the state ordering is 9π( 3B 2u) < 8π( 1A 1g) < 9π( 1B 2u) < 10π( 1A 1g) and that the 8π( 1A 1g) - 9π( 3B 2u) gap is in the 7–11 kJ/mol range, in reasonable agreement with the negative ion photoelectron spectroscopy measurements, which give 6.27 ± 0.5 kJ/mol. Finally, in addition to the theory level used, geometry relaxation and basis set play a significant role in determining the state ordering and energy spacings. In particular, it is unsafe to use lower level, non-CC geometries and smaller basis sets.« less

Xenon (e,2e) triple differential cross sections

NASA Astrophysics Data System (ADS)

Mydlowski, Robert D.; Walters, H. R. J.; Whelan, Colm T.

2015-05-01

Recently there have been published some interesting experiments on the outer shell of xenon performed in doubly symmetric energy sharing arrangements. These experiments present a substantial challenge to theory, not only have we an extremely complex target but the kinematics are such that the key few body effects of exchange, distortion and post collisional electron-electron interaction (pci) and target polarization are likely to be at their strongest and the TDCS will be sensitive to them and their interference. Theoretical results will be presented and compared with experiment

Efficient photocatalytic degradation of gaseous N,N-dimethylformamide in tannery waste gas using doubly open-ended Ag/TiO2 nanotube array membranes

NASA Astrophysics Data System (ADS)

Zhao, Yang; Ma, Lin; Chang, Wenkai; Huang, Zhiding; Feng, Xugen; Qi, Xiaoxia; Li, Zenghe

2018-06-01

Gaseous N,N-dimethylformamide (DMF), typical volatile organic compound exhausted from manufacturing factories, may damage the health of workers under long-term exposure even at low levels. The defined geometry, porous surface and highly ordered channels make the free-standing anodic TiO2 nanotube (TiNT) arrays particularly suitable for applications of practical air purification by flow-through photocatalysis. In the present work, crystallized doubly open-ended Ag/TiNT array membranes were designed and prepared by employing a lift-off process based on an anodization-annealing-anodization-etching sequence, followed by uniform Ag nanoparticles decoration. For the photocatalytic degradation of gaseous DMF at low concentration levels close to that found in realistic pollutant air, an analytical methodology for the monitoring and determination of degradation process was developed based on the coupling of headspace sampling with gas chromatography mass spectrometry (HS-GC-MS). The doubly open-ended Ag/TiNT arrays exhibited higher removal efficiency of gaseous DMF from air compared with conventional bottom-closed Ag/TiNT arrays and pure bottomless TiNT arrays. These results indicated that the photocatalytic properties of TiNT arrays were improved with the open-bottom morphology and the Ag nanoparticles decoration. Based on the analysis with GC-MS and high performance ion chromatography (HPIC), it was found that demethylation is the main pathway of DMF degradation in photocatalytic reactions. Furthermore, decontamination of actual polluted tannery waste gas collected in leather factory proved that the photocatalysis on doubly open-ended Ag/TiNT array membrane is an efficient way and a promising application to treat air contaminated by DMF despite the complexity of various volatile organic compounds.

SINGLE AND DOUBLE PHOTOIONIZATION AND PHOTODISSOCIATION OF TOLUENE BY SOFT X-RAYS IN A CIRCUMSTELLAR ENVIRONMENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Monfredini, T.; Boechat-Roberty, H. M.; Fantuzzi, F.

The formation of polycyclic aromatic hydrocarbons (PAHs) and their methyl derivatives mainly occurs in the dust shells of asymptotic giant branch (AGB) stars. The bands at 3.3 and 3.4 μm, observed in infrared emission spectra of several objects, are attributed C–H vibrational modes in aromatic and aliphatic structures, respectively. In general, the feature at 3.3 μm is more intense than that at 3.4 μm. Photoionization and photodissociation processes of toluene, the precursor of methylated PAHs, were studied using synchrotron radiation at soft X-ray energies around the carbon K edge using time-of-flight mass spectrometry. Partial ion yields of a large numbermore » of ionic fragments were extracted from single and 2D-spectra, where electron-ion coincidences have revealed the doubly charged parent molecule and several doubly charged fragments containing seven carbon atoms with considerable abundance. Ab initio calculations based on density functional theory were performed in order to elucidate the chemical structure of these stable dicationic species. The survival of the dications subjected to hard inner shell ionization suggests that they could be observed in the interstellar medium, especially in regions where PAHs are detected. The ionization and destruction of toluene induced by X-rays were examined in the T Dra conditions, a carbon-rich AGB star. In this context, a minimum photodissociation radius and the half-life of toluene subjected to the incidence of the soft X-ray flux emitted from a companion white dwarf star were determined.« less

Single and Double Photoionization and Photodissociation of Toluene by Soft X-Rays in a Circumstellar Environment

NASA Astrophysics Data System (ADS)

Monfredini, T.; Fantuzzi, F.; Nascimento, M. A. C.; Wolff, W.; Boechat-Roberty, H. M.

2016-04-01

The formation of polycyclic aromatic hydrocarbons (PAHs) and their methyl derivatives mainly occurs in the dust shells of asymptotic giant branch (AGB) stars. The bands at 3.3 and 3.4 μm, observed in infrared emission spectra of several objects, are attributed C-H vibrational modes in aromatic and aliphatic structures, respectively. In general, the feature at 3.3 μm is more intense than that at 3.4 μm. Photoionization and photodissociation processes of toluene, the precursor of methylated PAHs, were studied using synchrotron radiation at soft X-ray energies around the carbon K edge using time-of-flight mass spectrometry. Partial ion yields of a large number of ionic fragments were extracted from single and 2D-spectra, where electron-ion coincidences have revealed the doubly charged parent molecule and several doubly charged fragments containing seven carbon atoms with considerable abundance. Ab initio calculations based on density functional theory were performed in order to elucidate the chemical structure of these stable dicationic species. The survival of the dications subjected to hard inner shell ionization suggests that they could be observed in the interstellar medium, especially in regions where PAHs are detected. The ionization and destruction of toluene induced by X-rays were examined in the T Dra conditions, a carbon-rich AGB star. In this context, a minimum photodissociation radius and the half-life of toluene subjected to the incidence of the soft X-ray flux emitted from a companion white dwarf star were determined.

Shell Evolution towards 78Ni: Low-Lying States in 77Cu

NASA Astrophysics Data System (ADS)

Sahin, E.; Bello Garrote, F. L.; Tsunoda, Y.; Otsuka, T.; de Angelis, G.; Görgen, A.; Niikura, M.; Nishimura, S.; Xu, Z. Y.; Baba, H.; Browne, F.; Delattre, M.-C.; Doornenbal, P.; Franchoo, S.; Gey, G.; Hadyńska-KlÈ©k, K.; Isobe, T.; John, P. R.; Jung, H. S.; Kojouharov, I.; Kubo, T.; Kurz, N.; Li, Z.; Lorusso, G.; Matea, I.; Matsui, K.; Mengoni, D.; Morfouace, P.; Napoli, D. R.; Naqvi, F.; Nishibata, H.; Odahara, A.; Sakurai, H.; Schaffner, H.; Söderström, P.-A.; Sohler, D.; Stefan, I. G.; Sumikama, T.; Suzuki, D.; Taniuchi, R.; Taprogge, J.; Vajta, Z.; Watanabe, H.; Werner, V.; Wu, J.; Yagi, A.; Yalcinkaya, M.; Yoshinaga, K.

2017-06-01

The level structure of the neutron-rich 77Cu nucleus is investigated through β -delayed γ -ray spectroscopy at the Radioactive Isotope Beam Factory of the RIKEN Nishina Center. Ions of 77Ni are produced by in-flight fission, separated and identified in the BigRIPS fragment separator, and implanted in the WAS3ABi silicon detector array, surrounded by Ge cluster detectors of the EURICA array. A large number of excited states in 77Cu are identified for the first time by correlating γ rays with the β decay of 77Ni, and a level scheme is constructed by utilizing their coincidence relationships. The good agreement between large-scale Monte Carlo shell model calculations and experimental results allows for the evaluation of the single-particle structure near 78Ni and suggests a single-particle nature for both the 5 /21- and 3 /21- states in 77Cu, leading to doubly magic 78Ni.

Coulomb Excitation of the N = 50 nucleus 80Zn

NASA Astrophysics Data System (ADS)

van de Walle, J.; Aksouh, F.; Ames, F.; Behrens, T.; Bildstein, V.; Blazhev, A.; Cederkäll, J.; Clément, E.; Cocolios, T. E.; Davinson, T.; Delahaye, P.; Eberth, J.; Ekström, A.; Fedorov, D. V.; Fedosseev, V. N.; Fraile, L. M.; Franchoo, S.; Gernhauser, R.; Georgiev, G.; Habs, D.; Heyde, K.; Huber, G.; Huyse, M.; Ibrahim, F.; Ivanov, O.; Iwanicki, J.; Jolie, J.; Kester, O.; Köster, U.; Kröll, T.; Krücken, R.; Lauer, M.; Lisetskiy, A. F.; Lutter, R.; Marsh, B. A.; Mayet, P.; Niedermaier, O.; Nilsson, T.; Pantea, M.; Perru, O.; Raabe, R.; Reiter, P.; Sawicka, M.; Scheit, H.; Schrieder, G.; Schwalm, D.; Seliverstov, M. D.; Sieber, T.; Sletten, G.; Smirnova, N.; Stanoiu, M.; Stefanescu, I.; Thomas, J.-C.; Valiente-Dobón, J. J.; van Duppen, P.; Verney, D.; Voulot, D.; Warr, N.; Weisshaar, D.; Wenander, F.; Wolf, B. H.; Zielińska, M.

2008-05-01

Neutron rich Zinc isotopes, including the N = 50 nucleus 80Zn, were produced and post-accelerated at the Radioactive Ion Beam (RIB) facility REX-ISOLDE (CERN). Low-energy Coulomb excitation was induced on these isotopes after post-acceleration, yielding B(E2) strengths to the first excited 2+ states. For the first time, an excited state in 80Zn was observed and the 21+ state in 78Zn was established. The measured B(E2,21+-->01+) values are compared to two sets of large scale shell model calculations. Both calculations reproduce the observed B(E2) systematics for the full Zinc isotopic chain. The results for N = 50 isotones indicate a good N = 50 shell closure and a strong Z = 28 proton core polarization. The new results serve as benchmarks to establish theoretical models, predicting the nuclear properties of the doubly magic nucleus 78Ni.

Exploring Closed-Shell Cationic Phenalenyl: From Catalysis to Spin Electronics.

PubMed

Mukherjee, Arup; Sau, Samaresh Chandra; Mandal, Swadhin K

2017-07-18

The odd alternant hydrocarbon phenalenyl (PLY) can exist in three different forms, a closed-shell cation, an open-shell radical, and a closed-shell anion, using its nonbonding molecular orbital (NBMO). The chemistry of PLY-based molecules began more than five decades ago, and so far, the progress has mainly involved the open-shell neutral radical state. Over the last two decades, we have witnessed the evolution of a range of PLY-based radicals generating an array of multifunctional materials. However, it has been admitted that the practical applications of PLY radicals are greatly challenged by the low stability of the open-shell (radical) state. Recently, we took a different route to establish the utility of these PLY molecules using the closed-shell cationic state. In such a design, the closed-shell unit of PLY can readily accept free electrons, stabilizing in its NBMO upon generation of the open-shell state of the molecule. Thus, one can synthetically avoid the unstable open-shell state but still take advantage of this state by in situ generating the radical through external electron transfer or spin injection into the empty NBMO. It is worth noting that such approaches using closed-shell phenalenyl have been missing in the literature. This Account focuses on our recent developments using the closed-shell cationic state of the PLY molecule and its application in broad multidisciplinary areas spanning from catalysis to spin electronics. We describe how this concept has been utilized to develop a variety of homogeneous catalysts. For example, this concept was used in designing an iron(III) PLY-based electrocatalyst for a single-compartment H 2 O 2 fuel cell, which delivered the best electrocatalytic activity among previously reported iron complexes, organometallic catalysts for various homogeneous organic transformations (hydroamination and polymerization), an organic Lewis acid catalyst for the ring opening of epoxides, and transition-metal-free C-H functionalization catalysts. Moreover, this concept of using the empty NBMO present in the closed-shell cationic state of the PLY moiety to capture electron(s) was further extended to an entirely different area of spin electronics to design a PLY-based spin-memory device, which worked by a spin-filtration mechanism using an organozinc compound based on a PLY backbone deposited over a ferromagnetic substrate. In this Account, we summarize our recent efforts to understand how this unexplored closed-shell state of the phenalenyl molecule, which has been known for over five decades, can be utilized in devising an array of materials that not only are important from an organometallic chemistry or organic chemistry point of view but also provide new understanding for device physics.

Ab initio Bogoliubov coupled cluster theory for open-shell nuclei

DOE PAGES

Signoracci, Angelo J.; Duguet, Thomas; Hagen, Gaute; ...

2015-06-29

Background: Ab initio many-body methods have been developed over the past 10 yr to address closed-shell nuclei up to mass A≈130 on the basis of realistic two- and three-nucleon interactions. A current frontier relates to the extension of those many-body methods to the description of open-shell nuclei. Several routes to address open-shell nuclei are currently under investigation, including ideas that exploit spontaneous symmetry breaking. Purpose: Singly open-shell nuclei can be efficiently described via the sole breaking of U(1) gauge symmetry associated with particle-number conservation as a way to account for their superfluid character. While this route was recently followed withinmore » the framework of self-consistent Green's function theory, the goal of the present work is to formulate a similar extension within the framework of coupled cluster theory. Methods: We formulate and apply Bogoliubov coupled cluster (BCC) theory, which consists of representing the exact ground-state wave function of the system as the exponential of a quasiparticle excitation cluster operator acting on a Bogoliubov reference state. Equations for the ground-state energy and the cluster amplitudes are derived at the singles and doubles level (BCCSD) both algebraically and diagrammatically. The formalism includes three-nucleon forces at the normal-ordered two-body level. The first BCC code is implemented in m scheme, which will permit the treatment of doubly open-shell nuclei via the further breaking of SU(2) symmetry associated with angular momentum conservation. Results: Proof-of-principle calculations in an N max=6 spherical harmonic oscillator basis for 16,18O and 18Ne in the BCCD approximation are in good agreement with standard coupled cluster results with the same chiral two-nucleon interaction, while 20O and 20Mg display underbinding relative to experiment. The breaking of U(1) symmetry, monitored by computing the variance associated with the particle-number operator, is relatively constant for all five nuclei, in both the Hartree-Fock-Bogoliubov and BCCD approximations. Conclusions: The newly developed many-body formalism increases the potential span of ab initio calculations based on single-reference coupled cluster techniques tremendously, i.e., potentially to reach several hundred additional midmass nuclei. The new formalism offers a wealth of potential applications and further extensions dedicated to the description of ground and excited states of open-shell nuclei. Short-term goals include the implementation of three-nucleon forces at the normal-ordered two-body level. Midterm extensions include the approximate treatment of triples corrections and the development of the equation-of-motion methodology to treat both excited states and odd nuclei. Long-term extensions include exact restoration of U(1) and SU(2) symmetries.« less

A Comparison of the Optimization and Analysis of Doubly Curved Shells Using MSC/NASTRAN and ASTROS

DTIC Science & Technology

1990-12-01

BMC(7,5)=I.OD+00 CALL BMAT (X1,RI,X2,R2,0.OD+00,B,DL) CALL EMAT(DNU,E,T,G) C C DO BMC*E*B C DO 100 J1=1,7 DO 100 J2=1,5 DO 100 J3=1,5 DO 100 J4=1,6...ELEMENT LENGTH. C SUBROUTINE BMAT (XI,RI,X2,R2,DKSI,B,DL) DOUBLE PRECISION XI,RI,X2,R2,DKSI,B(S,6),DL,R,PHI,CPR,SPR,R, &DKMDKP, DLINV C C EXPLANATION OF

Optical Spectroscopy Of Charged Quantum Dot Molecules

NASA Astrophysics Data System (ADS)

Scheibner, M.; Bracker, A. S.; Stinaff, E. A.; Doty, M. F.; Gammon, D.; Ponomarev, I. V.; Reinecke, T. L.; Korenev, V. L.

2007-04-01

Coupling between two closely spaced quantum dots is observed by means of photoluminescence spectroscopy. Hole coupling is realized by rational crystal growth and heterostructure design. We identify molecular resonances of different excitonic charge states, including the important case of a doubly charged quantum dot molecule.

Helium in chirped laser fields as a time-asymmetric atomic switch

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaprálová-Žďánská, Petra Ruth, E-mail: kapralova@jh-inst.cas.cz; J. Heyrovsky Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, Dolejškova 3, 182 23 Prague 8; Moiseyev, Nimrod, E-mail: nimrod@tx.technion.ac.il

2014-07-07

Tuning the laser parameters exceptional points in the spectrum of the dressed laser helium atom are obtained. The weak linearly polarized laser couples the ground state and the doubly excited P-states of helium. We show here that for specific chirped laser pulses that encircle an exceptional point one can get the time-asymmetric phenomenon, where for a negative chirped laser pulse the ground state is transformed into the doubly excited auto-ionization state, while for a positive chirped laser pulse the resonance state is not populated and the neutral helium atoms remains in the ground state as the laser pulse is turnedmore » off. Moreover, we show that the results are very sensitive to the closed contour we choose. This time-asymmetric state exchange phenomenon can be considered as a time-asymmetric atomic switch. The optimal time-asymmetric switch is obtained when the closed loop that encircles the exceptional point is large, while for the smallest loops, the time-asymmetric phenomenon does not take place. A systematic way for studying the effect of the chosen closed contour that encircles the exceptional point on the time-asymmetric phenomenon is proposed.« less

A test for correction made to spin systematics for coupled band in doubly-odd nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Vinod, E-mail: vinod2.k2@gmail.com

2015-12-15

Systematic Spin Assignments were generally made by using the argument that the energy of levels is a function of neutron number. In the present systematics, the excitation energy of the levels incorporated the effect of nuclear deformation and signature splitting. The nuclear deformation changes toward the mid-shell, therefore a smooth variation in the excitation energy of the levels is observed towards the mid-shell, that intended to make systematics as a function of neutron number towards the mid-shell. Another term “signature splitting” that push the energy of levels for odd- and even-spin sequences up and down, caused the different energy variationmore » pattern for odd- and even-spin sequences. The corrections made in the spin systematics were tested for the known spins of various isotopic chain. In addition, the inconsistency in spin assignments made by the spin systematics and other methods of the configuration πh{sub 11/2} ⊗ νh{sub 11/2} band belonging to {sup 112,114,116}Cs, {sup 126}Pr, and {sup 138}Pr, as an example, was resolved by the correctionmade in the present spin systematics.« less

Hydrogen bonding in ionic liquids.

PubMed

Hunt, Patricia A; Ashworth, Claire R; Matthews, Richard P

2015-03-07

Ionic liquids (IL) and hydrogen bonding (H-bonding) are two diverse fields for which there is a developing recognition of significant overlap. Doubly ionic H-bonds occur when a H-bond forms between a cation and anion, and are a key feature of ILs. Doubly ionic H-bonds represent a wide area of H-bonding which has yet to be fully recognised, characterised or explored. H-bonds in ILs (both protic and aprotic) are bifurcated and chelating, and unlike many molecular liquids a significant variety of distinct H-bonds are formed between different types and numbers of donor and acceptor sites within a given IL. Traditional more neutral H-bonds can also be formed in functionalised ILs, adding a further level of complexity. Ab initio computed parameters; association energies, partial charges, density descriptors as encompassed by the QTAIM methodology (ρBCP), qualitative molecular orbital theory and NBO analysis provide established and robust mechanisms for understanding and interpreting traditional neutral and ionic H-bonds. In this review the applicability and extension of these parameters to describe and quantify the doubly ionic H-bond has been explored. Estimating the H-bonding energy is difficult because at a fundamental level the H-bond and ionic interaction are coupled. The NBO and QTAIM methodologies, unlike the total energy, are local descriptors and therefore can be used to directly compare neutral, ionic and doubly ionic H-bonds. The charged nature of the ions influences the ionic characteristics of the H-bond and vice versa, in addition the close association of the ions leads to enhanced orbital overlap and covalent contributions. The charge on the ions raises the energy of the Ylp and lowers the energy of the X-H σ* NBOs resulting in greater charge transfer, strengthening the H-bond. Using this range of parameters and comparing doubly ionic H-bonds to more traditional neutral and ionic H-bonds it is clear that doubly ionic H-bonds cover the full range of weak through to very strong H-bonds.

Effect of vertebral shell on injection pressure and intravertebral pressure in vertebroplasty.

PubMed

Baroud, Gamal; Vant, Christianne; Giannitsios, Demetri; Bohner, Marc; Steffen, Thomas

2005-01-01

An experimental biomechanical study conducted on osteoporotic cadaveric vertebrae. 1) To measure the intravertebral shell pressure and injection pressure; and 2) to determine the effect of the vertebral shell on the intravertebral shell pressure and on the injection pressure. Forces that govern cement flow are an essential component of the cement injection process in vertebroplasty. The vertebral shell may play a significant role in confining the flow of cement in the vertebral body and thereby affecting the intravertebral pressure and injection pressure. A small fenestration was created in the left lateral vertebral shell of 14 vertebrae. A valve to open and close the fenestration and a sensor to measure the intravertebral pressure were attached to the opening. A closed fenestration simulated an intact shell, whereas an open fenestration represented a vented shell. Injection pressure and intravertebral pressure at the shell were recorded during a controlled injection. A closed fenestration resulted in a significant increase in the intravertebral pressure at the shell. During the injection, the shell pressure increased on average to approximately 3.54 +/- 2.91 kPa. Conversely, an open fenestration resulted in an instant relaxation of the shell pressure to the ambient pressure of 0 kPa. Additionally, the injection pressure was approximately 97 times higher than the shell pressure. The presence of vertebral shell seems to be important for intravertebral pressure. However, the intravertebral shell pressure adds very little to the injection pressure.

The 15 cm mercury ion thruster research 1975

NASA Technical Reports Server (NTRS)

Wilbur, P. J.

1975-01-01

Doubly charged ion current measurements in the beam of a SERT II thruster are shown to introduce corrections which bring its calculated thrust into close agreement with that measured during flight testing. A theoretical model of doubly charged ion production and loss in mercury electron bombardment thrusters is discussed and is shown to yield doubly-to-singly charged ion density ratios that agree with experimental measurements obtained on a 15 cm diameter thruster over a range of operating conditions. Single cusp magnetic field thruster operation is discussed and measured ion beam profiles, performance data, doubly charged ion densities, and discharge plasma characteristics are presented for a range of operating conditions and thruster geometries. Variations in the characteristics of this thruster are compared to those observed in the divergent field thruster and the cusped field thruster is shown to yield flatter ion beam profiles at about the same discharge power and propellant utilization operating point. An ion optics test program is described and the measured effects of grid system dimensions on ion beamlet half angle and diameter are examined. The effectiveness of hollow cathode startup using a thermionically emitting filament within the cathode is examined over a range of mercury flow rates and compared to results obtained with a high voltage tickler startup technique. Results of cathode plasma property measurement tests conducted within the cathode are presented.

New Atomic Data for Doubly Ionized Iron Group Atoms by High Resolution UV Fourier Transform Spectroscopy

NASA Technical Reports Server (NTRS)

Smith, Peter L.; Pickering, Juliet C.; Thorne, A. P.

2002-01-01

Currently available laboratory spectroscopic data of doubly ionized iron-group element were obtained about 50 years ago using spectrographs of modest dispersion, photographic plates, and eye estimates of intensities. The accuracy of the older wavelength data is about 10 mAngstroms at best, whereas wavelengths are now needed to an accuracy of 1 part in 10(exp 6) to 10(exp 7) (0.2 to 2 mAngstroms at 2000 Angstroms). The Fourier transform (FT) spectroscopy group at Imperial College, London, and collaborators at the Harvard College Observatory have used a unique VUV FT spectrometer in a program focussed on improving knowledge of spectra of many neutral and singly and doubly ionized, astrophysically important, iron group elements. Spectra of Fe II and Fe III have been recorded at UV and VUV wavelengths with signal-to-noise ratios of several hundred for the stronger lines. Wavelengths and energy levels for Fe III are an order of magnitude more accurate than previous work; analysis is close to completion. f-values for Fe II have been published.

Man And Woman at Yale

ERIC Educational Resources Information Center

Lever, Janet; Swartz, Pepper

1971-01-01

The authors conclude that the college system inhibits the natural development of relationships because of its goldfish bowl" effect. Yale men may find it doubly hard to be open, yet the people at Yale are generally bright and sensitive and may very well create a uniquely close and natural community. (Author)

Experimental and theoretical study of the B(2)2Σ+ → X(1)2Σ+ system in the KSr molecule

NASA Astrophysics Data System (ADS)

Szczepkowski, Jacek; Grochola, Anna; Kowalczyk, Paweł; Dulieu, Olivier; Guérout, Romain; Żuchowski, Piotr S.; Jastrzebski, Włodzimierz

2018-05-01

Spectral bands for the B(2)2Σ+ → X(1)2Σ+ electronic transition in the doubly-polar open-shell KSr molecule are recorded at moderate resolution using the thermoluminescence technique. The spectra are simulated using three kinds of advanced electronic structure calculations, allowing for an assessment of their accuracy on one hand, and for the derivation of fundamental spectroscopic constants of the X(1)2Σ+ KSr ground state and the excited electronic state B(2)2Σ+ , on the other hand. These results should facilitate further studies aiming at creating ultracold bosonic or fermionic KSr molecules.

Energy and charge transfer in ionized argon coated water clusters.

PubMed

Kočišek, J; Lengyel, J; Fárník, M; Slavíček, P

2013-12-07

We investigate the electron ionization of clusters generated in mixed Ar-water expansions. The electron energy dependent ion yields reveal the neutral cluster composition and structure: water clusters fully covered with the Ar solvation shell are formed under certain expansion conditions. The argon atoms shield the embedded (H2O)n clusters resulting in the ionization threshold above ≈15 eV for all fragments. The argon atoms also mediate more complex reactions in the clusters: e.g., the charge transfer between Ar(+) and water occurs above the threshold; at higher electron energies above ~28 eV, an excitonic transfer process between Ar(+)* and water opens leading to new products Ar(n)H(+) and (H2O)(n)H(+). On the other hand, the excitonic transfer from the neutral Ar* state at lower energies is not observed although this resonant process was demonstrated previously in a photoionization experiment. Doubly charged fragments (H2O)(n)H2(2+) and (H2O)(n)(2+) ions are observed and Intermolecular Coulomb decay (ICD) processes are invoked to explain their thresholds. The Coulomb explosion of the doubly charged cluster formed within the ICD process is prevented by the stabilization effect of the argon solvent.

Combined ab initio and density functional study on polaron to bipolaron transitions in oligophenyls and oligothiophenes

NASA Astrophysics Data System (ADS)

Irle, Stephan; Lischka, Hans

1997-08-01

Ab initio self-consistent-field (SCF), two-configuration SCF (TCSCF), and density functional theory (DFT) calculations on the charge-transfer complexes of doubly Li/Cl-doped oligothiophenes and oligo(p-phenyls) and on respective charged systems without counterions have been carried out in order to study polaron to bipolaron transitions. Oligomer chains up to octamers and the ring structures cyclo-dodecathiophene and cyclo-dodeca(p-phenyl) have been investigated. Special attention is paid to the open-shell biradical character of two isolated polaronic defects. It is found that the TCSCF and the spin-unrestricted DFT methods can be successfully applied. A bipolaron structure is obtained when the doping atoms are located on neighboring rings and when there is one undoped ring separating the two doped ones. If there are two or more undoped rings in between a two-polaron configuration (biradical) is found. The bipolaron system is calculated to be more stable than the two-polaron case when counterions are taken into account. The stabilities are reversed if the bare, doubly-charged systems are considered. A theoretical estimate for the barrier height of the polaron to bipolaron transition is given using model reaction coordinates.

Spectral types of four binaries based on photometric observations

NASA Astrophysics Data System (ADS)

Shimanskii, V. V.; Bikmaev, I. F.; Borisov, N. V.; Vlasyuk, V. V.; Galeev, A. I.; Sakhibullin, N. A.; Spiridonova, O. I.

2008-09-01

We present results of photometric and spectroscopic observations of four close binaries with subdwarf B components: PG 0918+029, PG 1000+408, PG 1116+301, PG 0001+275. We discovered that PG 1000+408 is a close binary, with the most probable orbital period being P orb = 1.041145 day. Based on a comparison of the observed light curves at selected orbital phases and theoretical predictions for their variations, all the systems are classified as doubly degenerate binaries with low-luminosity white-dwarf secondaries.

Mesoscale studies of ionic closed membranes with polyhedral geometries

DOE PAGES

Olvera de la Cruz, Monica

2016-06-01

Large crystalline molecular shells buckle spontaneously into icosahedra while multicomponent shells buckle into various polyhedra. Continuum elastic theory explains the buckling of closed shells with one elastic component into icosahedra. A generalized elastic model, on the other hand, describes the spontaneous buckling of inhomogeneous shells into regular and irregular polyhedra. By coassembling water-insoluble anionic (–1) amphiphiles with cationic (3+) amphiphiles, we realized ionic vesicles. Results revealed that surface crystalline domains and the unusual shell shapes observed arise from the competition of ionic correlations with charge-regulation. We explain here the mechanism by which these ionic membranes generate a mechanically heterogeneous vesicle.

Fragmentation Patterns and Mechanisms of Singly and Doubly Protonated Peptoids Studied by Collision Induced Dissociation

NASA Astrophysics Data System (ADS)

Ren, Jianhua; Tian, Yuan; Hossain, Ekram; Connolly, Michael D.

2016-04-01

Peptoids are peptide-mimicking oligomers consisting of N-alkylated glycine units. The fragmentation patterns for six singly and doubly protonated model peptoids were studied via collision-induced dissociation tandem mass spectrometry. The experiments were carried out on a triple quadrupole mass spectrometer with an electrospray ionization source. Both singly and doubly protonated peptoids were found to fragment mainly at the backbone amide bonds to produce peptoid B-type N-terminal fragment ions and Y-type C-terminal fragment ions. However, the relative abundances of B- versus Y-ions were significantly different. The singly protonated peptoids fragmented by producing highly abundant Y-ions and lesser abundant B-ions. The Y-ion formation mechanism was studied through calculating the energetics of truncated peptoid fragment ions using density functional theory and by controlled experiments. The results indicated that Y-ions were likely formed by transferring a proton from the C-H bond of the N-terminal fragments to the secondary amine of the C-terminal fragments. This proton transfer is energetically favored, and is in accord with the observation of abundant Y-ions. The calculations also indicated that doubly protonated peptoids would fragment at an amide bond close to the N-terminus to yield a high abundance of low-mass B-ions and high-mass Y-ions. The results of this study provide further understanding of the mechanisms of peptoid fragmentation and, therefore, are a valuable guide for de novo sequencing of peptoid libraries synthesized via combinatorial chemistry.

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

DOE PAGES

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

2015-01-15

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

Spectroscopic properties of 130Sb, 132Te and 134I nuclei in 100-132Sn magic cores

NASA Astrophysics Data System (ADS)

Benrachi, Fatima; Khiter, Meriem; Laouet, Nadjet

2017-09-01

We have performed shell model calculations by means of Oxbash nuclear structure code using recent experimental single particle (spes) and single hole (shes) energies with valence space models above the 100sn and 132sn doubly magic cores. The two-body matrix elements (tbme) of original CD-Bonn realistic interaction are introduced after have been modified taking into account the three-body forces. We have focused our study on spectroscopic properties evaluation of 130Sb, 132Te and 134I nuclei, in particular their energy spectra, transition probabilities and moments have been determined. The getting spectra are in reasonable agreement with the experimental data.

Quantum-Chemical ab initio Calculations on the Three Isomers of Diborabenzene (C4H4B2)

NASA Astrophysics Data System (ADS)

Singh, Jaswinder; Wang, Yuekui; Raabe, Gerhard

2010-01-01

Quantum-chemical ab initio calculations up to the ZPE+CCSD(T)/aug-cc-pVTZ//MP2/6- 311++G** level were performed on three possible structural isomers of diborabenzene (C4H4B2). All three molecules were found to be local minima on the C4H4B2 energy surface and to have closed shell singlet ground states. While the ground states of the 1,3- and 1,4-isomer are planar and of C2v and D2h symmetry, respectively, 1,2-diborabenzene is non-planar with a C2 axis passing through the center of the BB bond and the middle of the opposite carbon-carbon bond as the only symmetry element. The energetically most favourable 1,3-diborabenzene was found to be about 19 and 36 kcal/mol lower in energy than the 1,2- and the 1,4-isomer. Planar 1,3- and 1,4-diborabenzene have three doubly occupied π orbitals while non-planar 1,2-diborabenzene has also three doubly occupied orbitals which can be derived from the π orbitals of its 3.7 kcal/mol energetically less favourable planar form ("π-like" orbitals). The lowest unoccupied orbitals of all three isomers have σ symmetry with large coefficients at the two boron atoms. These orbitals are lower in energy than the lowest unoccupied molecular orbitals (LUMOs) of e. g. benzene and pyridine and might cause pronounced acceptor properties which could be one of the reasons for the elusiveness of the title compounds. The results of bond separation reactions show that cyclic conjugation stabilizes all three diborabenzenes relative to their isolated fragments. The most effective stabilization energy of about 24 kcal/mol was found for the energetically lowest 1,3-isomer. This value amounts to approximately one third of the experimental value for the bond separation energy of pyridine. In all cases the energetically lowest triplet states are significantly (16 - 24 kcal/mol) higher in energy than the singlet ground states. Also among the triplets the 1,3-isomer is the energetically most fabourable species.

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.

Systematics of nuclear deformation in large regions

NASA Astrophysics Data System (ADS)

Zhao, Y. M.; Arima, A.; Casten, R. F.

2001-06-01

In this paper we present the systematics of nuclear deformation for even-even, even-odd, odd-even, and doubly odd nuclei in four regions: the 50

Study of SHE at SHIP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofmanna, Sigurd; Institut fuer Kernphysik, Goethe-Universitaet Frankfurt, Max von Laue-Strasse 1, 60438 Frankfurt am Main

2010-06-01

The nuclear shell model predicts that the next doubly magic shell-closure beyond {sup 208}Pb is at a proton number Z = 114, 120, or 126 and at a neutron number N = 184. The outstanding aim of experimental investigations is the exploration of this region of spherical 'SuperHeavy Elements'(SHEs). Experimental methods are described, which allowed for the identification of elements produced on a cross-section level of about 1 pb. Reactions used at SHIP are based on targets of lead and uranium. The decay data reveal that for the heaviest elements, the dominant decay mode is alpha emission, not fission. Decaymore » properties as well as reaction cross-sections are compared with results obtained at other laboratories and with results of theoretical investigations. Finally, plans are presented for the further development of the experimental set-up and the application of new techniques, as for instance the precise mass measurement of the produced nuclei using ion traps. At increased sensitivity, detailed exploration of the region of spherical SHEs will start, after first steps on the island of SHEs were made in recent years.« less

Studies of SHE at SHIP

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofmann, Sigurd; Institut fuer Kernphysik, Goethe-Universitaet Frankfurt, Max von Laue-Strasse 1, 60438 Frankfurt am Main

2010-04-30

The nuclear shell model predicts that the next doubly magic shell-closure beyond {sup 208}Pb is at a proton number Z = 114, 120, or 126 and at a neutron number N = 184. The outstanding aim of experimental investigations is the exploration of this region of spherical 'Super-Heavy Elements'(SHEs). Experimental methods are described, which allowed for the identification of elements produced on a cross-section level of about 1 pb. Reactions used at SHIP are based on targets of lead and uranium. The decay data reveal that for the heaviest elements, the dominant decay mode is alpha emission, not fission. Decaymore » properties as well as reaction cross-sections are compared with results obtained at other laboratories and with results of theoretical investigations. Finally, plans are presented for the further development of the experimental setup and the application of new techniques, as for instance the precise mass measurement of the produced nuclei using ion traps. At increased sensitivity, detailed exploration of the region of spherical SHEs will start, after first steps on the island of SHEs were made in recent years.« less

Correlations of neutron multiplicity and γ -ray multiplicity with fragment mass and total kinetic energy in spontaneous fission of Cf 252

DOE PAGES

Wang, Taofeng; Li, Guangwu; Zhu, Liping; ...

2016-01-08

The dependence of correlations of neutron multiplicity ν and γ-ray multiplicity M γ in spontaneous fission of 252Cf on fragment mass A* and total kinetic energy (TKE) have been investigated by employing the ratio of M γ/ν and the form of M γ(ν). We show for the first time that M γ and ν have a complex correlation for heavy fragment masses, while there is a positive dependence of Mγ for light fragment masses and for near-symmetric mass splits. The ratio M γ/ν exhibits strong shell effects for neutron magic number N=50 and near doubly magic number shell closure atmore » Z=50 and N=82. The γ-ray multiplicity Mγ has a maximum for TKE=165-170 MeV. Above 170 MeV M γ(TKE) is approximately linear, while it deviates significantly from a linear dependence at lower TKE. The correlation between the average neutron and γ-ray multiplicities can be partly reproduced by model calculations.« less

Control Demonstration of Multiple Doubly-Fed Induction Motors for Hybrid Electric Propulsion

NASA Technical Reports Server (NTRS)

Sadey, David J.; Bodson, Marc; Csank, Jeffrey T.; Hunker, Keith R.; Theman, Casey J.; Taylor, Linda M.

2017-01-01

The Convergent Aeronautics Solutions (CAS) High Voltage-Hybrid Electric Propulsion (HVHEP) task was formulated to support the move into future hybrid-electric aircraft. The goal of this project is to develop a new AC power architecture to support the needs of higher efficiency and lower emissions. This proposed architecture will adopt the use of the doubly-fed induction machine (DFIM) for propulsor drive motor application.The Convergent Aeronautics Solutions (CAS) High Voltage-Hybrid Electric Propulsion (HVHEP) task was formulated to support the move into future hybrid-electric aircraft. The goal of this project is to develop a new AC power architecture to support the needs of higher efficiency and lower emissions. This proposed architecture will adopt the use of the doubly-fed induction machine (DFIM) for propulsor drive motor application. DFIMs are attractive for several reasons, including but not limited to the ability to self-start, ability to operate sub- and super-synchronously, and requiring only fractionally rated power converters on a per-unit basis depending on the required range of operation. The focus of this paper is based specifically on the presentation and analysis of a novel strategy which allows for independent operation of each of the aforementioned doubly-fed induction motors. This strategy includes synchronization, soft-start, and closed loop speed control of each motor as a means of controlling output thrust; be it concurrently or differentially. The demonstration of this strategy has recently been proven out on a low power test bed using fractional horsepower machines. Simulation and hardware test results are presented in the paper.

Semiempirical modeling of Ag nanoclusters: New parameters for optical property studies enable determination of double excitation contributions to plasmonic excitation

DOE PAGES

Gieseking, Rebecca L.; Ratner, Mark A.; Schatz, George C.

2016-06-03

Quantum mechanical studies of Ag nanoclusters have shown that plasmonic behavior can be modeled in terms of excited states where collectivity among single excitations leads to strong absorption. However, new computational approaches are needed to provide understanding of plasmonic excitations beyond the single-excitation level. We show that semiempirical INDO/CI approaches with appropriately selected parameters reproduce the TD-DFT optical spectra of various closed-shell Ag clusters. The plasmon-like states with strong optical absorption comprise linear combinations of many singly excited configurations that contribute additively to the transition dipole moment, whereas all other excited states show significant cancellation among the contributions to themore » transition dipole moment. The computational efficiency of this approach allows us to investigate the role of double excitations at the INDO/SDCI level. The Ag cluster ground states are stabilized by slight mixing with doubly excited configurations, but the plasmonic states generally retain largely singly excited character. The consideration of double excitations in all cases improves the agreement of the INDO/CI absorption spectra with TD-DFT, suggesting that the SDCI calculation effectively captures some of the ground-state correlation implicit in DFT. Furthermore, these results provide the first evidence to support the commonly used assumption that single excitations are in many cases sufficient to describe the optical spectra of plasmonic excitations quantum mechanically.« less

A circumferential crack in a cylindrical shell under tension.

NASA Technical Reports Server (NTRS)

Duncan-Fama, M. E.; Sanders, J. L., Jr.

1972-01-01

A closed cylindrical shell under uniform internal pressure has a slit around a portion of its circumference. Linear shallow shell theory predicts inverse square-root-type singularities in certain of the stresses at the crack tips. This paper reports the computed strength of these singularities for different values of a dimensionless parameter based on crack length, shell radius and shell thickness.

Improving the In-Medium Similarity Renormalization Group via approximate inclusion of three-body effects

NASA Astrophysics Data System (ADS)

Morris, Titus; Bogner, Scott

2016-09-01

The In-Medium Similarity Renormalization Group (IM-SRG) has been applied successfully to the ground state of closed shell finite nuclei. Recent work has extended its ability to target excited states of these closed shell systems via equation of motion methods, and also complete spectra of the whole SD shell via effective shell model interactions. A recent alternative method for solving of the IM-SRG equations, based on the Magnus expansion, not only provides a computationally feasible route to producing observables, but also allows for approximate handling of induced three-body forces. Promising results for several systems, including finite nuclei, will be presented and discussed.

Einstein observations of selected close binaries and shell stars

NASA Technical Reports Server (NTRS)

Guinan, E. F.; Koch, R. H.; Plavec, M. J.

1984-01-01

Several evolved close binaries and shell stars were observed with the IPC aboard the HEAO 2 Einstein Observatory. No eclipsing target was detected, and only two of the shell binaries were detected. It is argued that there is no substantial difference in L(X) for eclipsing and non-eclipsing binaries. The close binary and shell star CX Dra was detected as a moderately strong source, and the best interpretation is that the X-ray flux arises primarily from the corona of the cool member of the binary at about the level of Algol-like or RS CVn-type sources. The residual visible-band light curve of this binary has been modeled so as to conform as well as possible with this interpretation. HD 51480 was detected as a weak source. Substantial background information from IUE and ground scanner measurements are given for this binary. The positions and flux values of several accidentally detected sources are given.

Towards a data-driven analysis of hadronic light-by-light scattering

NASA Astrophysics Data System (ADS)

Colangelo, Gilberto; Hoferichter, Martin; Kubis, Bastian; Procura, Massimiliano; Stoffer, Peter

2014-11-01

The hadronic light-by-light contribution to the anomalous magnetic moment of the muon was recently analyzed in the framework of dispersion theory, providing a systematic formalism where all input quantities are expressed in terms of on-shell form factors and scattering amplitudes that are in principle accessible in experiment. We briefly review the main ideas behind this framework and discuss the various experimental ingredients needed for the evaluation of one- and two-pion intermediate states. In particular, we identify processes that in the absence of data for doubly-virtual pion-photon interactions can help constrain parameters in the dispersive reconstruction of the relevant input quantities, the pion transition form factor and the helicity partial waves for γ*γ* → ππ.

Improved perturbative QCD formalism for Bc meson decays

NASA Astrophysics Data System (ADS)

Liu, Xin; Li, Hsiang-nan; Xiao, Zhen-Jun

2018-06-01

We derive the kT resummation for doubly heavy-flavored Bc meson decays by including the charm quark mass effect into the known formula for a heavy-light system. The resultant Sudakov factor is employed in the perutrbative QCD study of the "golden channel" Bc+→J /ψ π+. With a reasonable model for the Bc meson distribution amplitude, which maintains approximate on-shell conditions of both the partonic bottom and charm quarks, it is observed that the imaginary piece of the Bc→J /ψ transition form factor appears to be power suppressed, and the Bc+→J /ψ π+ branching ratio is not lower than 10-3. The above improved perturbative QCD formalism is applicable to Bc meson decays to other charmonia and charmed mesons.

Study of isomeric states in 198,200,202,206Pb and 206Hg populated in fragmentation reactions

NASA Astrophysics Data System (ADS)

Lalović, N.; Rudolph, D.; Podolyák, Zs; Sarmiento, L. G.; Simpson, E. C.; Alexander, T.; Cortés, M. L.; Gerl, J.; Golubev, P.; Ameil, F.; Arici, T.; Bauer, Ch; Bazzacco, D.; Bentley, M. A.; Boutachkov, P.; Bowry, M.; Fahlander, C.; Gadea, A.; Gellanki, J.; Givechev, A.; Goel, N.; Górska, M.; Gottardo, A.; Gregor, E.; Guastalla, G.; Habermann, T.; Hackstein, M.; Jungclaus, A.; Kojouharov, I.; Kumar, R.; Kurz, N.; Lettmann, M.; Lizarazo, C.; Louchart, C.; Merchán, E.; Michelagnoli, C.; Moeller, Th; Moschner, K.; Patel, Z.; Pietralla, N.; Pietri, S.; Ralet, D.; Reese, M.; Regan, P. H.; Reiter, P.; Schaffner, H.; Singh, P.; Stahl, C.; Stegmann, R.; Stezowski, O.; Taprogge, J.; Thöle, P.; Wendt, A.; Wieland, O.; Wilson, E.; Wood, R.; Wollersheim, H.-J.; Birkenbach, B.; Bruyneel, B.; Burrows, I.; Clément, E.; Désesquelles, P.; Domingo-Pardo, C.; Eberth, J.; González, V.; Hess, H.; Jolie, J.; Judson, D. S.; Menegazzo, R.; Mengoni, D.; Napoli, D. R.; Pullia, A.; Quintana, B.; Rainovski, G.; Salsac, M. D.; Sanchis, E.; Simpson, J.; Valiente Dóbon, J. J.; AGATA Collaboration

2018-03-01

Isomeric states in isotopes in the vicinity of doubly-magic 208Pb were populated following reactions of a relativistic 208Pb primary beam impinging on a 9Be fragmentation target. Secondary beams of 198,200,202,206Pb and 206Hg were isotopically separated and implanted in a passive stopper positioned in the focal plane of the GSI Fragment Separator. Delayed γ rays were detected with the Advanced Gamma Tracking Array (AGATA). Decay schemes were re-evaluated and interpreted with shell-model calculations. The momentum-dependent population of isomeric states in the two-nucleon hole nuclei 206Pb/206Hg was found to differ from the population of multi neutron-hole isomeric states in 198,200,202Pb.

Pancake π–π Bonding Goes Double: Unexpected 4e/All-Sites Bonding in Boron- and Nitrogen-Doped Phenalenyls

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tian, Yong-Hui; Sumpter, Bobby G.; Du, Shiyu

Phenalenyl is an important neutral pi-radical due to its capability to form unconventional pancake pi-pi bonding interactions, whereas its analogues with graphitic boron (B) or nitrogen (N)-doping have been regarded as closed-shell systems and therefore received much less attention. By using high-level quantum chemistry calculations, we also show that the B- and N-doped closed-shell phenalenyls unexpectedly form open-shell singlet pi-dimers with diradicaloid character featuring 2e/all-sites double pi-pi bonding. Moreover, by proper substitutions, the doped phenalenyl derivatives can be made open-shell species that form closed shell singlet pi-dimers bound by stronger 4e/all-sites double pi-pi bonding. Moreover, covalent pi-pi bonding overlap ismore » distributed on all of the atomic sites giving robust and genuine pancake-shaped pi-dimers which, depending on the number of electrons available in the bonding interactions, are equally or more stable than the pi-dimers of the pristine phenalenyl.« less

Pancake π–π Bonding Goes Double: Unexpected 4e/All-Sites Bonding in Boron- and Nitrogen-Doped Phenalenyls

DOE PAGES

Tian, Yong-Hui; Sumpter, Bobby G.; Du, Shiyu; ...

2015-06-03

Phenalenyl is an important neutral pi-radical due to its capability to form unconventional pancake pi-pi bonding interactions, whereas its analogues with graphitic boron (B) or nitrogen (N)-doping have been regarded as closed-shell systems and therefore received much less attention. By using high-level quantum chemistry calculations, we also show that the B- and N-doped closed-shell phenalenyls unexpectedly form open-shell singlet pi-dimers with diradicaloid character featuring 2e/all-sites double pi-pi bonding. Moreover, by proper substitutions, the doped phenalenyl derivatives can be made open-shell species that form closed shell singlet pi-dimers bound by stronger 4e/all-sites double pi-pi bonding. Moreover, covalent pi-pi bonding overlap ismore » distributed on all of the atomic sites giving robust and genuine pancake-shaped pi-dimers which, depending on the number of electrons available in the bonding interactions, are equally or more stable than the pi-dimers of the pristine phenalenyl.« less

Dynamic Average-Value Modeling of Doubly-Fed Induction Generator Wind Energy Conversion Systems

NASA Astrophysics Data System (ADS)

Shahab, Azin

In a Doubly-fed Induction Generator (DFIG) wind energy conversion system, the rotor of a wound rotor induction generator is connected to the grid via a partial scale ac/ac power electronic converter which controls the rotor frequency and speed. In this research, detailed models of the DFIG wind energy conversion system with Sinusoidal Pulse-Width Modulation (SPWM) scheme and Optimal Pulse-Width Modulation (OPWM) scheme for the power electronic converter are developed in detail in PSCAD/EMTDC. As the computer simulation using the detailed models tends to be computationally extensive, time consuming and even sometimes not practical in terms of speed, two modified approaches (switching-function modeling and average-value modeling) are proposed to reduce the simulation execution time. The results demonstrate that the two proposed approaches reduce the simulation execution time while the simulation results remain close to those obtained using the detailed model simulation.

B(E2)↑ Measurements for Radioactive Neutron-Rich Ge Isotopes: Reaching the N=50 Closed Shell

NASA Astrophysics Data System (ADS)

Padilla-Rodal, E.; Galindo-Uribarri, A.; Baktash, C.; Batchelder, J. C.; Beene, J. R.; Bijker, R.; Brown, B. A.; Castaños, O.; Fuentes, B.; del Campo, J. Gomez; Hausladen, P. A.; Larochelle, Y.; Lisetskiy, A. F.; Mueller, P. E.; Radford, D. C.; Stracener, D. W.; Urrego, J. P.; Varner, R. L.; Yu, C.-H.

2005-03-01

The B(E2;0+1→2+1) values for the radioactive neutron-rich germanium isotopes 78,80Ge and the closed neutron shell nucleus 82Ge were measured at the HRIBF using Coulomb excitation in inverse kinematics. These data allow a study of the systematic trend between the subshell closures at N=40 and 50. The B(E2) behavior approaching N=50 is similar to the trend observed for heavier isotopic chains. A comparison of the experimental results with a shell model calculation demonstrates persistence of the N=50 shell gap and a strong sensitivity of the B(E2) values to the effective interaction.

A Theoretical Investigation of the Infrared Spectroscopic Properties of Closed-Shell Polycyclic Aromatic Hydrocarbon Cations

NASA Technical Reports Server (NTRS)

Hudgins, Douglas M.; Bauschlicher, Charles W., Jr.; Allamandola, Louis J.; DeVincenzi, Donald L. (Technical Monitor)

2000-01-01

Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of PAH cations which explore both size and electronic structure effects on the infrared spectroscopic of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms and (2) protonated PAH cations. Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18, in both neutral and (radical) cationic form are also reported and compared to those of the other species. Closed-shell species are inherently less reactive than radical (or open-shell) cations and are known to play a role in combustion chemistry. Since interstellar PAHs are typically exposed to abundant atomic hydrogen and are thought to originate under pseudo-combustion conditions in carbon-rich circumstellar shells, such species may represent an important component of the interstellar PAH population. Furthermore, species larger than 50 carbon atoms are more representative of the size of the typical interstellar PAH. Overall, as has been the case for previous studies of PAH radical cations, the general pattern of band positions and intensities are consistent with that of the interstellar infrared emission spectrum. In addition, the spectra of closed-shell and open-shell cations are found to converge with increasing molecular size and are found to be relatively similar for species containing about 50 carbon atoms.

Yrast excitations of neutron-rich nuclei around doubly magic Tin-132

NASA Astrophysics Data System (ADS)

Bhattacharyya, Pallab Kumar

Investigation of the yrast structures of neutron-rich nuclei around the double closed shell nucleus 132Sn is important in the understanding of simple two-body nucleon-nucleon interactions in that region. However conventional fusion-evaporation methods do not populate these nuclei and β-decay studies are useful only in studying low spin states. The spectroscopy of these nuclei from thick target γ-γ coincidence measurements of deep inelastic heavy ion collisions as well as from fission fragment γ-ray studies using large multidetector arrays are presented in this thesis. Analyses of data from the 124Sn + 665 MeV 136Xe and 130Te + 272 MeV 64Ni deep inelastic experiments identified new yrast isomers in the N = 80 nuclei 134Xe and 136Ba which de- excite by γ-ray cascades concluding with their known 4+/to2+ and 2+/to0+ transitions. The isomeric decay characteristics are presented and discussed in light of the systematic features in N = 80 isotones. By analyzing fission product γ-ray data measured at Eurogam II using a 248Cm source, yrast level structures of the two-, three- and four-proton N = 82 isotones 134Te, 135I and 136Xe were developed, and the proton-proton interactions from the two-body nucleus 134Te were used in interpreting 135I and 136Xe levels using shell model calculations. From the same data the yrast states in the N = 83 isotones 134Sb, 135Te, 136I and 137Xe were explored, and key proton-neutron interactions were extracted from the 134Sb level spectrum which were used in interpreting the levels of the other N = 83 isotones. Similarly yrast states in previously unexplored N = 81 isotones 132Sb and 133Te were also identified and interpreted with shell model calculations; the 132Sb level spectrum yielded important proton-neutron hole interactions. Neutron core-excited states at higher energies were also identified in most of these nuclei. For establishing isotopic assignments of unknown cascades, the γgamma cross coincidences between heavy and light fission partners were vital. Overall, both deep inelastic and fission product studies have contributed to the exploration of an otherwise inaccessible region of the nuclidic chart. This opens up a new horizon in studying the structure of these important neutron-rich nuclei.

Masses and sigma terms of doubly charmed baryons up to O (p4) in manifestly Lorentz-invariant baryon chiral perturbation theory

NASA Astrophysics Data System (ADS)

Yao, De-Liang

2018-02-01

We calculate the masses and sigma terms of the doubly charmed baryons up to next-to-next-to-next-to-leading order [i.e., O (p4) ] in a covariant baryon chiral perturbation theory by using the extended-on-mass-shell renormalization scheme. Their expressions both in infinite and finite volumes are provided for chiral extrapolation in lattice QCD. As a first application, our chiral results of the masses are confronted with the existing lattice QCD data in the presence of finite-volume corrections. Up to O (p3) , all relevant low-energy constants can be well determined. As a consequence, we obtain the physical values for the masses of Ξc c and Ωc c baryons by extrapolating to the physical limit. Our determination of the Ξc c mass is consistent with the recent experimental value by LHCb Collaboration, however, larger than the one by SELEX Collaboration. In addition, we predict the pion-baryon and strangeness-baryon sigma terms, as well as the mass splitting between the Ξc c and Ωc c states. Their quark mass dependences are also discussed. The numerical procedure can be applied to the chiral results of O (p4) order, where more unknown constants are involved, when more data are available for unphysical pion masses.

Basis set and electron correlation effects on the polarizability and second hyperpolarizability of model open-shell π-conjugated systems

NASA Astrophysics Data System (ADS)

Champagne, Benoı̂t; Botek, Edith; Nakano, Masayoshi; Nitta, Tomoshige; Yamaguchi, Kizashi

2005-03-01

The basis set and electron correlation effects on the static polarizability (α) and second hyperpolarizability (γ) are investigated ab initio for two model open-shell π-conjugated systems, the C5H7 radical and the C6H8 radical cation in their doublet state. Basis set investigations evidence that the linear and nonlinear responses of the radical cation necessitate the use of a less extended basis set than its neutral analog. Indeed, double-zeta-type basis sets supplemented by a set of d polarization functions but no diffuse functions already provide accurate (hyper)polarizabilities for C6H8 whereas diffuse functions are compulsory for C5H7, in particular, p diffuse functions. In addition to the 6-31G*+pd basis set, basis sets resulting from removing not necessary diffuse functions from the augmented correlation consistent polarized valence double zeta basis set have been shown to provide (hyper)polarizability values of similar quality as more extended basis sets such as augmented correlation consistent polarized valence triple zeta and doubly augmented correlation consistent polarized valence double zeta. Using the selected atomic basis sets, the (hyper)polarizabilities of these two model compounds are calculated at different levels of approximation in order to assess the impact of including electron correlation. As a function of the method of calculation antiparallel and parallel variations have been demonstrated for α and γ of the two model compounds, respectively. For the polarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset methods bracket the reference value obtained at the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples level whereas the projected unrestricted second-order Møller-Plesset results are in much closer agreement with the unrestricted coupled cluster singles and doubles with a perturbative inclusion of the triples values than the projected unrestricted Hartree-Fock results. Moreover, the differences between the restricted open-shell Hartree-Fock and restricted open-shell second-order Møller-Plesset methods are small. In what concerns the second hyperpolarizability, the unrestricted Hartree-Fock and unrestricted second-order Møller-Plesset values remain of similar quality while using spin-projected schemes fails for the charged system but performs nicely for the neutral one. The restricted open-shell schemes, and especially the restricted open-shell second-order Møller-Plesset method, provide for both compounds γ values close to the results obtained at the unrestricted coupled cluster level including singles and doubles with a perturbative inclusion of the triples. Thus, to obtain well-converged α and γ values at low-order electron correlation levels, the removal of spin contamination is a necessary but not a sufficient condition. Density-functional theory calculations of α and γ have also been carried out using several exchange-correlation functionals. Those employing hybrid exchange-correlation functionals have been shown to reproduce fairly well the reference coupled cluster polarizability and second hyperpolarizability values. In addition, inclusion of Hartree-Fock exchange is of major importance for determining accurate polarizability whereas for the second hyperpolarizability the gradient corrections are large.

Chiral Lagrangian with Heavy Quark-Diquark Symmetry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jie Hu; Thomas Mehen

2005-11-29

We construct a chiral Lagrangian for doubly heavy baryons and heavy mesons that is invariant under heavy quark-diquark symmetry at leading order and includes the leading O(1/m{sub Q}) symmetry violating operators. The theory is used to predict the electromagnetic decay width of the J=3/2 member of the ground state doubly heavy baryon doublet. Numerical estimates are provided for doubly charm baryons. We also calculate chiral corrections to doubly heavy baryon masses and strong decay widths of low lying excited doubly heavy baryons.

First-excited state g factor of Te 136 by the recoil in vacuum method

DOE PAGES

Stuchbery, A. E.; Allmond, J. M.; Danchev, M.; ...

2017-07-27

The g factor of the first 2 + state of radioactive 136Te with two valence protons and two valence neutrons beyond double-magic 132Sn has been measured by the recoil in vacuum (RIV) method. The lifetime of this state is an order of magnitude longer than the lifetimes of excited states recently measured by the RIV method in Sn and Te isotopes, requiring a new evaluation of the free-ion hyperfine interactions and methodology used to determine the g factor. In this paper, the calibration data are reported and the analysis procedures are described in detail. The resultant g factor has amore » similar magnitude to the g factors of other nuclei with an equal number of valence protons and neutrons in the major shell. However, an unexpected trend is found in the g factors of the N = 84 isotones, which decrease from 136Te to 144Nd. Finally, shell model calculations with interactions derived from the CD Bonn potential show good agreement with the g factors and E2 transition rates of 2 + states around 132Sn, confirming earlier indications that 132Sn is a good doubly magic core.« less

Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

NASA Technical Reports Server (NTRS)

Lee, Timothy J.; Arnold, James O. (Technical Monitor)

1994-01-01

A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

First-excited state g factor of Te 136 by the recoil in vacuum method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stuchbery, A. E.; Allmond, J. M.; Danchev, M.

The g factor of the first 2 + state of radioactive 136Te with two valence protons and two valence neutrons beyond double-magic 132Sn has been measured by the recoil in vacuum (RIV) method. The lifetime of this state is an order of magnitude longer than the lifetimes of excited states recently measured by the RIV method in Sn and Te isotopes, requiring a new evaluation of the free-ion hyperfine interactions and methodology used to determine the g factor. In this paper, the calibration data are reported and the analysis procedures are described in detail. The resultant g factor has amore » similar magnitude to the g factors of other nuclei with an equal number of valence protons and neutrons in the major shell. However, an unexpected trend is found in the g factors of the N = 84 isotones, which decrease from 136Te to 144Nd. Finally, shell model calculations with interactions derived from the CD Bonn potential show good agreement with the g factors and E2 transition rates of 2 + states around 132Sn, confirming earlier indications that 132Sn is a good doubly magic core.« less

On Closed Shells in Nuclei

DOE R&D Accomplishments Database

Mayer, M. G.

1948-02-01

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

Precision Mass Measurements of Cd-131129 and Their Impact on Stellar Nucleosynthesis via the Rapid Neutron Capture Process

NASA Astrophysics Data System (ADS)

Atanasov, D.; Ascher, P.; Blaum, K.; Cakirli, R. B.; Cocolios, T. E.; George, S.; Goriely, S.; Herfurth, F.; Janka, H.-T.; Just, O.; Kowalska, M.; Kreim, S.; Kisler, D.; Litvinov, Yu. A.; Lunney, D.; Manea, V.; Neidherr, D.; Rosenbusch, M.; Schweikhard, L.; Welker, A.; Wienholtz, F.; Wolf, R. N.; Zuber, K.

2015-12-01

Masses adjacent to the classical waiting-point nuclide 130Cd have been measured by using the Penning-trap spectrometer ISOLTRAP at ISOLDE/CERN. We find a significant deviation of over 400 keV from earlier values evaluated by using nuclear beta-decay data. The new measurements show the reduction of the N =82 shell gap below the doubly magic 132Sn. The nucleosynthesis associated with the ejected wind from type-II supernovae as well as from compact object binary mergers is studied, by using state-of-the-art hydrodynamic simulations. We find a consistent and direct impact of the newly measured masses on the calculated abundances in the A =128 - 132 region and a reduction of the uncertainties from the precision mass input data.

Core excitation effects on oscillator strengths for transitions in four electron atomic systems

NASA Astrophysics Data System (ADS)

Chang, T. N.; Luo, Yuxiang

2007-06-01

By including explicitly the electronic configurations with two and three simultaneously excited electronic orbital, we have extended the BSCI (B-spline based configuration interaction) method [1] to estimate directly the effect of inner shell core excitation to oscillator strengths for transitions in four-electron atomic systems. We will present explicitly the change in oscillator strengths due to core excitations, especially for transitions involving doubly excited states and those with very small oscillator strengths. The length and velocity results are typically in agreement better than 1% or less. [1] Tu-nan Chang, in Many-body Theory of Atomic Structure and Photoionization, edited by T. N. Chang (World Scientific, Singapore, 1993), p. 213-47; and T. N. Chang and T. K. Fang, Elsevier Radiation Physics and Chemistry 70, 173-190 (2004).

One- and two-electron reduced 1,2-diketone ligands in [CrIII(L*)3] (S = 0) and Na2(Et2O)2[VIV(LRed)3] (S = 1/2).

PubMed

Spikes, Geoffrey H; Sproules, Stephen; Bill, Eckhard; Weyhermüller, Thomas; Wieghardt, Karl

2008-12-01

The electronic structures of chromium and vanadium centers coordinated by three reduced 1,2-diketones have been elucidated by using density functional theory (DFT) calculations and a host of physical methods: X-ray crystallography; cyclic voltammetry; ultraviolet-visible (UV-vis), nuclear magnetic resonance (NMR), and electron paramagnetic resonance (EPR) spectroscopy; and magnetic susceptibility measurements. The metal center in octahedral [CrIII(L*)3]0 (1), a CrIII (d3) ion is coupled antiferromagnetically to three monoanionic ligand pi-radicals affording an S ) 0 ground state. In contrast, Na2(Et2O)2[VIV(LRed)3] (2) (S ) 1/2), possesses a central VIV (d1) ion O,OE-coordinated to three closed-shell, doubly reduced ligands which in turn are coordinated by two Na cations enforcing a trigonal prismatic geometry at the vanadium center. 2 can be oxidized electrochemically by one and two electrons generating a monoanion, [V(L)3]1-, and a neutral species, [V(L)3]0, respectively. DFT calculations atthe B3LYP level show that the one-electron oxidized product contains an octahedral VIV ion coupled antiferromagnetically to one monoanionic ligand pi-radical [VIV(L*)(LRed)2]1- (S ) 0). In contrast, the two-electron oxidized product contains a VIII ion coupled antiferromagnetically to three ligand pi-radicals in an octahedral field[VIII(L*)3]0 (S ) 1/2).

Doubly anharmonic oscillator under the topological effects of a screw dislocation

NASA Astrophysics Data System (ADS)

Bakke, Knut

2018-05-01

We consider an elastic medium with the distortion of a circular curve into a vertical spiral, and investigate the influence of this topological defect on the doubly anharmonic oscillator. We show that the Schrödinger equation for the doubly anharmonic oscillator in the presence of this linear topological defect can be solved analytically. We also obtain the exact expressions for the permitted energies of the ground state of the doubly anharmonic oscillator, and show that the topology of the screw dislocation modifies the spectrum of energy of the doubly anharmonic oscillator.

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. Copyright © 2012 Elsevier Ltd. All rights reserved.

The generator coordinate Dirac-Fock method for open-shell atomic systems

NASA Astrophysics Data System (ADS)

Malli, Gulzari L.; Ishikawa, Yasuyuki

1998-11-01

Recently we developed generator coordinate Dirac-Fock and Dirac-Fock-Breit methods for closed-shell systems assuming finite nucleus and have reported Dirac-Fock and Dirac-Fock-Breit energies for the atoms He through Nobelium (Z=102) [see Refs. Reference 10Reference 11Reference 12Reference 13]. In this paper, we generalize our earlier work on closed-shell systems and develop a generator coordinate Dirac-Fock method for open-shell systems. We present results for a number of representative open-shell heavy atoms (with nuclear charge Z>80) including the actinide and superheavy transactinide (with Z>103) atomic systems: Fr (Z=87), Ac (Z=89), and Lr (Z=103) to E113 (eka-thallium, Z=113). The high accuracy obtained in our open-shell Dirac-Fock calculations is similar to that of our closed-shell calculations, and we attribute it to the fact that the representation of the relativistic dynamics of an electron in a spherical ball finite nucleus near the origin in terms of our universal Gaussian basis set is as accurate as that provided by the numerical finite difference method. The DF SCF energies calculated by Desclaux [At. Data. Nucl. Data Tables 12, 311 (1973)] (apart from a typographic error for Fr pointed out here) are higher than those reported here for atoms of some of the superheavy transactinide elements by as much as 5 hartrees (136 eV). We believe that this is due to the use by Desclaux of much larger atomic masses than the currently accepted values for these elements.

The limits of hamiltonian structures in three-dimensional elasticity, shells, and rods

NASA Astrophysics Data System (ADS)

Ge, Z.; Kruse, H. P.; Marsden, J. E.

1996-01-01

This paper uses Hamiltonian structures to study the problem of the limit of three-dimensional (3D) elastic models to shell and rod models. In the case of shells, we show that the Hamiltonian structure for a three-dimensional elastic body converges, in a sense made precise, to that for a shell model described by a one-director Cosserat surface as the thickness goes to zero. We study limiting procedures that give rise to unconstrained as well as constrained Cosserat director models. The case of a rod is also considered and similar convergence results are established, with the limiting model being a geometrically exact director rod model (in the framework developed by Antman, Simo, and coworkers). The resulting model may or may not have constraints, depending on the nature of the constitutive relations and their behavior under the limiting procedure. The closeness of Hamiltonian structures is measured by the closeness of Poisson brackets on certain classes of functions, as well as the Hamiltonians. This provides one way of justifying the dynamic one-director model for shells. Another way of stating the convergence result is that there is an almost-Poisson embedding from the phase space of the shell to the phase space of the 3D elastic body, which implies that, in the sense of Hamiltonian structures, the dynamics of the elastic body is close to that of the shell. The constitutive equations of the 3D model and their behavior as the thickness tends to zero dictates whether the limiting 2D model is a constrained or an unconstrained director model. We apply our theory in the specific case of a 3D Saint Venant-Kirchhoff material and derive the corresponding limiting shell and rod theories. The limiting shell model is an interesting Kirchhoff-like shell model in which the stored energy function is explicitly derived in terms of the shell curvature. For rods, one gets (with an additional inextensibility constraint) a one-director Kirchhoff elastic rod model, which reduces to the well-known Euler elastica if one adds an additional single constraint that the director lines up with the Frenet frame.

Existence of small loops in a bifurcation diagram near degenerate eigenvalues

NASA Astrophysics Data System (ADS)

Hmidi, Taoufik; Renault, Coralie

2017-10-01

In this paper, we study the global structure of a bifurcation diagram for rotating doubly connected patches near a degenerate case for incompressible Euler equations. We show that branches with the same symmetry merge, forming a small loop, provided that they are close enough. This gives an analytical proof for the numerical observations conducted in the recent work by de la Hoz et al (2016 SIAM J. Math. Anal. 48 1892-928).

Estimation of parameters in Shot-Noise-Driven Doubly Stochastic Poisson processes using the EM algorithm--modeling of pre- and postsynaptic spike trains.

PubMed

Mino, H

2007-01-01

To estimate the parameters, the impulse response (IR) functions of some linear time-invariant systems generating intensity processes, in Shot-Noise-Driven Doubly Stochastic Poisson Process (SND-DSPP) in which multivariate presynaptic spike trains and postsynaptic spike trains can be assumed to be modeled by the SND-DSPPs. An explicit formula for estimating the IR functions from observations of multivariate input processes of the linear systems and the corresponding counting process (output process) is derived utilizing the expectation maximization (EM) algorithm. The validity of the estimation formula was verified through Monte Carlo simulations in which two presynaptic spike trains and one postsynaptic spike train were assumed to be observable. The IR functions estimated on the basis of the proposed identification method were close to the true IR functions. The proposed method will play an important role in identifying the input-output relationship of pre- and postsynaptic neural spike trains in practical situations.

Icosahedral and decagonal quasicrystals of intermetallic compounds are multiple twins of cubic or orthorhombic crystals composed of very large atomic complexes with icosahedral point-group symmetry in cubic close packing or body-centered packing: Structure of decagonal Al6Pd

PubMed Central

Pauling, Linus

1989-01-01

A doubly icosahedral complex involves roughly spherical clusters of atoms with icosahedral point-group symmetry, which are themselves, in parallel orientation, icosahedrally packed. These complexes may form cubic crystallites; three structures of this sort have been identified. Analysis of electron diffraction photographs of the decagonal quasicrystal Al6Pd has led to its description as involving pentagonal twinning of an orthorhombic crystal with a = 51.6 Å, b = 37.6 Å, and c = 33.24 Å, with about 4202 atoms in the unit, comprising two 1980-atom doubly icosahedral complexes, each involving icosahedral packing of 45 44-atom icosahedral complexes (at 0 0 0 and 1/2 1/2 1/2) and 242 interstitial atoms. The complexes and clusters are oriented with one of their fivefold axes in the c-axis direction. Images PMID:16594092

Icosahedral and decagonal quasicrystals of intermetallic compounds are multiple twins of cubic or orthorhombic crystals composed of very large atomic complexes with icosahedral point-group symmetry in cubic close packing or body-centered packing: Structure of decagonal Al(6)Pd.

PubMed

Pauling, L

1989-12-01

A doubly icosahedral complex involves roughly spherical clusters of atoms with icosahedral point-group symmetry, which are themselves, in parallel orientation, icosahedrally packed. These complexes may form cubic crystallites; three structures of this sort have been identified. Analysis of electron diffraction photographs of the decagonal quasicrystal Al(6)Pd has led to its description as involving pentagonal twinning of an orthorhombic crystal with a = 51.6 A, b = 37.6 A, and c = 33.24 A, with about 4202 atoms in the unit, comprising two 1980-atom doubly icosahedral complexes, each involving icosahedral packing of 45 44-atom icosahedral complexes (at 0 0 0 and 1/2 1/2 1/2) and 242 interstitial atoms. The complexes and clusters are oriented with one of their fivefold axes in the c-axis direction.

Robust fractional order sliding mode control of doubly-fed induction generator (DFIG)-based wind turbines.

PubMed

Ebrahimkhani, Sadegh

2016-07-01

Wind power plants have nonlinear dynamics and contain many uncertainties such as unknown nonlinear disturbances and parameter uncertainties. Thus, it is a difficult task to design a robust reliable controller for this system. This paper proposes a novel robust fractional-order sliding mode (FOSM) controller for maximum power point tracking (MPPT) control of doubly fed induction generator (DFIG)-based wind energy conversion system. In order to enhance the robustness of the control system, uncertainties and disturbances are estimated using a fractional order uncertainty estimator. In the proposed method a continuous control strategy is developed to achieve the chattering free fractional order sliding-mode control, and also no knowledge of the uncertainties and disturbances or their bound is assumed. The boundedness and convergence properties of the closed-loop signals are proven using Lyapunov׳s stability theory. Simulation results in the presence of various uncertainties were carried out to evaluate the effectiveness and robustness of the proposed control scheme. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Microwave photon generation in a doubly tunable superconducting resonator

NASA Astrophysics Data System (ADS)

Svensson, I.-M.; Pierre, M.; Simoen, M.; Wustmann, W.; Krantz, P.; Bengtsson, A.; Johansson, G.; Bylander, J.; Shumeiko, V.; Delsing, P.

2018-03-01

We have created a doubly tunable resonator, with the intention to simulate relativistic motion of the resonator boundaries in real space. Our device is a superconducting coplanar-waveguide microwave resonator, with fundamental resonant frequency ω 1 /(2π) ~ 5 GHz. Both of its ends are terminated to ground via dc-SQUIDs, which serve as magnetic-flux-controlled inductances. Applying a flux to either SQUID allows the tuning of ω 1 /(2π) by approximately 700 MHz. Using two separate on-chip magnetic-flux lines, we modulate the SQUIDs with two tones of equal frequency, close to 2ω 1. We observe photon generation, at ω 1, above a certain pump amplitude threshold. By varying the relative phase of the two pumps we are able to control this threshold, in good agreement with a theoretical model. At the same time, some of our observations deviate from the theoretical predictions, which we attribute to parasitic couplings resulting in current driving of the SQUIDs.

Are Pericentric Inversions Reorganizing Wedge Shell Genomes?

PubMed Central

García-Souto, Daniel; Pérez-García, Concepción

2017-01-01

Wedge shells belonging to the Donacidae family are the dominant bivalves in exposed beaches in almost all areas of the world. Typically, two or more sympatric species of wedge shells differentially occupy intertidal, sublittoral, and offshore coastal waters in any given locality. A molecular cytogenetic analysis of two sympatric and closely related wedge shell species, Donax trunculus and Donax vittatus, was performed. Results showed that the karyotypes of these two species were both strikingly different and closely alike; whilst metacentric and submetacentric chromosome pairs were the main components of the karyotype of D. trunculus, 10–11 of the 19 chromosome pairs were telocentric in D. vittatus, most likely as a result of different pericentric inversions. GC-rich heterochromatic bands were present in both species. Furthermore, they showed coincidental 45S ribosomal RNA (rRNA), 5S rRNA and H3 histone gene clusters at conserved chromosomal locations, although D. trunculus had an additional 45S rDNA cluster. Intraspecific pericentric inversions were also detected in both D. trunculus and D. vittatus. The close genetic similarity of these two species together with the high degree of conservation of the 45S rRNA, 5S rRNA and H3 histone gene clusters, and GC-rich heterochromatic bands indicate that pericentric inversions contribute to the karyotype divergence in wedge shells. PMID:29215567

Molecular Electronic Terms and Molecular Orbital Configurations.

ERIC Educational Resources Information Center

Mazo, R. M.

1990-01-01

Discussed are the molecular electronic terms which can arise from a given electronic configuration. Considered are simple cases, molecular states, direct products, closed shells, and open shells. Two examples are provided. (CW)

Production of n-rich Nuclei along the Closed Shell N=126 in the collision 136Xe + 208Pb @E lab =870 MeV

NASA Astrophysics Data System (ADS)

Quero, D.; Vardaci, E.; Kozulin, E. M.; Zagrebaev, V. A.; Corradi, L.; Pulcini, A.; La Rana, G.; Itkis, I. M.; Knyazheva, G. N.; Novikov, K.; Harca, I.; Fioretto, E.; Stefanini, A. M.; Montanari, D.; Montagnoli, G.; Scarlassara, F.; Szilner, S.; Mijatović, T.; Trzaska, W. H.

2018-05-01

Multi-nucleon transfer reactions are nowadays the only known mean to produce neutron-rich nuclei in the Terra Incognita. The closed-shell region N=126 is crucial for both studying shell-quenching in exotic nuclei and the r-process, being its last “waiting-point”. The choice of suitable reactions is challenging and a favorable case is 136Xe+208Pb, near the Coulomb barrier, because their neutron shell-closures play a stabilizing role, favoring the proton-transfer from lead to xenon. TOF-TOF data were analyzed to reconstruct the mass-energy distribution of the primary fragments. Preliminary results of an experiment held at Laboratori Nazionali di Legnaro with PRISMA, aimed at A and Z identification of the products, will be shown.

Experimental verification of Theodorsen's theoretical jet-boundary correction factors

NASA Technical Reports Server (NTRS)

Schliestett, George Van

1934-01-01

Prandtl's suggested use of a doubly infinite arrangement of airfoil images in the theoretical determination of wind-tunnel jet-boundary corrections was first adapted by Glauert to the case of closed rectangular jets. More recently, Theodorsen, using the same image arrangement but a different analytical treatment, has extended this work to include not only closed but also partly closed and open tunnels. This report presents the results of wind-tunnel tests conducted at the Georgia School of Technology for the purpose of verifying the five cases analyzed by Theodorsen. The tests were conducted in a square tunnel and the results constitute a satisfactory verification of his general method of analysis. During the preparation of the data two minor errors were discovered in the theory and these have been rectified.

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory.

PubMed

Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F; Neese, Frank

2017-04-28

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N 6 ) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.

A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory

NASA Astrophysics Data System (ADS)

Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F.; Neese, Frank

2017-04-01

The Coupled-Cluster expansion, truncated after single and double excitations (CCSD), provides accurate and reliable molecular electronic wave functions and energies for many molecular systems around their equilibrium geometries. However, the high computational cost, which is well-known to scale as O(N6) with system size N, has limited its practical application to small systems consisting of not more than approximately 20-30 atoms. To overcome these limitations, low-order scaling approximations to CCSD have been intensively investigated over the past few years. In our previous work, we have shown that by combining the pair natural orbital (PNO) approach and the concept of orbital domains it is possible to achieve fully linear scaling CC implementations (DLPNO-CCSD and DLPNO-CCSD(T)) that recover around 99.9% of the total correlation energy [C. Riplinger et al., J. Chem. Phys. 144, 024109 (2016)]. The production level implementations of the DLPNO-CCSD and DLPNO-CCSD(T) methods were shown to be applicable to realistic systems composed of a few hundred atoms in a routine, black-box fashion on relatively modest hardware. In 2011, a reduced-scaling CCSD approach for high-spin open-shell unrestricted Hartree-Fock reference wave functions was proposed (UHF-LPNO-CCSD) [A. Hansen et al., J. Chem. Phys. 135, 214102 (2011)]. After a few years of experience with this method, a few shortcomings of UHF-LPNO-CCSD were noticed that required a redesign of the method, which is the subject of this paper. To this end, we employ the high-spin open-shell variant of the N-electron valence perturbation theory formalism to define the initial guess wave function, and consequently also the open-shell PNOs. The new PNO ansatz properly converges to the closed-shell limit since all truncations and approximations have been made in strict analogy to the closed-shell case. Furthermore, given the fact that the formalism uses a single set of orbitals, only a single PNO integral transformation is necessary, which offers large computational savings. We show that, with the default PNO truncation parameters, approximately 99.9% of the total CCSD correlation energy is recovered for open-shell species, which is comparable to the performance of the method for closed-shells. UHF-DLPNO-CCSD shows a linear scaling behavior for closed-shell systems, while linear to quadratic scaling is obtained for open-shell systems. The largest systems we have considered contain more than 500 atoms and feature more than 10 000 basis functions with a triple-ζ quality basis set.

Doubly charged Higgsinos at the Tevatron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demir, Durmus A.; Frank, Mariana; Turan, Ismail

2009-05-01

Several supersymmetric models with extended gauge structures, motivated by either grand unification or by neutrino mass generation, predict light doubly charged Higgsinos. In this work we study the signals of doubly charged Higgsinos at the Tevatron in both pair- and single-production modes, and show that it is possible, especially from the events containing same-sign same-flavor isolated leptons, to disentangle the effects of doubly charged Higgsinos in the Tevatron data.

Is {sup 276}U a doubly magic nucleus?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liliani, N., E-mail: netta.liliani@gmail.com; Sulaksono, A.

2016-04-19

We investigate a possible new doubly magic heavy nucleus by using a relativistic mean-field (RMF) model with the addition of a cross interaction term of omega-rho mesons and an electromagnetic exchange term. We propose that {sup 276}U is a doubly magic nucleus. The evidence for {sup 276}U being a doubly magic nucleus is shown through the two-nucleon gaps, the single-particle energies, and the neutron skin thickness of the nucleus. We have also found that the prediction of {sup 276}U as a doubly magic nucleus by the RMF model is not affected by the inclusion of isoscalar-isovector and electromagnetic exchange couplings.

Few-body quark dynamics for doubly heavy baryons and tetraquarks

NASA Astrophysics Data System (ADS)

Richard, Jean-Marc; Valcarce, Alfredo; Vijande, Javier

2018-03-01

We discuss the adequate treatment of the three- and four-body dynamics for the quark model picture of double-charm baryons and tetraquarks. We stress that the variational and Born-Oppenheimer approximations give energies very close to the exact ones, while the diquark approximation might be somewhat misleading. The Hall-Post inequalities also provide very useful lower bounds that exclude the possibility of stable tetraquarks for some mass ratios and some color wave functions.

The formation of the doubly stable stratification in the Mediterranean Outflow

NASA Astrophysics Data System (ADS)

Bormans, M.; Turner, J. S.

1990-11-01

The Mediterranean Outflow as it exits from the Strait of Gibraltar can be seen as a gravity current flowing down the slope and mixing with Atlantic Water until it reaches its own density level. Typical salinity and temperature profiles through the core region of a Meddy show that the bottom of the core is colder and saltier than the top, leading to a stably stratified core with respect to double-diffusive processes. The bottom of the core is also more enriched with Mediterranean Water than the top, and this behaviour can be explained by a reduced mixing of the source water with the environment close to the rigid bottom. Although the mechanism involved is different from the actual case, we have successfully produced these doubly stable gradient in some laboratory experiments which incorporate the "filling-box" mechanism. Salt and sugar were used as laboratory analogues of temperature and salt, respectively. The laboratory experiments consisted of supplying a dense input fluid at the surface of a linearly salt stratified environment. We suggest that req, the ratio of the initial volume flux at the source to the volume flux at the equilibrium level, is an important parameter, and that in our experiments this must be in general smaller than 0.1 in order to produce a doubly stable region of salt and sugar. The most relevant experiments had a mixed sugar/salt input which is the analogue of the Mediterranean Outflow as it mixes with Atlantic Water outside the Strait of Gibraltar.

An efficient parallel algorithm for the calculation of unrestricted canonical MP2 energies.

PubMed

Baker, Jon; Wolinski, Krzysztof

2011-11-30

We present details of our efficient implementation of full accuracy unrestricted open-shell second-order canonical Møller-Plesset (MP2) energies, both serial and parallel. The algorithm is based on our previous restricted closed-shell MP2 code using the Saebo-Almlöf direct integral transformation. Depending on system details, UMP2 energies take from less than 1.5 to about 3.0 times as long as a closed-shell RMP2 energy on a similar system using the same algorithm. Several examples are given including timings for some large stable radicals with 90+ atoms and over 3600 basis functions. Copyright © 2011 Wiley Periodicals, Inc.

Jammed elastic shells - a 3D experimental soft frictionless granular system

NASA Astrophysics Data System (ADS)

Jose, Jissy; Blab, Gerhard A.; van Blaaderen, Alfons; Imhof, Arnout

2015-03-01

We present a new experimental system of monodisperse, soft, frictionless, fluorescent labelled elastic shells for the characterization of structure, universal scaling laws and force networks in 3D jammed matter. The interesting fact about these elastic shells is that they can reversibly deform and therefore serve as sensors of local stress in jammed matter. Similar to other soft particles, like emulsion droplets and bubbles in foam, the shells can be packed to volume fractions close to unity, which allows us to characterize the contact force distribution and universal scaling laws as a function of volume fraction, and to compare them with theoretical predictions and numerical simulations. However, our shells, unlike other soft particles, deform rather differently at large stresses. They deform without conserving their inner volume, by forming dimples at contact regions. At each contact one of the shells buckled with a dimple and the other remained spherical, closely resembling overlapping spheres. We conducted 3D quantitative analysis using confocal microscopy and image analysis routines specially developed for these particles. In addition, we analysed the randomness of the process of dimpling, which was found to be volume fraction dependent.

Nonvolatile memory with Co-SiO2 core-shell nanocrystals as charge storage nodes in floating gate

NASA Astrophysics Data System (ADS)

Liu, Hai; Ferrer, Domingo A.; Ferdousi, Fahmida; Banerjee, Sanjay K.

2009-11-01

In this letter, we reported nanocrystal floating gate memory with Co-SiO2 core-shell nanocrystal charge storage nodes. By using a water-in-oil microemulsion scheme, Co-SiO2 core-shell nanocrystals were synthesized and closely packed to achieve high density matrix in the floating gate without aggregation. The insulator shell also can help to increase the thermal stability of the nanocrystal metal core during the fabrication process to improve memory performance.

Discovery potentials of doubly charmed baryons

NASA Astrophysics Data System (ADS)

Yu, Fu-Sheng; Jiang, Hua-Yu; Li, Run-Hui; Lü, Cai-Dian; Wang, Wei; Zhao, Zhen-Xing

2018-05-01

The existence of doubly heavy flavor baryons has not been well established experimentally so far. In this Letter we systematically investigate the weak decays of the doubly charmed baryons, {{{\\Xi }}}{{cc}}++ and {{{\\Xi }}}{{cc}}+, which should be helpful for experimental searches for these particles. The long-distance contributions are first studied in the doubly heavy baryon decays, and found to be significantly enhanced. Comparing all the processes, {{{\\Xi }}}{{cc}}++\\to {{{Λ }}}{{c}}+{{{K}}}-{{{π }}}+{{{π }}}+ and {{{\\Xi }}}{{c}}+{{{π }}}+ are the most favorable decay modes for experiments to search for doubly heavy baryons. Supported by National Natural Science Foundation of China (11505083, 11505098, 11647310, 11575110, 11375208, 11521505, 11621131001, 11235005, 11447032, U1732101) and Natural Science Foundation of Shanghai (15DZ2272100)

Gender-Associated Mitochondrial DNA Heteroplasmy in Somatic Tissues of the Endangered Freshwater Mussel Unio crassus (Bivalvia: Unionidae): Implications for Sex Identification and Phylogeographical Studies.

PubMed

Mioduchowska, Monika; Kaczmarczyk, Agnieszka; Zając, Katarzyna; Zając, Tadeusz; Sell, Jerzy

2016-11-01

Some bivalve species possess two independent mitochondrial DNA lineages: maternally (F-type) and paternally (M-type) inherited. This phenomenon is called doubly uniparental inheritance. It is generally agreed that F-type mtDNA is typically present in female somatic and gonadal tissues as well as in male somatic tissues, whereas the M-type mtDNA occurs only in male germ line and gonadal tissue. In the present study, the mtDNA heteroplasmy (for both F and M genomes) in male somatic tissues of Unio crassus (Philipsson, 1788), species threatened with extinction, has been confirmed. Taking advantage from the presence of Mcox1 marker only in male somatic tissues, we developed a new method of sex identification in this endangered species, using nondestructive tissue sampling. Probability of correct sex identification was estimated at 97.5%. The present study is the first report on gender-associated mitochondrial DNA heteroplasmy in male somatic tissues of thick-shelled river mussel and first approach to U. crassus sex identification at molecular level. Our study also confirmed the utility of paternally inherited Mcox1 gene fragment as a complementary molecular tool for resolving phylogeographical relationships among populations of thick-shelled river mussel. © 2017 Wiley Periodicals, Inc.

Isomers and shell evolution in neutron-rich nuclei below the doubly magic nucleus 132Sn

NASA Astrophysics Data System (ADS)

Watanabe, Hiroshi

2018-05-01

The level structures of the very neutron-rich nuclei 128Pd82 and 126Pd80 have been investigated for the first time. A new isomer with a half-life of 5.8(8) μs in 128Pd is proposed to have a spin and parity of 8+ and is associated with a maximally aligned configuration arising from the g9/2Pd proton subshell with seniority υ = 2. The level sequence below the 8+ isomer is similar to that in the N = 82 isotone 130Cd, but the electric quadrupole transition that depopulates the 8+ isomer is more hindered in 128Pd than in 130Cd, as expected in the seniority scheme for a semi-magic, spherical nucleus. For 126Pd, three new isomers with Jπ = (5-), (7-), and (10+) have been identified with half-lives of 0.33(4) μs, 0.44(3) μs, and 23.0(8) ms, respectively. The smaller energy difference between the 10+ and 7- isomers in 126Pd than in the heavier N = 80 isotones can be interpreted as being ascribed to the monopole shift of the h11/2 neutron orbit. The nature of the N = 82 shell closure scrutinized with these characteristic isomers is discussed.

Solvation of carbonaceous molecules by para-H2 and ortho-D2 clusters. II. Fullerenes.

PubMed

Calvo, F; Yurtsever, E

2016-08-28

The coating of various fullerenes by para-hydrogen and ortho-deuterium molecules has been computationally studied as a function of the solvent amount. Rotationally averaged interaction potentials for structureless hydrogen molecules are employed to model their interaction with neutral or charged carbonaceous dopants containing between 20 and 240 atoms, occasionally comparing different fullerenes having the same size but different shapes. The solvation energy and the size of the first solvation shell obtained from path-integral molecular dynamics simulations at 2 K show only minor influence on the dopant charge and on the possible deuteration of the solvent, although the shell size is largest for ortho-D2 coating cationic fullerenes. Nontrivial finite size effects have been found with the shell size varying non-monotonically close to its completion limit. For fullerenes embedded in large hydrogen clusters, the shell size and solvation energy both follow linear scaling with the fullerene size. The shell sizes obtained for C60 (+) and C70 (+) are close to 49 and 51, respectively, and agree with mass spectrometry experiments.

Solvation of carbonaceous molecules by para-H2 and ortho-D2 clusters. II. Fullerenes

NASA Astrophysics Data System (ADS)

Calvo, F.; Yurtsever, E.

2016-08-01

The coating of various fullerenes by para-hydrogen and ortho-deuterium molecules has been computationally studied as a function of the solvent amount. Rotationally averaged interaction potentials for structureless hydrogen molecules are employed to model their interaction with neutral or charged carbonaceous dopants containing between 20 and 240 atoms, occasionally comparing different fullerenes having the same size but different shapes. The solvation energy and the size of the first solvation shell obtained from path-integral molecular dynamics simulations at 2 K show only minor influence on the dopant charge and on the possible deuteration of the solvent, although the shell size is largest for ortho-D2 coating cationic fullerenes. Nontrivial finite size effects have been found with the shell size varying non-monotonically close to its completion limit. For fullerenes embedded in large hydrogen clusters, the shell size and solvation energy both follow linear scaling with the fullerene size. The shell sizes obtained for C 60+ and C 70+ are close to 49 and 51, respectively, and agree with mass spectrometry experiments.

Synthesis of fullerene@gold core-shell nanostructures.

PubMed

Ren, Yupeng; Paira, Priyankar; Nayak, Tapas Ranjan; Ang, Wee Han; Pastorin, Giorgia

2011-07-21

A "direct encapsulation" method was developed for the synthesis of highly stable water-soluble fullerene@gold core-shell nanostructures, with gold nanoshells showing either closed or porous morphology. This gold nano-shell coating formed a "nano-oven", capable of decomposing encapsulated fullerene molecules rapidly when irradiated by laser. We envisaged this being a useful tool for chemical reactions as well as a novel scaffold for nano-material synthesis.

The Oscillations of Coronal Loops Including the Shell

NASA Astrophysics Data System (ADS)

Mikhalyaev, B. B.; Solov'ev, A. A.

2005-04-01

We investigate the MHD waves in a double magnetic flux tube embedded in a uniform external magnetic field. The tube consists of a dense hot cylindrical cord surrounded by a co-axial shell. The plasma and the magnetic field are taken to be uniform inside the cord and also inside the shell. Two slow and two fast magnetosonic modes can exist in the thin double tube. The first slow mode is trapped by the cord, the other is trapped by the shell. The oscillations of the second mode have opposite phases inside the cord and shell. The speeds of the slow modes propagating along the tube are close to the tube speeds inside the cord and the shell. The behavior of the fast modes depends on the magnitude of Alfvén speed inside the shell. If it is less than the Alfvén speed inside the cord and in the environment, then the fast mode is trapped by the shell and the other may be trapped under the certain conditions. In the opposite case when the Alfvén speed in the shell is greater than those inside the cord and in the environment, then the fast mode is radiated by the tube and the other may also be radiated under certain conditions. The oscillation of the cord and the shell with opposite phases is the distinctive feature of the process. The proposed model allows to explain the basic phenomena connected to the coronal oscillations: i) the damping of oscillations stipulated in the double tube model by the radiative loss, ii) the presence of two different modes of perturbations propagating along the loop with close speeds, iii) the opposite phases of oscillations of modulated radio emission, coming from the near coronal sources having sharply different densities.

A coupled-cluster study of photodetachment cross sections of closed-shell anions

NASA Astrophysics Data System (ADS)

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-01

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H-, Li-, Na-, F-, Cl-, and OH-. The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

A coupled-cluster study of photodetachment cross sections of closed-shell anions.

PubMed

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-07

We investigate the performance of Stieltjes Imaging applied to Lanczos pseudo-spectra generated at the coupled cluster singles and doubles, coupled cluster singles and approximate iterative doubles and coupled cluster singles levels of theory in modeling the photodetachment cross sections of the closed shell anions H(-), Li(-), Na(-), F(-), Cl(-), and OH(-). The accurate description of double excitations is found to play a much more important role than in the case of photoionization of neutral species.

Closed solutions of singular equations of thermoelasticity of compositions of shells of revolution smoothly connected with each other

NASA Astrophysics Data System (ADS)

Belostochny, Grigory; Myltcina, Olga

2018-05-01

The paper deals with the main positions of strict continuum model of compositions of shells of revolution smoothly connected with each other. Solutions of singular equations of the membrane conduct thermoelasticity for different species of compositions obtained in a closed form. The ability to eliminate discontinuities of the first kind of one of the tangential force on the lines of the distortion has been proved by using the additional local force impact or temperature.

Data-Adaptive Bias-Reduced Doubly Robust Estimation.

PubMed

Vermeulen, Karel; Vansteelandt, Stijn

2016-05-01

Doubly robust estimators have now been proposed for a variety of target parameters in the causal inference and missing data literature. These consistently estimate the parameter of interest under a semiparametric model when one of two nuisance working models is correctly specified, regardless of which. The recently proposed bias-reduced doubly robust estimation procedure aims to partially retain this robustness in more realistic settings where both working models are misspecified. These so-called bias-reduced doubly robust estimators make use of special (finite-dimensional) nuisance parameter estimators that are designed to locally minimize the squared asymptotic bias of the doubly robust estimator in certain directions of these finite-dimensional nuisance parameters under misspecification of both parametric working models. In this article, we extend this idea to incorporate the use of data-adaptive estimators (infinite-dimensional nuisance parameters), by exploiting the bias reduction estimation principle in the direction of only one nuisance parameter. We additionally provide an asymptotic linearity theorem which gives the influence function of the proposed doubly robust estimator under correct specification of a parametric nuisance working model for the missingness mechanism/propensity score but a possibly misspecified (finite- or infinite-dimensional) outcome working model. Simulation studies confirm the desirable finite-sample performance of the proposed estimators relative to a variety of other doubly robust estimators.

A new LiNbO{sub 3}-type polar oxide with closed-shell cations: ZnPbO{sub 3}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Runze, E-mail: yu.r.aa@m.titech.ac.jp, E-mail: mazuma@msl.titech.ac.jp; Hojo, Hajime; Azuma, Masaki, E-mail: yu.r.aa@m.titech.ac.jp, E-mail: mazuma@msl.titech.ac.jp

2015-09-07

A new lithium-niobate (LiNbO{sub 3})-type polar compound, namely, ZnPbO{sub 3} (a = 5.41605(7) Å and c = 14.33151(3) Å), with closed-shell ions only was synthesized under high pressure and high temperature (8 GPa and 1273 K). A point-charge-model calculation based on atomic positions refined by Rietveld analysis of synchrotron X-ray diffraction data gave an electrical ionic polarization of 77 μC/cm{sup 2} along the hexagonal c-axis. Detailed structural analysis indicated that the contribution of Pb{sup 4+} in ZnPbO{sub 3} to the polarization was almost twice as large as that of Sn{sup 4+} in ZnSnO{sub 3}. Transport measurement showed metallic behavior of ZnPbO{sub 3} from room temperature to lowmore » temperature despite the fact that both cations are closed-shell ions.« less

Switchable Opening and Closing of a Liquid Marble via Ultrasonic Levitation.

PubMed

Zang, Duyang; Li, Jun; Chen, Zhen; Zhai, Zhicong; Geng, Xingguo; Binks, Bernard P

2015-10-27

Liquid marbles have promising applications in the field of microreactors, where the opening and closing of their surfaces plays a central role. We have levitated liquid water marbles using an acoustic levitator and, thereby, achieved the manipulation of the particle shell in a controlled manner. Upon increasing the sound intensity, the stable levitated liquid marble changes from a quasi-sphere to a flattened ellipsoid. Interestingly, a cavity on the particle shell can be produced on the polar areas, which can be completely healed when decreasing the sound intensity, allowing it to serve as a microreactor. The integral of the acoustic radiation pressure on the part of the particle surface protruding into air is responsible for particle migration from the center of the liquid marble to the edge. Our results demonstrate that the opening and closing of the liquid marble particle shell can be conveniently achieved via acoustic levitation, opening up a new possibility to manipulate liquid marbles coated with non-ferromagnetic particles.

Monopole-driven shell evolution below the doubly magic nucleus 132Sn explored with the long-lived isomer in 126Pd.

PubMed

Watanabe, H; Lorusso, G; Nishimura, S; Otsuka, T; Ogawa, K; Xu, Z Y; Sumikama, T; Söderström, P-A; Doornenbal, P; Li, Z; Browne, F; Gey, G; Jung, H S; Taprogge, J; Vajta, Zs; Wu, J; Yagi, A; Baba, H; Benzoni, G; Chae, K Y; Crespi, F C L; Fukuda, N; Gernhäuser, R; Inabe, N; Isobe, T; Jungclaus, A; Kameda, D; Kim, G D; Kim, Y K; Kojouharov, I; Kondev, F G; Kubo, T; Kurz, N; Kwon, Y K; Lane, G J; Moon, C-B; Montaner-Pizá, A; Moschner, K; Naqvi, F; Niikura, M; Nishibata, H; Nishimura, D; Odahara, A; Orlandi, R; Patel, Z; Podolyák, Zs; Sakurai, H; Schaffner, H; Simpson, G S; Steiger, K; Suzuki, H; Takeda, H; Wendt, A; Yoshinaga, K

2014-07-25

A new isomer with a half-life of 23.0(8) ms has been identified at 2406 keV in (126)Pd and is proposed to have a spin and parity of 10(+) with a maximally aligned configuration comprising two neutron holes in the 1h(11/2) orbit. In addition to an internal-decay branch through a hindered electric octupole transition, β decay from the long-lived isomer was observed to populate excited states at high spins in (126)Ag. The smaller energy difference between the 10(+) and 7(-) isomers in (126)Pd than in the heavier N=80 isotones can be interpreted as being ascribed to the monopole shift of the 1h(11/2) neutron orbit. The effects of the monopole interaction on the evolution of single-neutron energies below (132)Sn are discussed in terms of the central and tensor forces.

Electrostatic actuation and electromechanical switching behavior of one-dimensional nanostructures.

PubMed

Subramanian, Arunkumar; Alt, Andreas R; Dong, Lixin; Kratochvil, Bradley E; Bolognesi, Colombo R; Nelson, Bradley J

2009-10-27

We report on the electromechanical actuation and switching performance of nanoconstructs involving doubly clamped, individual multiwalled carbon nanotubes. Batch-fabricated, three-state switches with low ON-state voltages (6.7 V average) are demonstrated. A nanoassembly architecture that permits individual probing of one device at a time without crosstalk from other nanotubes, which are originally assembled in parallel, is presented. Experimental investigations into device performance metrics such as hysteresis, repeatability and failure modes are presented. Furthermore, current-driven shell etching is demonstrated as a tool to tune the nanomechanical clamping configuration, stiffness, and actuation voltage of fabricated devices. Computational models, which take into account the nonlinearities induced by stress-stiffening of 1-D nanowires at large deformations, are presented. Apart from providing accurate estimates of device performance, these models provide new insights into the extension of stable travel range in electrostatically actuated nanowire-based constructs as compared to their microscale counterparts.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watanabe, H.; Zhang, G. X.; Yoshida, K.

The level structure of 172Dy has been investigated for the first time by means of decay spectroscopy following in-flight fission of a 238U beam. A long-lived isomeric state with T1/2 = 0.71(5) s and Kπ = 8- has been identified at 1278 keV, which decays to the ground-state and γ -vibrational bands through hindered electromagnetic transitions, as well as to the daughter nucleus 172Ho via allowed β decays. The robust nature of the Kπ = 8- isomer and the ground-state rotational band reveals an axially-symmetric structure for this nucleus. Meanwhile, the γ -vibrational levels have been identified at unusually lowmore » excitation energy compared to the neighboring well-deformed nuclei, indicating the significance of the microscopic effect on the non-axial collectivity in this doubly mid-shell region. The underlying mechanism of enhanced γ vibration is discussed in comparison with the deformed Quasiparticle Random-Phase Approximation based on a Skyrme energy-density functional.« less

Prospects of type-II seesaw models at future colliders in light of the DAMPE e+e- excess

NASA Astrophysics Data System (ADS)

Sui, Yicong; Zhang, Yongchao

2018-05-01

The DAMPE e+e- excess at around 1.4 TeV could be explained in the type-II seesaw model with a scalar dark mater D which is stabilized by a discrete Z2 symmetry. The simplest scenario is the annihilation D D →H++H- followed by the subsequent decay H±±→e±e±, with both the DM and triplet scalars roughly 3 TeV with a small mass splitting. In addition to the Drell-Yan process at future 100 TeV hadron colliders, the doubly charged components could also be produced at lepton colliders like ILC and CLIC in the off shell mode and mediate lepton flavor violating processes e+e-→ℓi±ℓj∓ (with i ≠j ). A wide range of parameter space of the type-II seesaw could be probed, which are well below the current stringent lepton flavor constraints.

Nonrelativistic quantum theory of the contact inelastic scattering of an x-ray photon by an atom

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hopersky, Alexey N.; Nadolinsky, Alexey M.

The nonrelativistic analytical structure of the doubly differential cross section of the contact inelastic scattering of an x-ray photon by a free atom is determined by means of the irreducible tensor operator theory outside the frame of the impulse approximation. For the neon atom in the vicinity of the 1s shell ionization threshold our theory predicts the existence of the distinct fine structure of the cross section caused by transitions of the atomic core electrons into the excited discrete spectrum states. The results of our calculations with inclusion of the effects of radial relaxation, inelastic scattering through the intermediate states,more » and elastic Rayleigh scattering, are predictions, while at the 22 keV incident photons they compare well with the synchrotron experiment by Jung et al. [Phys. Rev. Lett. 81, 1596 (1998)].« less

TURTLE IN SPACE DESCRIBES NEW HUBBLE IMAGE

NASA Technical Reports Server (NTRS)

2002-01-01

NASA's Hubble Space Telescope has shown us that the shrouds of gas surrounding dying, sunlike stars (called planetary nebulae) come in a variety of strange shapes, from an 'hourglass' to a 'butterfly' to a 'stingray.' With this image of NGC 6210, the Hubble telescope has added another bizarre form to the rogues' gallery of planetary nebulae: a turtle swallowing a seashell. Giving this dying star such a weird name is less of a challenge than trying to figure out how dying stars create these unusual shapes. The larger image shows the entire nebula; the inset picture captures the complicated structure surrounding the dying star. The remarkable features of this nebula are the numerous holes in the inner shells with jets of material streaming from them. These jets produce column-shaped features that are mirrored in the opposite direction. The multiple shells of material ejected by the dying star give this planetary nebula its odd form. In the 'full nebula' image, the brighter central region looks like a 'nautilus shell'; the fainter outer structure (colored red) a 'tortoise.' The dying star is the white dot in the center. Both pictures are composite images based on observations taken Aug. 6, 1997 with the telescope's Wide Field and Planetary Camera 2. Material flung off by this central star is streaming out of holes it punched in the nautilus shell. At least four jets of material can be seen in the 'full nebula' image: a pair near 6 and 12 o'clock and another near 2 and 8 o'clock. In each pair, the jets are directly opposite each other, exemplifying their 'bipolar' nature. The jets are thought to be driven by a 'fast wind' - material propelled by radiation from the hot central star. In the inner 'nautilus' shell, bright rims outline the escape holes created by this 'wind,' such as the one at 2 o'clock. This same 'wind' appears to give rise to the prominent outer jet in the same direction. The hole in the inner shell acts like a hose nozzle, directing the flow of material. Although the central star is visible in both pictures, it is more prominent on the inset image. Another clear feature on the inset image is a very interesting red, arrowhead-shaped protrusion emanating from a hole (seen nearly edge-on) at 4 o'clock. On the main image, the 'arrowhead' is colored a subtle magenta. The 'arrowhead' appears to be driving an outward swelling of material at the 4 o'clock border. This too appears to have a counterpart in the opposite direction. Some evidence is visible at the 10 o'clock position (inset). These features suggest a more recent shaping of the nebula by the fast stellar wind, because the material does not appear to be as far away from the central star as the outlying jets. The column at 6 o'clock in the main image, which appears to be a series of vertebrae-shaped structures, suggests that the jets occur episodically. The broadest, most prominent of these are near the bottom and are curved upward, facing the central star. This column seems well aligned with the opening in the bottom of the nautilus shell seen in both the main and inset images. The main picture is a composite of images taken with three filters which are used to make a representative picture of the true colors of the object. Red represents hydrogen, which constitutes most of the nebula; blue, oxygen that is singly ionized; and green, oxygen at even higher ionization (doubly ionized). The ionization, in this case, is caused by ultraviolet light from the dying star stripping electrons from atoms. The inset picture is a composite of the inner nautilus shell generated by combining the Hubble telescope images in a different way. This picture enhances some of the inner structure that is not as clear in the main photo due to color blending. The inset is a two-color composite with red and green now depicting the radiation from singly ionized and doubly ionized oxygen, respectively. (This combination is useful for separating the less highly ionized gas from more highly ionized gas.) NGC 6210 is about 6,600 light-years away in the constellation Hercules. The nebula measures 1.6 light-years from the very top of the turtle-shaped form to the tip of the bottom. The inner nautilus shell is about 0.5 light-years in diameter. Credits: Robert Rubin and Christopher Ortiz (NASA Ames Research Center), Patrick Harrington and Nancy Jo Lame (University of Maryland), Reginald Dufour (Rice University), and NASA

Localized surface plasmon mediated energy transfer in the vicinity of core-shell nanoparticle

NASA Astrophysics Data System (ADS)

Shishodia, Manmohan Singh; Juneja, Soniya

2016-05-01

Multipole spectral expansion based theory of energy transfer interactions between a donor and an acceptor molecule in the vicinity of a core-shell (nanoshell or core@shell) based plasmonic nanostructure is developed. In view of the diverse applications and rich plasmonic features such as tuning capability of surface plasmon (SP) frequencies, greater sensitivity to the change of dielectric environment, controllable redirection of electromagnetic radiation, closed form expressions for Energy Transfer Rate Enhancement Factor (ETREF) near core-shell particle are reported. The dependence of ETREF on different parameters is established through fitting equations, perceived to be of key importance for developing appropriate designs. The theoretical approach developed in the present work is capable of treating higher order multipoles, which, in turn, are also shown to play a crucial role in the present context. Moreover, closed form expressions derived in the present work can directly be used as formula, e.g., for designing SP based biosensors and estimating energy exchange between proteins and excitonic interactions in quantum dots.

Shape coexistence from lifetime and branching-ratio measurements in 68,70Ni

DOE PAGES

Crider, B. P.; Prokop, C. J.; Liddick, S. N.; ...

2016-10-15

Shape coexistence near closed-shell nuclei, whereby states associated with deformed shapes appear at relatively low excitation energy alongside spherical ones, is indicative of the rapid change in structure that can occur with the addition or removal of a few protons or neutrons. Near 68Ni (Z=28, N=40), the identification of shape coexistence hinges on hitherto undetermined transition rates to and from low-energy 0 + states. In 68,70Ni, new lifetimes and branching ratios have been measured. These data enable quantitative descriptions of the 0 + states through the deduced transition rates and serve as sensitive probes for characterizing their nuclear wave functions.more » The results are compared to, and consistent with, large-scale shell-model calculations which predict shape coexistence. With the firm identification of this phenomenon near 68Ni, shape coexistence is now observed in all currently accessible regions of the nuclear chart with closed proton shells and mid-shell neutrons.« less

A mapping from the unitary to doubly stochastic matrices and symbols on a finite set

NASA Astrophysics Data System (ADS)

Karabegov, Alexander V.

2008-11-01

We prove that the mapping from the unitary to doubly stochastic matrices that maps a unitary matrix (ukl) to the doubly stochastic matrix (|ukl|2) is a submersion at a generic unitary matrix. The proof uses the framework of operator symbols on a finite set.

Implications of heavy quark-diquark symmetry for excited doubly heavy baryons and tetraquarks

NASA Astrophysics Data System (ADS)

Mehen, Thomas

2017-11-01

We give heavy quark-diquark symmetry predictions for doubly heavy baryons and tetraquarks in light of the recent discovery of the Ξcc ++ by LHCb. For five excited doubly charm baryons that are predicted to lie below the ΛcD threshold, we give predictions for their electromagnetic and strong decays using a previously developed chiral Lagrangian with heavy quark-diquark symmetry. Based on the mass of the Ξcc ++, the existence of a doubly heavy bottom I =0 tetraquark that is stable to strong and electromagnetic decays has been predicted. If the mass of this state is below 10405 MeV, as predicted in some models, we argue using heavy quark-diquark symmetry that the JP=1+ I =1 doubly bottom tetraquark state will lie just below the open bottom threshold and likely be a narrow state as well. In this scenario, we compute strong decay width for this state using a new Lagrangian for doubly heavy tetraquarks which is related to the singly heavy baryon Lagrangian by heavy quark-diquark symmetry.

A Langevin dynamics simulation study of the tribology of polymer loop brushes.

PubMed

Yin, Fang; Bedrov, Dmitry; Smith, Grant D; Kilbey, S Michael

2007-08-28

The tribology of surfaces modified with doubly bound polymer chains (loops) has been investigated in good solvent conditions using Langevin dynamics simulations. The density profiles, brush interpenetration, chain inclination, normal forces, and shear forces for two flat substrates modified by doubly bound bead-necklace polymers and equivalent singly bound polymers (twice as many polymer chains of 12 the molecular weight of the loop chains) were determined and compared as a function of surface separation, grafting density, and shear velocity. The doubly bound polymer layers showed less interpenetration with decreasing separation than the equivalent singly bound layers. Surprisingly, this difference in interpenetration between doubly bound polymer and singly bound polymer did not result in decreased friction at high shear velocity possibly due to the decreased ability of the doubly bound chains to deform in response to the applied shear. However, at lower shear velocity, where deformation of the chains in the flow direction is less pronounced and the difference in interpenetration is greater between the doubly bound and singly bound chains, some reduction in friction was observed.

Strain distribution of confined Ge/GeO2 core/shell nanoparticles engineered by growth environments

NASA Astrophysics Data System (ADS)

Wei, Wenyan; Yuan, Cailei; Luo, Xingfang; Yu, Ting; Wang, Gongping

2016-02-01

The strain distributions of Ge/GeO2 core/shell nanoparticles confined in different host matrix grown by surface oxidation are investigated. The simulated results by finite element method demonstrated that the strains of the Ge core and the GeO2 shell strongly depend on the growth environments of the nanoparticles. Moreover, it can be found that there is a transformation of the strain on Ge core from tensile to compressive strain during the growth of Ge/GeO2 core/shell nanoparticles. And, the transformation of the strain is closely related with the Young's modulus of surrounding materials of Ge/GeO2 core/shell nanoparticles.

Highly conducting and crystalline doubly doped tin oxide films fabricated using a low-cost and simplified spray technique

NASA Astrophysics Data System (ADS)

Ravichandran, K.; Muruganantham, G.; Sakthivel, B.

2009-11-01

Doubly doped (simultaneous doping of antimony and fluorine) tin oxide films (SnO 2:Sb:F) have been fabricated by employing an inexpensive and simplified spray technique using perfume atomizer from aqueous solution of SnCl 2 precursor. The structural studies revealed that the films are highly crystalline in nature with preferential orientation along the (2 0 0) plane. It is found that the size of the crystallites of the doubly doped tin oxide films is larger (69 nm) than that (27 nm) of their undoped counterparts. The dislocation density of the doubly doped film is lesser (2.08×10 14 lines/m 2) when compared with that of the undoped film (13.2×10 14 lines/m 2), indicating the higher degree of crystallinity of the doubly doped films. The SEM images depict that the films are homogeneous and uniform. The optical transmittance in the visible range and the optical band gap of the doubly doped films are 71% and 3.56 eV respectively. The sheet resistance (4.13 Ω/□) attained for the doubly doped film in this study is lower than the values reported for spray deposited fluorine or antimony doped tin oxide films prepared from aqueous solution of SnCl 2 precursor (without using methanol or ethanol).

Vertical Electron Detachment Energies for Octahedral Closed-Shell Multiply Charged Anions

DTIC Science & Technology

1994-04-22

however, at low theoretical levels, motivating us to extend the investigations to: a) higher levels of theory, b) analogous closed-shell singly- and...hundredths of an eV. This further supports our choice of SBKJ+diff as the basis set for the production runs. The SCF relaxation energies for F- and Cl...intensities for the product molecules ML 5(’)" (D3h) and ML 4 (n-2 )" 15 (Td) were determined at the SCF/SBKJ level and are reported in Table V

Mass spectrometric identification of Au68(SR)34 molecular gold nanoclusters with 34-electron shell closing.

PubMed

Dass, Amala

2009-08-26

The molecular formula Au(68)(SCH(2)CH(2)Ph)(34) has been assigned to the 14 kDa nanocluster using MALDI-TOF mass spectrometry. The 34-electron shell closing in a macroscopically obtained thiolated gold nanocluster is demonstrated. The Au(68) nanocluster is predicted to have a 49 atom Marks decahedral core with 19 inner core atoms and 30 outer atoms chelating with the staple motifs. The nanoclusters' predicted formulation is [Au](19+30) [Au(SR)(2)](11) [Au(2)(SR)(3)](4).

A Newborn Asteroid Family of Likely Rotational Origin Harboring a Doubly-Synchronous Binary

NASA Astrophysics Data System (ADS)

Drahus, Michal; Waniak, Waclaw

2016-10-01

From the total number of about twenty active asteroids identified to date, one of the most intriguing is P/2012 F5. The 2-km sized object has a short rotation period of 3.24 hr - the shortest known among main-belt active asteroids and comets - and is trailed by several fragments recently separated from the main nucleus (Drahus et al. 2015, ApJL 802, L8). Our extensive observations with Hubble in late 2015 and early 2016 have revealed that the fragments are real and stable "baby asteroids", still cocooned in their birth dust trail. Consequently, P/2012 F5 is the first known asteroid family forming in the present-day epoch. Given the rapid spin of the main nucleus, the system is also the best candidate for the first "rotational" asteroid family originating from rotational fission (as opposed to the long-known "collisional" families), extending the recently identified class of asteroid pairs (Pravec et al. 2010, Nature 466, 1085). Furthermore, the HST data allowed us to measure a light curve of the brightest fragment of P/2012 F5, several magnitudes fainter than the main nucleus. The light curve has all the characteristics of a close binary with significantly elongated, roughly equal sized components, having equal rotation and orbital periods of about 9 hr. The existence of a doubly-synchronous binary in an ultra-young asteroid family is seemingly inconsistent with the established "slow" binary formation path, in which YORP torques first lead to rotational fission and then tides lead to synchronization (Jacobson & Scheeres 2011, Icarus 214, 161). Instead, we believe that the object fissioned while orbiting the main nucleus and drawing its angular momentum, and was subsequently ejected from the system as a finished doubly-synchronous binary. This scenario is consistent with computer simulations in that the timescales for secondary fission and ejection from the system are indeed very short (Jacobson & Scheeres 2011, Icarus 214, 161). But the empirical evidence that fissioned secondaries can escape as doubly-synchronous binaries came as a surprise, so we seem to have accidentally identified a new, "rapid" formation path of such systems, not yet accounted for by the prevailing theory.

Improved Doubly Robust Estimation when Data are Monotonely Coarsened, with Application to Longitudinal Studies with Dropout

PubMed Central

Tsiatis, Anastasios A.; Davidian, Marie; Cao, Weihua

2010-01-01

Summary A routine challenge is that of making inference on parameters in a statistical model of interest from longitudinal data subject to drop out, which are a special case of the more general setting of monotonely coarsened data. Considerable recent attention has focused on doubly robust estimators, which in this context involve positing models for both the missingness (more generally, coarsening) mechanism and aspects of the distribution of the full data, that have the appealing property of yielding consistent inferences if only one of these models is correctly specified. Doubly robust estimators have been criticized for potentially disastrous performance when both of these models are even only mildly misspecified. We propose a doubly robust estimator applicable in general monotone coarsening problems that achieves comparable or improved performance relative to existing doubly robust methods, which we demonstrate via simulation studies and by application to data from an AIDS clinical trial. PMID:20731640

Statistical mechanics of shell models for two-dimensional turbulence

NASA Astrophysics Data System (ADS)

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

1994-12-01

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

In-medium similarity renormalization group for closed and open-shell nuclei

NASA Astrophysics Data System (ADS)

Hergert, H.

2017-02-01

We present a pedagogical introduction to the in-medium similarity renormalization group (IMSRG) framework for ab initio calculations of nuclei. The IMSRG performs continuous unitary transformations of the nuclear many-body Hamiltonian in second-quantized form, which can be implemented with polynomial computational effort. Through suitably chosen generators, it is possible to extract eigenvalues of the Hamiltonian in a given nucleus, or drive the Hamiltonian matrix in configuration space to specific structures, e.g., band- or block-diagonal form. Exploiting this flexibility, we describe two complementary approaches for the description of closed- and open-shell nuclei: the first is the multireference IMSRG (MR-IMSRG), which is designed for the efficient calculation of nuclear ground-state properties. The second is the derivation of non-empirical valence-space interactions that can be used as input for nuclear shell model (i.e., configuration interaction (CI)) calculations. This IMSRG+shell model approach provides immediate access to excitation spectra, transitions, etc, but is limited in applicability by the factorial cost of the CI calculations. We review applications of the MR-IMSRG and IMSRG+shell model approaches to the calculation of ground-state properties for the oxygen, calcium, and nickel isotopic chains or the spectroscopy of nuclei in the lower sd shell, respectively, and present selected new results, e.g., for the ground- and excited state properties of neon isotopes.

Expanding relativistic shells and gamma-ray burst temporal structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fenimore, E.E.; Madras, C.D.; Nayakshin, S.

1996-12-01

Many models of gamma-ray bursts (GRBs) involve a shell expanding at extreme relativistic speeds. The shell of material expands in a photon-quiet phase for a period {ital t}{sub 0} and then becomes gamma-ray active, perhaps due to inhomogeneities in the interstellar medium or the generation of shocks. Based on kinematics, we relate the envelope of the emission of the event to the characteristics of the photon-quiet and photon-active phases. We initially assume local spherical symmetry wherein, on average, the same conditions prevail over the shell`s surface within angles the order of {Gamma}{sup {minus}1}, where {Gamma} is the Lorentz factor formore » the bulk motion. The contribution of the curvature to the temporal structure is comparable to the contribution from the overall expansion. As a result, GRB time histories from a shell should have an envelope similar to {open_quotes}FRED{close_quotes} (fast rise, exponential decay) events in which the rise time is related to the duration of the photon-active phase and the fall time is related to the duration of the photon-quiet phase. This result depends only on local spherical symmetry and, since most GRBs do not have such envelopes, we introduce the {open_quotes}shell symmetry{close_quotes} problem: the observed time history envelopes of most GRBs do not agree with that expected for a relativistic expanding shell. Although FREDs have the signature of a relativistic shell, they may not be due to a single shell, as required by some cosmological models. Some FREDs have precursors in which the peaks are separated by more than the expansion time required to explain FRED shape. Such a burst is most likely explained by a central engine; that is, the separation of the multiple peaks occurs because the central site produced multiple releases of energy on timescales comparable to the duration of the event. (Abstract Truncated)« less

Thermal-energy reactions of O2(2+) ions with O2, N2, CO2, NO, and Ne

NASA Technical Reports Server (NTRS)

Chatterjee, B. K.; Johnson, R.

1989-01-01

The paper presents results of drift-tube mass-spectrometer studies of the reactivity of doubly charged molecular oxygen ions with several molecules and neon atoms. Thermal-energ rate coefficients for the reactions with the molecular reactants were found to be large, close to the limiting Langevin rates. Charge transfer with neon atoms was observed, but the measured rate coefficient was only a small fraction of the Langevin rate. It is concluded that the measured rate constants for the reactions considereed refer to vibrationally excited ions.

Amplification of microwaves by superconducting microbridges in a four-wave parametric mode

NASA Technical Reports Server (NTRS)

Parrish, P. T.; Chiao, R. Y.

1974-01-01

Parametric amplification of microwaves was observed using thin-film junctions of the Anderson-Dayem type. A series of 80 such junctions were incorporated into the upper conductor of a broadband 50-ohm microstrip transmission line with no DC bias. The amplifier was operated in the 'doubly degenerate' mode with signal, pump, and idler frequencies closely and equally spaced. An electronic gain of 12 dB at 10 GHz was observed. The bandwidth was measured to be 1 GHz and the noise temperature to be less than 20 K.

Spectroscopy of singly, doubly, and triply bottom baryons

NASA Astrophysics Data System (ADS)

Wei, Ke-Wei; Chen, Bing; Liu, Na; Wang, Qian-Qian; Guo, Xin-Heng

2017-06-01

Recently, some singly bottom baryons have been established experimentally, but none of the doubly or triply bottom baryons have been observed. Under the Regge phenomenology, the mass of an unobserved ground-state doubly or triply bottom baryon is expressed as a function of masses of the well-established light baryons and singly bottom baryons. Then, the values of Regge slopes and Regge intercepts for baryons containing one, two, or three bottom quarks are calculated. After that, the masses of the orbitally excited singly, doubly, and triply bottom baryons are estimated. Our predictions may be useful for the discovery of these baryons and their JP assignments.

Comparison of doubly labeled water with respirometry at low- and high-activity levels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Westerterp, K.R.; Brouns, F.; Saris, W.H.

1988-07-01

In previous studies the doubly labeled water method for measuring energy expenditure in free-living humans has been validated against respirometry under sedentary conditions. In the present investigation, energy expenditure is measured simultaneously with doubly labeled water and respirometry at low- and high-activity levels. Over 6 days, five subjects were measured doing mainly sedentary activities like desk work; their average daily metabolic rate was 1.40 +/- 0.09 (SD) times sleeping metabolic rate. Four subjects were measured twice over 3.5 days, including 2 days with heavy bicycle ergometer work, resulting in an average daily metabolic rate of 2.61 +/- 0.25 (SD) timesmore » sleeping metabolic rate. At the low-activity level, energy expenditures from the doubly labeled water method were on the average 1.4 +/- 3.9% (SD) larger than those from respirometry. At the high-activity level, the doubly labeled water method yielded values that were 1.0 +/- 7.0% (SD) lower than those from respirometry. Results demonstrate the utility of the doubly labeled water method for the determination of energy expenditure in the range of activity levels in daily life.« less

Sound Transmission through Two Concentric Cylindrical Sandwich Shells

NASA Technical Reports Server (NTRS)

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

1996-01-01

This paper solves the problem of sound transmission through a system of two infinite concentric cylindrical sandwich shells. The shells are surrounded by external and internal fluid media and there is fluid (air) in the annular space between them. An oblique plane sound wave is incident upon the surface of the outer shell. A uniform flow is moving with a constant velocity in the external fluid medium. Classical thin shell theory is applied to the inner shell and first-order shear deformation theory is applied to the outer shell. A closed form for transmission loss is derived based on modal analysis. Investigations have been made for the impedance of both shells and the transmission loss through the shells from the exterior into the interior. Results are compared for double sandwich shells and single sandwich shells. This study shows that: (1) the impedance of the inner shell is much smaller than that of the outer shell so that the transmission loss is almost the same in both the annular space and the interior cavity of the shells; (2) the two concentric sandwich shells can produce an appreciable increase of transmission loss over single sandwich shells especially in the high frequency range; and (3) design guidelines may be derived with respect to the noise reduction requirement and the pressure in the annular space at a mid-frequency range.

Potential energy curves of the Na2+ molecular ion from all-electron ab initio relativistic calculations

NASA Astrophysics Data System (ADS)

Bewicz, Anna; Musiał, Monika; Kucharski, Stanisław A.

2017-11-01

The equation-of-motion coupled-cluster method for electron affinity calculations has been used to study potential energy curves (PECs) for the Na+2 molecular ion. Although the studied molecule represents the open shell system the applied approach employs the closed shell Na+ 22 ion as the reference. In addition the Na+ 22 system dissociates into the closed shell fragments; hence, the restricted Hartree-Fock scheme can be used within the whole range of interatomic distances, from 2 to 45 Å. We used large basis set engaging 268 basis functions with all 21 electrons correlated. The relativistic effects are included via second-order Douglas-Kroll method. The computed PECs, spectroscopic molecular constants and vibrational energy levels agree well with experimental values if the latter are available or with other theoretical data.

Does the 4f-shell contribute to bonding in tetravalent lanthanide halides?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ji, Wen-Xin; School of Chemistry and Chemical Engineering, Ningxia University, 750015 Yinchuan; Xu, Wei

2014-12-28

Lanthanide tetrahalide molecules LnX{sub 4} (Ln = Ce, Pr, Tb; X = F, Cl, Br, I) have been investigated by density functional theory at the levels of the relativistic Zero Order Regular Approximation and the relativistic energy-consistent pseudopotentials, using frozen small- and medium-cores. The calculated bond lengths and vibrational frequencies are close to the experimental data. Our calculations indicate 4f shell contributions to bonding in LnX{sub 4}, in particular for the early lanthanides, which show significant overlap between the Ln 4f-shell and the halogen np-shells. The 4f shells contribute to Ln-X bonding in LnX{sub 4} about one third more thanmore » in LnX{sub 3}.« less

On the shape and orientation control of an orbiting shallow spherical shell structure

NASA Technical Reports Server (NTRS)

Bainum, P. M.; Reddy, A. S. S. R.

1982-01-01

The dynamics of orbiting shallow flexible spherical shell structures under the influence of control actuators was studied. Control laws are developed to provide both attitude and shape control of the structure. The elastic modal frequencies for the fundamental and lower modes are closely grouped due to the effect of the shell curvature. The shell is gravity stabilized by a spring loaded dumbbell type damper attached at its apex. Control laws are developed based on the pole clustering techniques. Savings in fuel consumption can be realized by using the hybrid shell dumbbell system together with point actuators. It is indicated that instability may result by not including the orbital and first order gravity gradient effects in the plant prior to control law design.

THERMALLY SHIELDED MOISTURE REMOVAL DEVICE

DOEpatents

Miller, O.E.

1958-08-26

An apparatus is presented for removing moisture from the air within tanks by condensation upon a cartridge containing liquid air. An insulating shell made in two halves covers the cartridge within the evacuated system. The shell halves are hinged together and are operated by a system of levers from outside the tank with the motion translated through a sylphon bellows to cover and uncover the cartridge. When the condensation of moisture is in process, the insulative shell is moved away from the liquid air cartridge, and during that part of the process when there is no freezing out of moisture, the shell halves are closed on the cell so thnt the accumulated frost is not evaporated. This insulating shell greatly reduces the consumption of liquid air in this condensation process.

Simulating Self-Assembly with Simple Models

NASA Astrophysics Data System (ADS)

Rapaport, D. C.

Results from recent molecular dynamics simulations of virus capsid self-assembly are described. The model is based on rigid trapezoidal particles designed to form polyhedral shells of size 60, together with an atomistic solvent. The underlying bonding process is fully reversible. More extensive computations are required than in previous work on icosahedral shells built from triangular particles, but the outcome is a high yield of closed shells. Intermediate clusters have a variety of forms, and bond counts provide a useful classification scheme

The puzzling spectrum of HD 94509. Sounding out the extremes of Be shell star spectral morphology

NASA Astrophysics Data System (ADS)

Cowley, C. R.; Przybilla, N.; Hubrig, S.

2015-06-01

Context. The spectral features of HD 94509 are highly unusual, adding an extreme to the zoo of Be and shell stars. The shell dominates the spectrum, showing lines typical for spectral types mid-A to early-F, while the presence of a late/mid B-type central star is indicated by photospheric hydrogen line wings and helium lines. Numerous metallic absorption lines have broad wings but taper to narrow cores. They cannot be fit by Voigt profiles. Aims: We describe and illustrate unusual spectral features of this star, and make rough calculations to estimate physical conditions and abundances in the shell. Furthermore, the central star is characterized. Methods: We assume mean conditions for the shell. An electron density estimate is made from the Inglis-Teller formula. Excitation temperatures and column densities for Fe i and Fe ii are derived from curves of growth. The neutral H column density is estimated from high Paschen members. The column densities are compared with calculations made with the photoionization code Cloudy. Atmospheric parameters of the central star are constrained employing non-LTE spectrum synthesis. Results: Overall chemical abundances are close to solar. Column densities of the dominant ions of several elements, as well as excitation temperatures and the mean electron density are well accounted for by a simple model. Several features, including the degree of ionization, are less well described. Conclusions: HD 94509 is a Be star with a stable shell, close to the terminal-age main sequence. The dynamical state of the shell and the unusually shaped, but symmetric line profiles, require a separate study.

Localized surface plasmon mediated energy transfer in the vicinity of core-shell nanoparticle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shishodia, Manmohan Singh, E-mail: manmohan@gbu.ac.in; Juneja, Soniya

2016-05-28

Multipole spectral expansion based theory of energy transfer interactions between a donor and an acceptor molecule in the vicinity of a core-shell (nanoshell or core@shell) based plasmonic nanostructure is developed. In view of the diverse applications and rich plasmonic features such as tuning capability of surface plasmon (SP) frequencies, greater sensitivity to the change of dielectric environment, controllable redirection of electromagnetic radiation, closed form expressions for Energy Transfer Rate Enhancement Factor (ETREF) near core-shell particle are reported. The dependence of ETREF on different parameters is established through fitting equations, perceived to be of key importance for developing appropriate designs. Themore » theoretical approach developed in the present work is capable of treating higher order multipoles, which, in turn, are also shown to play a crucial role in the present context. Moreover, closed form expressions derived in the present work can directly be used as formula, e.g., for designing SP based biosensors and estimating energy exchange between proteins and excitonic interactions in quantum dots.« less

Hexakis(3,6-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-ylidene)cyclohexane: Closed-shell [6]Radialene or Open-shell Hexa-radicaloid?

PubMed

Wu, Jishan; Feng, Jiaqi; Gopalakrishna, Tullimilli Y; Phan, Hoa

2018-04-19

We report a star-shaped hexaquinocyclohexane molecule 4c, which turns out to be a closed-shell extended [6]radialene with a twisted-boat conformation according to X-ray crystallographic analysis. It was formed by an unusually slow decay of its in situ generated open-shell valence isomer, the hexa-radicaloid 4o, with a half-life time of about 156 min at room temperature. Reaction progress kinetic analysis revealed a large energy barrier of about 95.5 ± 4.3 kJ/mol at room temperature from the hexa-radical form 4o to the contorted [6]radialene form 4c, because the transformation need overcome large steric repulsion between the neighbouring phenoxyl units. Compound 4c can be chemically reduced to radical anion and dianion, and the dianion is actually a diradical dianion, with a calculated diradical character of 71.9%. This study demonstrated the unique chemical bonding nature of contorted quinoidal π-conjugated molecules and a very unusual valence isomerization process. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Differential recognition of syk-binding sites by each of the two phosphotyrosine-binding pockets of the Vav SH2 domain.

PubMed

Chen, Chih-Hong; Piraner, Dan; Gorenstein, Nina M; Geahlen, Robert L; Beth Post, Carol

2013-11-01

The association of spleen tyrosine kinase (Syk), a central tyrosine kinase in B cell signaling, with Vav SH2 domain is controlled by phosphorylation of two closely spaced tyrosines in Syk linker B: Y342 and Y346. Previous studies established both singly phosphorylated and doubly phosphorylated forms play a role in signaling. The structure of the doubly phosphorylated form identified a new recognition of phosphotyrosine whereby two phosphotyrosines bind simultaneously to the Vav SH2 domain, one in the canonical pTyr pocket and one in the specificity pocket on the opposite side of the central β-sheet. It is unknown if the specificity pocket can bind phosphotyrosine independent of phosphotyrosine binding the pTyr pocket. To address this gap in knowledge, we determined the structure of the complex between Vav1 SH2 and a peptide (SykLB-YpY) modeling the singly phosphorylated-Y346 form of Syk with unphosphorylated Y342. The nuclear magnetic resonance (NMR) data conclusively establish that recognition of phosphotyrosine is swapped between the two pockets; phosphorylated pY346 binds the specificity pocket of Vav1 SH2, and unphosphorylated Y342 occupies what is normally the pTyr binding pocket. Nearly identical changes in chemical shifts occurred upon binding all three forms of singly and doubly phosphorylated peptides; however, somewhat smaller shift perturbations for SykLB-YpY from residues in regions of high internal mobility suggest that internal motions are coupled to binding affinity. The differential recognition that includes this swapped binding of phosphotyrosine to the specificity pocket of Vav SH2 increases the repertoire of possible phosphotyrosine binding by SH2 domains in regulating protein-protein interactions in cellular signaling. Copyright © 2013 Wiley Periodicals, Inc.

Vibration analysis of FG cylindrical shells with power-law index using discrete singular convolution technique

NASA Astrophysics Data System (ADS)

Mercan, Kadir; Demir, Çiǧdem; Civalek, Ömer

2016-01-01

In the present manuscript, free vibration response of circular cylindrical shells with functionally graded material (FGM) is investigated. The method of discrete singular convolution (DSC) is used for numerical solution of the related governing equation of motion of FGM cylindrical shell. The constitutive relations are based on the Love's first approximation shell theory. The material properties are graded in the thickness direction according to a volume fraction power law indexes. Frequency values are calculated for different types of boundary conditions, material and geometric parameters. In general, close agreement between the obtained results and those of other researchers has been found.

Establishing low-lying doubly charmed baryons

NASA Astrophysics Data System (ADS)

Chen, Hua-Xing; Mao, Qiang; Chen, Wei; Liu, Xiang; Zhu, Shi-Lin

2017-08-01

We systematically study the S -wave doubly charmed baryons using the method of QCD sum rules. Our results suggest that the Ξcc ++ recently observed by LHCb can be well identified as the S -wave Ξc c state of JP=1 /2+. We study its relevant Ωc c state, the mass of which is predicted to be around 3.7 GeV. We also systematically study the P -wave doubly charmed baryons, the masses of which are predicted to be around 4.1 GeV. Especially, there can be several excited doubly charmed baryons in this energy region, and we suggest searching for them in order to study the fine structure of the strong interaction.

Adsorption performance of coconut shell activated carbon for the removal of chlorate from chlor-alkali brine stream.

PubMed

Lakshmanan, Shyam; Murugesan, Thanapalan

2016-12-01

Activated carbon from coconut shell was used to investigate the adsorption of chlorate from a chlor-alkali plant's brine stream. The effect of pH, flowrate, chlorate and chloride concentration on the breakthrough curves were studied in small-scale column trials. The results obtained show enhanced adsorption at low flowrates, higher chlorate concentrations, and at a pH of 10. These studies show that introducing an activated carbon adsorption column just before the saturator would remove sufficient quantities of chlorate to allow more of the chlor-alkali plant's brine stream to be reused. From column dynamic studies, the Thomas model showed close approximation when the chlorate in the effluent was higher than breakthrough concentrations and there was close correlation at high influent concentration. The q o (maximum adsorption capacity) values were close to those obtained experimentally, indicating close representation of the breakthrough curve by the Thomas model.

Electronic excitations in long polyenes revisited

NASA Astrophysics Data System (ADS)

Schmidt, Maximilian; Tavan, Paul

2012-03-01

We apply the valence shell model OM2 [W. Weber and W. Thiel, Theor. Chem. Acc. 103, 495, (2000), 10.1007/s002149900083] combined with multireference configuration interaction (MRCI) to compute the vertical excitation energies and transition dipole moments of the low-energy singlet excitations in the polyenes with 4 ⩽ N ⩽ 22π-electrons. We find that the OM2/MRCI descriptions closely resemble those of Pariser-Parr-Pople (PPP) π-electron models [P. Tavan and K. Schulten, Phys. Rev. B 36, 4337, (1987)], if equivalent MRCI procedures and regularly alternating model geometries are used. OM2/MRCI optimized geometries are shown to entail improved descriptions particularly for smaller polyenes (N ⩽ 12), for which sizeable deviations from the regular model geometries are found. With configuration interaction active spaces covering also the σ- in addition to the π-electrons, OM2/MRCI excitation energies turn out to become smaller by at most 0.35 eV for the ionic and 0.15 eV for the covalent excitations. The particle-hole (ph) symmetry, which in Pariser-Parr-Pople models arises from the zero-differential overlap approximation, is demonstrated to be only weakly broken in OM2 such that the oscillator strengths of the covalent 1B_u^- states, which artificially vanish in ph-symmetric models, are predicted to be very small. According to OM2/MRCI and experimental data the 1B_u^- state is the third excited singlet state for N < 12 and becomes the second for N ⩾ 14. By comparisons with results of other theoretical approaches and experimental evidence we argue that deficiencies of the particular MRCI method employed by us, which show up in a poor size consistency of the covalent excitations for N > 12, are caused by its restriction to at most doubly excited references.

Structure of 52 132Te80: The two-particle and two-hole spectrum of 50 132Sn82

NASA Astrophysics Data System (ADS)

Biswas, S.; Palit, R.; Navin, A.; Rejmund, M.; Bisoi, A.; Sarkar, M. Saha; Sarkar, S.; Bhattacharyya, S.; Biswas, D. C.; Caamaño, M.; Carpenter, M. P.; Choudhury, D.; Clément, E.; Danu, L. S.; Delaune, O.; Farget, F.; de France, G.; Hota, S. S.; Jacquot, B.; Lemasson, A.; Mukhopadhyay, S.; Nanal, V.; Pillay, R. G.; Saha, S.; Sethi, J.; Singh, Purnima; Srivastava, P. C.; Tandel, S. K.

2016-03-01

High-spin states in 132Te, an isotope with two proton particles and two neutron holes outside of the 132Sn doubly magic core, have been extended up to an excitation energy of 6.17 MeV. The prompt-delayed coincidence technique has been used to correlate states above the T1 /2=3.70 (9 ) μ s isomer in 132Te to the lower states using 232Th(7Li,f ) at 5.4 MeV/u and the Indian National Gamma Array (INGA). With 9Be(238U,f ) at 6.2 MeV/u and EXOGAM γ -array coupled with the VAMOS++ spectrometer, the level scheme was extended to higher excitation energies. The high-spin positive-parity states, above Jπ=10+ , in 132Te are expected to arise from the alignment of the particles in the high-j orbitals lying close to the Fermi surface, the π g7/2 2 , and the ν h11/2 -2 configurations. The experimental level scheme has been compared with the large scale shell model calculations. A reduction in the p -n interaction strength resulted in an improved agreement with the measurements up to the spin of 15 ℏ . In contrast, the comparison of the differences between the experiment and these calculations for the N =76 ,78 isotones of Te and Sn shows the increasing disagreement as a function of spin, where the magnitude is larger in Te than in Sn. This behavior could possibly be attributed to the deficiencies in the p -n correlations, in addition to the n -n correlations in Sn.

Three-dimensional doubly diffusive convectons: instability and transition to complex dynamics

NASA Astrophysics Data System (ADS)

Knobloch, Edgar; Beaume, Cedric; Bergeon, Alain

2017-11-01

Doubly diffusive convection in a closed vertically extended 3D container driven by competing horizontal temperature and concentration gradients is studied. No-slip boundary conditions are imposed. The buoyancy number N = - 1 to ensure the presence of a conduction state. The primary instability is subcritical and generates two families of spatially localised steady states known as convectons. The convectons bifurcate directly from the conduction state and are organized in a pair of primary branches that snake within a well-defined range of Rayleigh numbers as the convectons grow in length. Secondary instabilities generating twist result in secondary snaking branches of twisted convectons. These destabilize the primary convectons and are responsible for the absence of stable steady states, localized or otherwise, in the subcritical regime. As a result, once the Rayleigh number for the primary instability of the conduction state is exceeded, the system exhibits an abrupt transition to large amplitude spatio-temporal chaos that arises whenever the twist instability leading to collapse is faster than the nucleation time for new rolls. These numerical results are confirmed by determining the stability properties of all convecton states as well as spatially extended convection. Supported in part by the National Science Foundation under Grant DMS-1613132.

Coupled mixed-field laminate theory and finite element for smart piezoelectric composite shell structures

NASA Technical Reports Server (NTRS)

Saravanos, Dimitris A.

1996-01-01

Mechanics for the analysis of laminated composite shells with piezoelectric actuators and sensors are presented. A new mixed-field laminate theory for piezoelectric shells is formulated in curvilinear coordinates which combines single-layer assumptions for the displacements and a layerwise representation for the electric potential. The resultant coupled governing equations for curvilinear piezoelectric laminates are described. Structural mechanics are subsequently developed and an 8-node finite-element is formulated for the static and dynamic analysis of adaptive composite structures of general laminations containing piezoelectric layers. Evaluations of the method and comparisons with reported results are presented for laminated piezoelectric-composite plates, a closed cylindrical shell with a continuous piezoceramic layer and a laminated composite semi-circular cantilever shell with discrete cylindrical piezoelectric actuators and/or sensors.

The relativistic theory of the chemical shift

NASA Astrophysics Data System (ADS)

Pyper, N. C.

1983-04-01

A relativistic theory of the NMR chemical shift for a closed-shell system is presented. The final expression for the shielding, derived by, applying two Gordon decompositions to the Dirac current operator, closely parallels the Ramsey non-relativistic result.

Design of an Ada expert system shell for the VHSIC avionic modular flight processor

NASA Technical Reports Server (NTRS)

Fanning, F. Jesse

1992-01-01

The Embedded Computer System Expert System Shell (ES Shell) is an Ada-based expert system shell developed at the Avionics Laboratory for use on the VHSIC Avionic Modular Processor (VAMP) running under the Ada Avionics Real-Time Software (AARTS) Operating System. The ES Shell provides the interface between the expert system and the avionics environment, and controls execution of the expert system. Testing of the ES Shell in the Avionics Laboratory's Integrated Test Bed (ITB) has demonstrated its ability to control a non-deterministic software application executing on the VAMP's which can control the ITB's real-time closed-loop aircraft simulation. The results of these tests and the conclusions reached in the design and development of the ES Shell have played an important role in the formulation of the requirements for a production-quality expert system inference engine, an ingredient necessary for the successful use of expert systems on the VAMP embedded avionic flight processor.

Doubly fed induction machine

DOEpatents

Skeist, S. Merrill; Baker, Richard H.

2005-10-11

An electro-mechanical energy conversion system coupled between an energy source and an energy load including an energy converter device having a doubly fed induction machine coupled between the energy source and the energy load to convert the energy from the energy source and to transfer the converted energy to the energy load and an energy transfer multiplexer coupled to the energy converter device to control the flow of power or energy through the doubly fed induction machine.

A generic double-curvature piezoelectric shell energy harvester: Linear/nonlinear theory and applications

NASA Astrophysics Data System (ADS)

Zhang, X. F.; Hu, S. D.; Tzou, H. S.

2014-12-01

Converting vibration energy to useful electric energy has attracted much attention in recent years. Based on the electromechanical coupling of piezoelectricity, distributed piezoelectric zero-curvature type (e.g., beams and plates) energy harvesters have been proposed and evaluated. The objective of this study is to develop a generic linear and nonlinear piezoelectric shell energy harvesting theory based on a double-curvature shell. The generic piezoelectric shell energy harvester consists of an elastic double-curvature shell and piezoelectric patches laminated on its surface(s). With a current model in the closed-circuit condition, output voltages and energies across a resistive load are evaluated when the shell is subjected to harmonic excitations. Steady-state voltage and power outputs across the resistive load are calculated at resonance for each shell mode. The piezoelectric shell energy harvesting mechanism can be simplified to shell (e.g., cylindrical, conical, spherical, paraboloidal, etc.) and non-shell (beam, plate, ring, arch, etc.) distributed harvesters using two Lamé parameters and two curvature radii of the selected harvester geometry. To demonstrate the utility and simplification procedures, the generic linear/nonlinear shell energy harvester mechanism is simplified to three specific structures, i.e., a cantilever beam case, a circular ring case and a conical shell case. Results show the versatility of the generic linear/nonlinear shell energy harvesting mechanism and the validity of the simplification procedures.

SHELL MICROSTRUCTURE OF GASTROPODS FROM LAKE TANGANYIKA, AFRICA: ADAPTATION, CONVERGENT EVOLUTION, AND ESCALATION.

PubMed

West, Kelly; Cohen, Andrew

1996-04-01

Gastropod shells from Lake Tanganyika, with their heavy calcification, coarse noded ribbing, spines, apertural lip thickening and repair scars, resemble marine shells more closely than they resemble other lacustrine shells. This convergence between Tanganyikan and marine gastropod shells, however, is not just superficial. Scanning electron microscope (SEM) studies reveal that the Tanganyikan shells are primarily layers of crossed-lamellar crystal architecture (that is, needle-like aragonite crystals arranged into laths that are packed into sheets such that the aragonite needles of adjacent laths are never parallel). The number of crossed-lamellar layers can vary from one to four between different Tanganyikan gastropod species. In species with two or more crossed-lamellar layers, the orientation of the lamellae is offset by approximately 90° between the different layers. The number of crossed-lamellar layers in the shell wall is positively correlated with shell strength and with predation resistance. Three and four crossed-lamellar layers in the shell wall evolved several times independently within the endemic thiarid gastropod radiation in Lake Tanganyika. Repeated origins of three and four crossed-lamellar layers suggest that they may be specific adaptations by Tanganyikan gastropods to strengthen their shells as a defense against shell-crushing predators. © 1996 The Society for the Study of Evolution.

MHD Waves in Coronal Loops with a Shell

NASA Astrophysics Data System (ADS)

Mikhalyaev, B. B.; Solov'ev, A. A.

2004-04-01

We consider a model of a coronal loop in the form of a cord surrounded by a coaxial shell. Two slow magnetosonic waves longitudinally propagate within a thin flux tube on the m = 0 cylindrical mode with velocities close to the tube velocities in the cord and the shell. One wave propagates inside the cord, while the other propagates inside the shell. A peculiar feature of the second wave is that the plasma in the cord and the shell oscillates with opposite phases. There are two fast magnetosonic waves on each of the cylindrical modes with m > 0. If the plasma density in the shell is lower than that in the surrounding corona, then one of the waves is radiated into the corona, which causes the loop oscillations to be damped, while the other wave is trapped by the cord, but can also be radiated out under certain conditions. If the plasma density in the shell is higher than that in the cord, then one of the waves is trapped by the shell, while the other wave can also be trapped by the shell under certain conditions. In the wave trapped by the shell and the wave radiated by the tube, the plasma in the cord and the shell oscillates with opposite phases.

Sound Transmission through Cylindrical Shell Structures Excited by Boundary Layer Pressure Fluctuations

NASA Technical Reports Server (NTRS)

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

1996-01-01

This paper examines sound transmission into two concentric cylindrical sandwich shells subject to turbulent flow on the exterior surface of the outer shell. The interior of the shells is filled with fluid medium and there is an airgap between the shells in the annular space. The description of the pressure field is based on the cross-spectral density formulation of Corcos, Maestrello, and Efimtsov models of the turbulent boundary layer. The classical thin shell theory and the first-order shear deformation theory are applied for the inner and outer shells, respectively. Modal expansion and the Galerkin approach are used to obtain closed-form solutions for the shell displacements and the radiation and transmission pressures in the cavities including both the annular space and the interior. The average spectral density of the structural responses and the transmitted interior pressures are expressed explicitly in terms of the summation of the cross-spectral density of generalized force induced by the boundary layer turbulence. The effects of acoustic and hydrodynamic coincidences on the spectral density are observed. Numerical examples are presented to illustrate the method for both subsonic and supersonic flows.

Buckling of circular cylindrical shells under dynamically applied axial loads

NASA Technical Reports Server (NTRS)

Tulk, J. D.

1972-01-01

A theoretical and experimental study was made of the buckling characteristics of perfect and imperfect circular cylindrical shells subjected to dynamic axial loading. Experimental data included dynamic buckling loads (124 data points), high speed photographs of buckling mode shapes and observations of the dynamic stability of shells subjected to rapidly applied sub-critical loads. A mathematical model was developed to describe the dynamic behavior of perfect and imperfect shells. This model was based on the Donnell-Von Karman compatibility and equilibrium equations and had a wall deflection function incorporating five separate modes of deflection. Close agreement between theory and experiment was found for both dynamic buckling strength and buckling mode shapes.

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.

High throughput chemical munitions treatment system

DOEpatents

Haroldsen, Brent L [Manteca, CA; Stofleth, Jerome H [Albuquerque, NM; Didlake, Jr., John E.; Wu, Benjamin C-P [San Ramon, CA

2011-11-01

A new High-Throughput Explosive Destruction System is disclosed. The new system is comprised of two side-by-side detonation containment vessels each comprising first and second halves that feed into a single agent treatment vessel. Both detonation containment vessels further comprise a surrounding ventilation facility. Moreover, the detonation containment vessels are designed to separate into two half-shells, wherein one shell can be moved axially away from the fixed, second half for ease of access and loading. The vessels are closed by means of a surrounding, clam-shell type locking seal mechanisms.

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

NASA Technical Reports Server (NTRS)

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

1994-01-01

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

Covariate selection with group lasso and doubly robust estimation of causal effects

PubMed Central

Koch, Brandon; Vock, David M.; Wolfson, Julian

2017-01-01

Summary The efficiency of doubly robust estimators of the average causal effect (ACE) of a treatment can be improved by including in the treatment and outcome models only those covariates which are related to both treatment and outcome (i.e., confounders) or related only to the outcome. However, it is often challenging to identify such covariates among the large number that may be measured in a given study. In this paper, we propose GLiDeR (Group Lasso and Doubly Robust Estimation), a novel variable selection technique for identifying confounders and predictors of outcome using an adaptive group lasso approach that simultaneously performs coefficient selection, regularization, and estimation across the treatment and outcome models. The selected variables and corresponding coefficient estimates are used in a standard doubly robust ACE estimator. We provide asymptotic results showing that, for a broad class of data generating mechanisms, GLiDeR yields a consistent estimator of the ACE when either the outcome or treatment model is correctly specified. A comprehensive simulation study shows that GLiDeR is more efficient than doubly robust methods using standard variable selection techniques and has substantial computational advantages over a recently proposed doubly robust Bayesian model averaging method. We illustrate our method by estimating the causal treatment effect of bilateral versus single-lung transplant on forced expiratory volume in one year after transplant using an observational registry. PMID:28636276

Covariate selection with group lasso and doubly robust estimation of causal effects.

PubMed

Koch, Brandon; Vock, David M; Wolfson, Julian

2018-03-01

The efficiency of doubly robust estimators of the average causal effect (ACE) of a treatment can be improved by including in the treatment and outcome models only those covariates which are related to both treatment and outcome (i.e., confounders) or related only to the outcome. However, it is often challenging to identify such covariates among the large number that may be measured in a given study. In this article, we propose GLiDeR (Group Lasso and Doubly Robust Estimation), a novel variable selection technique for identifying confounders and predictors of outcome using an adaptive group lasso approach that simultaneously performs coefficient selection, regularization, and estimation across the treatment and outcome models. The selected variables and corresponding coefficient estimates are used in a standard doubly robust ACE estimator. We provide asymptotic results showing that, for a broad class of data generating mechanisms, GLiDeR yields a consistent estimator of the ACE when either the outcome or treatment model is correctly specified. A comprehensive simulation study shows that GLiDeR is more efficient than doubly robust methods using standard variable selection techniques and has substantial computational advantages over a recently proposed doubly robust Bayesian model averaging method. We illustrate our method by estimating the causal treatment effect of bilateral versus single-lung transplant on forced expiratory volume in one year after transplant using an observational registry. © 2017, The International Biometric Society.

Interactions of stars and interstellar matter in Scorpio Centaurus

NASA Technical Reports Server (NTRS)

De Geus, E. J.

1992-01-01

The interaction of the stars in the Scorpio-Centaurus OB association with the ambient interstellar medium is investigated. Large H I loops in the fourth galactic quadrant are parts of expanding shells surrounding the subgroups of the association. The energy output of the original stellar population of the subgroups is calculated. Comparison with the kinetic energy of the shells shows that the energy output of the stars in the subgroups is sufficient to form the shells. The masses of the shells are consistent with those of giant molecular clouds GMCs, suggesting that the shells consist of swept-up, original GMC material. The influence of the expanding shell around the young Upper-Scorpius subgroup on the morphology of the Ophiuchus molecular clouds is investigated. The interaction of the shell with the Ophiuchus clouds accounts for the presence of a slow shock and for the shape of the elongated dark clouds connected to the Rho Oph dense cloud. The close passage of the trajectory of the runaway star Zeta Oph by the center of the Upper-Scorpius shell, combined with the time scale of formation of the shell, strongly suggests that the star has originated in the Upper-Scorpius subgroup.

Excited State Trends in Bidirectionally Expanded Closed-Shell PAH and PANH Anions

PubMed Central

Moore, Megan M.; Lee, Timothy J.

2018-01-01

Some anions are known to exhibit excited states independent of external forces such as dipole moments and induced polarizabilities. Such states exist simply as a result of the stabilization of valence accepting orbitals whereby the binding energy of the extra electron is greater than the valence excitation energy. Closed-shell anions are interesting candidates for such transitions since their ground-state, spin-paired nature makes the anions more stable from the beginning. Consequently, this work shows the point beyond which deprotonated, closed-shell polycyclic aromatic hydrocarbons (PAHs) and those PAHs containing nitrogen heteroatoms (PANHs) will exhibit valence excited states. This behavior has already been demonstrated in some PANHs and for anistropically-extended PAHs. This work establishes a general trend for PAHs/PANHs of arbitrary size and directional extension, whether in one dimension or two. Once seven six-membered rings make up a PAH/PANH, valence excited states are present. For most classes of PAHs/PANHs, this number is closer to four. Even though most of these excited states are weak absorbers, the sheer number of PAHs present in various astronomical environments should make them significant contributors to astronomical spectra. PMID:27585793

The origin of the reactivity of the Criegee intermediate: implications for atmospheric particle growth

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miliordos, Evangelos; Xantheas, Sotiris S.

2016-01-18

The electronic structure of the simplest Criegee intermediate (H₂COO) is practically that of a closed shell. On the biradical scale (β) from 0 (pure closed shell) to 1 (pure biradical) it registers a mere β=0.10, suggesting that a Lewis structure of a H₂C=O δ+-O δ- zwitterion best describes its ground electronic state. However, this picture of a nearly inert closed shell contradicts its rich atmospheric reactivity. It is the mixing of its ground with the first triplet excited state, which is a pure biradical state of the type H₂C•-O-O•, that is responsible for the formation of strongly bound products duringmore » reactions inducing atmospheric particle growth. This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. This research also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.« less

Doubly robust nonparametric inference on the average treatment effect.

PubMed

Benkeser, D; Carone, M; Laan, M J Van Der; Gilbert, P B

2017-12-01

Doubly robust estimators are widely used to draw inference about the average effect of a treatment. Such estimators are consistent for the effect of interest if either one of two nuisance parameters is consistently estimated. However, if flexible, data-adaptive estimators of these nuisance parameters are used, double robustness does not readily extend to inference. We present a general theoretical study of the behaviour of doubly robust estimators of an average treatment effect when one of the nuisance parameters is inconsistently estimated. We contrast different methods for constructing such estimators and investigate the extent to which they may be modified to also allow doubly robust inference. We find that while targeted minimum loss-based estimation can be used to solve this problem very naturally, common alternative frameworks appear to be inappropriate for this purpose. We provide a theoretical study and a numerical evaluation of the alternatives considered. Our simulations highlight the need for and usefulness of these approaches in practice, while our theoretical developments have broad implications for the construction of estimators that permit doubly robust inference in other problems.

Construction of a novel Mo/Cu/S cluster with a closed double-cubane-like polyhedron and a chain polymer of W/Cu/S clusters.

PubMed

Li, Zhihua; Du, Shaowu; Wu, Xintao

2004-08-09

Reaction of [MoOS(3)](2)(-) and [WS(4)](2)(-) with Cudtp (dtp = diethyl dithiophosphate) gave rise to the clusters [Bu(4)N](2)[(MoOS(3))(4)Cu(12)(dtp)(6)], 1, and [Et(4)N][(WS(4)Cu(4))(dtp)(3)], 2, respectively. In cluster 1, the dtp- ligands act as both monodentate and bidentate ligands that bridge between Cu atoms and link together a closed double-cubane-like [Mo(2)O(2)S(6)Cu(6)](2+) core and two incomplete cubane-like [MoOS(3)Cu(3)]+ units. In cluster 2, the [WS(4)Cu(4)](2+) fragments were connected via bidentate and doubly bridging dtp- bridges to give a chain polymeric anion. Cluster 1 is the first example of a Mo/Cu/S cluster that contains a closed double-cubane-like structure. Compound 2 is also rare and the first W/Cu/S polymer with dtp- linkages.

Long-lived K isomer and enhanced γ vibration in the neutron-rich nucleus 172Dy: Collectivity beyond double midshell

NASA Astrophysics Data System (ADS)

Watanabe, H.; Zhang, G. X.; Yoshida, K.; Walker, P. M.; Liu, J. J.; Wu, J.; Regan, P. H.; Söderström, P.-A.; Kanaoka, H.; Korkulu, Z.; Lee, P. S.; Nishimura, S.; Yagi, A.; Ahn, D. S.; Alharbi, T.; Baba, H.; Browne, F.; Bruce, A. M.; Carroll, R. J.; Chae, K. Y.; Dombradi, Zs.; Doornenbal, P.; Estrade, A.; Fukuda, N.; Griffin, C.; Ideguchi, E.; Inabe, N.; Isobe, T.; Kanaya, S.; Kojouharov, I.; Kondev, F. G.; Kubo, T.; Kubono, S.; Kurz, N.; Kuti, I.; Lalkovski, S.; Lane, G. J.; Lee, C. S.; Lee, E. J.; Lorusso, G.; Lotay, G.; Moon, C.-B.; Nishizuka, I.; Nita, C. R.; Odahara, A.; Patel, Z.; Phong, V. H.; Podolyák, Zs.; Roberts, O. J.; Sakurai, H.; Schaffner, H.; Shand, C. M.; Shimizu, Y.; Sumikama, T.; Suzuki, H.; Takeda, H.; Terashima, S.; Vajta, Zs.; Valiente-Dóbon, J. J.; Xu, Z. Y.

2016-09-01

The level structure of 172Dy has been investigated for the first time by means of decay spectroscopy following in-flight fission of a 238U beam. A long-lived isomeric state with T1/2 = 0.71 (5) s and Kπ =8- has been identified at 1278 keV, which decays to the ground-state and γ-vibrational bands through hindered electromagnetic transitions, as well as to the daughter nucleus 172Ho via allowed β decays. The robust nature of the Kπ =8- isomer and the ground-state rotational band reveals an axially-symmetric structure for this nucleus. Meanwhile, the γ-vibrational levels have been identified at unusually low excitation energy compared to the neighboring well-deformed nuclei, indicating the significance of the microscopic effect on the non-axial collectivity in this doubly mid-shell region. The underlying mechanism of enhanced γ vibration is discussed in comparison with the deformed Quasiparticle Random-Phase Approximation based on a Skyrme energy-density functional.

Extended Analysis of the Spectrum and Term System of Be III

NASA Astrophysics Data System (ADS)

Jupén, C.; Meigs, A.; von Hellermann, M.; Morsi, H. W.; Beringer, M.; Mannervik, S.; Martinson, I.

We report an extended and partly revised analysis of doubly ionized beryllium, Be III. Spectra of Be were recorded at the JET fusion facility where beryllium was used as surface material in the divertor. Observations of the divertor plasma have revealed many previously unknown Be lines, of which 28 (in the range 2100-5300 Å) have been classified as Be III transitions. We have also reanalyzed beam-foil spectra of Be (1900-5500 Å), recorded during a study of inner-shell excited levels in Be II. This yielded 7 additional Be III lines. These data, together with 32 previously known lines now represent an observed term system comprising 46 levels, with relative energy value uncertainties of around 1 cm-1. The ionization energy of 1s2 1S has been determined to 1,241,243.5 ± 14 cm-1 with an estimated Lamb shift of -43 ± 14 cm-1. A complete description of the term scheme deduced from polarization and Ritz formulae is presented.

Signatures of doubly-charged Higgsinos at colliders

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demir, D. A.; Deutsches Elektronen-Synchrotron, DESY, D-22603 Hamburg; Frank, M.

2008-11-23

Several supersymmetric models with extended gauge structures predict light doubly-charged Higgsinos. Their distinctive signature at the large hadron collider is highlighted by studying its production and decay characteristics.

Electronic shell structure in Ga12 icosahedra and the relation to the bulk forms of gallium.

PubMed

Schebarchov, D; Gaston, N

2012-07-28

The electronic structure of known cluster compounds with a cage-like icosahedral Ga(12) centre is studied by first-principles theoretical methods, based on density functional theory. We consider these hollow metalloid nanostructures in the context of the polymorphism of the bulk, and identify a close relation to the α phase of gallium. This previously unrecognised connection is established using the electron localisation function, which reveals the ubiquitous presence of radially-pointing covalent bonds around the Ga(12) centre--analogous to the covalent bonds between buckled deltahedral planes in α-Ga. Furthermore, we find prominent superatom shell structure in these clusters, despite their hollow icosahedral motif and the presence of covalent bonds. The exact nature of the electronic shell structure is contrasted with simple electron shell models based on jellium, and we demonstrate how the interplay between gallium dimerisation, ligand- and crystal-field effects can alter the splitting of the partially filled 1F shell. Finally, in the unique compound where the Ga(12) centre is bridged by six phosphorus ligands, the electronic structure most closely resembles that of δ-Ga and there are no well-defined superatom orbitals. The results of this comprehensive study bring new insights into the nature of chemical bonding in metalloid gallium compounds and the relation to bulk gallium metal, and they may also guide the development of more general models for ligand-protected clusters.

Domain model for Ca2(+)-inactivation of Ca2+ channels at low channel density.

PubMed Central

Sherman, A; Keizer, J; Rinzel, J

1990-01-01

The "shell" model for Ca2(+)-inactivation of Ca2+ channels is based on the accumulation of Ca2+ in a macroscopic shell beneath the plasma membrane. The shell is filled by Ca2+ entering through open channels, with the elevated Ca2+ concentration inactivating both open and closed channels at a rate determined by how fast the shell is filled. In cells with low channel density, the high concentration Ca2+ "shell" degenerates into a collection of nonoverlapping "domains" localized near open channels. These domains form rapidly when channels open and disappear rapidly when channels close. We use this idea to develop a "domain" model for Ca2(+)-inactivation of Ca2+ channels. In this model the kinetics of formation of an inactivated state resulting from Ca2+ binding to open channels determines the inactivation rate, a mechanism identical with that which explains single-channel recordings on rabbit-mesenteric artery Ca2+ channels (Huang Y., J. M. Quayle, J. F. Worley, N. B. Standen, and M. T. Nelson. 1989. Biophys. J. 56:1023-1028). We show that the model correctly predicts five important features of the whole-cell Ca2(+)-inactivation for mouse pancreatic beta-cells (Plants, T. D. 1988. J. Physiol. 404:731-747) and that Ca2(+)-inactivation has only minor effects on the bursting electrical activity of these cells. PMID:2174274

Magnetically Recoverable Pd/Fe 3O 4 Core-Shell Nanowire Clusters with Increased Hydrogenation Activity

DOE PAGES

Watt, John; Kotula, Paul G.; Huber, Dale L.

2017-02-06

Core-shell nanostructures are promising candidates for the next generation of catalysts due to synergistic effects which can arise from having two active species in close contact, leading to increased activity. Likewise, catalysts displaying added functionality, such as a magnetic response, can increase their scientific and industrial potential. Here, we synthesize Pd/Fe 3O 4 core-shell nanowire clusters and apply them as hydrogenation catalysts for an industrially important hydrogenation reaction; the conversion of acetophenone to 1-phenylethanol. During synthesis, the palladium nanowires self-assemble into clusters which act as a high surface area framework for the growth of a magnetic iron oxide shell. Wemore » demonstrate excellent catalytic activity due to the presence of palladium while the strong magnetic properties provided by the iron oxide shell enable facile catalyst recovery.« less

Exact solutions for laminated composite cylindrical shells in cylindrical bending

NASA Technical Reports Server (NTRS)

Yuan, F. G.

1992-01-01

Analytic elasticity solutions for laminated composite cylindrical shells under cylindrical bending are presented. The material of the shell is assumed to be general cylindrically anisotropic. Based on the theory of cylindrical anisotropic elasticity, coupled governing partial differential equations are developed. The general expressions for the stresses and displacements in the laminated composite cylinders are discussed. The closed form solutions based on Classical Shell Theory (CST) and Donnell's (1933) theory are also derived for comparison purposes. Three examples illustrate the effect of radius-to-thickness ratio, coupling and stacking sequence. The results show that, in general, CST yields poor stress and displacement distributions for thick-section composite shells, but converges to the exact elasticity solution as the radius-to-thickness ratio increases. It is also shown that Donnell's theory significantly underestimates the stress and displacement response.

Low-frequency vibrations of a cylindrical shell rotating on rollers

NASA Astrophysics Data System (ADS)

Filippov, S. B.

2018-05-01

Small free low-frequency vibrations of a rotating closed cylindrical shell which is in a contact with rigid cylindrical rollers are considered. Assumptions of semi-momentless shell theory are used. By means of the expansion of solutions in truncated Fourier series in circumference coordinate the system of the algebraic equations for the approximate calculation of the vibration frequencies and the mode shapes is obtained. The algorithm for the evaluation of frequencies and vibration modes based on analytical solution is developed. In particular, the lowest frequencies of thin cylindrical shell, representing greatest interest for applications, were found. Approximate results are compared with results of numerical calculations carried out by the Finite Elements Analysis. It is shown that the semi-momentless theory can be used for the evaluation of the low frequencies of a cylindrical shell rotating on rollers.

On Closed Shells in Nuclei. II

DOE R&D Accomplishments Database

Mayer, M. G.

1949-04-01

Discussion on the use of spins and magnetic moments of the even-odd nuclei by Feenberg and Nordheim to determine the angular momentum of the eigenfunction of the odd particle; discussion of prevalence of isomerism in certain regions of the isotope chart; tabulated data on levels of square well potential, spectroscopic levels, spin term, number of states, shells and known spins and orbital assignments.

Changes in Benthos Associated with Mussel (Mytilus edulis L.) Farms on the West-Coast of Scotland

PubMed Central

Wilding, Thomas A.; Nickell, Thomas D.

2013-01-01

Aquaculture, as a means of food production, is growing rapidly in response to an increasing demand for protein and the over-exploitation of wild fisheries. This expansion includes mussels (family Mytilidae) where production currently stands at 1.5 million tonnes per annum. Mussel culture is frequently perceived as having little environmental impact yet mussel biodeposits and shell debris accumulate around the production site and are linked to changes in the benthos. To assess the extent and nature of changes in benthos associated with mussel farming grab and video sampling around seven mussel farms was conducted. Grab samples were analysed for macrofauna and shell-hash content whilst starfish were counted and the shell-hash cover estimated from video imaging. Shell-hash was patchily distributed and occasionally dominated sediments (maximum of 2116 g per 0.1 m2 grab). Mean shell-hash content decreased rapidly at distances >5 m from the line and, over the distance 1–64 m, decreased by three orders of magnitude. The presence of shell-hash and the distance-from-line influenced macrofaunal assemblages but this effect differed between sites. There was no evidence that mussel farming was associated with changes in macrobenthic diversity, species count or feeding strategy. However, total macrofaunal count was estimated to be 2.5 times higher in close proximity to the lines, compared with 64 m distance, and there was evidence that this effect was conditional on the presence of shell-hash. Starfish density varied considerably between sites but, overall, they were approximately 10 times as abundant close to the mussel-lines compared with 64 m distance. There was no evidence that starfish were more abundant in the presence of shell-hash visible on the sediment surface. In terms of farm-scale benthic impacts these data suggest that mussel farming is a relatively benign way of producing food, compared with intensive fish-farming, in similar environments. PMID:23874583

Low energy dipole strength from large scale shell model calculations

NASA Astrophysics Data System (ADS)

Sieja, Kamila

2017-09-01

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

Experiments on shells under base excitation

NASA Astrophysics Data System (ADS)

Pellicano, Francesco; Barbieri, Marco; Zippo, Antonio; Strozzi, Matteo

2016-05-01

The aim of the present paper is a deep experimental investigation of the nonlinear dynamics of circular cylindrical shells. The specific problem regards the response of circular cylindrical shells subjected to base excitation. The shells are mounted on a shaking table that furnishes a vertical vibration parallel to the cylinder axis; a heavy rigid disk is mounted on the top of the shells. The base vibration induces a rigid body motion, which mainly causes huge inertia forces exerted by the top disk to the shell. In-plane stresses due to the aforementioned inertias give rise to impressively large vibration on the shell. An extremely violent dynamic phenomenon suddenly appears as the excitation frequency varies up and down close to the linear resonant frequency of the first axisymmetric mode. The dynamics are deeply investigated by varying excitation level and frequency. Moreover, in order to generalise the investigation, two different geometries are analysed. The paper furnishes a complete dynamic scenario by means of: (i) amplitude frequency diagrams, (ii) bifurcation diagrams, (iii) time histories and spectra, (iv) phase portraits and Poincaré maps. It is to be stressed that all the results presented here are experimental.

Simulations of polymorphic icosahedral shells assembling around many cargo molecules

NASA Astrophysics Data System (ADS)

Mohajerani, Farzaneh; Perlmutter, Jason; Hagan, Michael

Bacterial microcompartments (BMCs) are large icosahedral shells that sequester the enzymes and reactants responsible for particular metabolic pathways in bacteria. Although different BMCs vary in size and encapsulate different cargoes, they are constructed from similar pentameric and hexameric shell proteins. Despite recent groundbreaking experiments which visualized the formation of individual BMCs, the detailed assembly pathways and the factors which control shell size remain unclear. In this talk, we describe theoretical and computational models that describe the dynamical encapsulation of hundreds of cargo molecules by self-assembling icosahedral shells. We present phase diagrams and analysis of dynamical simulation trajectories showing how the thermodynamics, assembly pathways, and emergent structures depend on the interactions among shell proteins and cargo molecules. Our model suggests a mechanism for controlling insertion of the 12 pentamers required for a closed shell topology, and the relationship between assembly pathway and BMC size polydispersity. In addition to elucidating how native BMCs assemble,our results establish principles for reengineering BMCs or viral capsids as customizable nanoreactors that can assemble around a programmable set of enzymes and reactants. Supported by NIH R01GM108021 and Brandeis MRSEC DMR-1420382.

Elastic stability of cylindrical shells with soft elastic cores: Biomimicking natural tubular structures

NASA Astrophysics Data System (ADS)

Karam, Gebran Nizar

1994-01-01

Thin walled cylindrical shell structures are widespread in nature: examples include plant stems, porcupine quills, and hedgehog spines. All have an outer shell of almost fully dense material supported by a low density, cellular core. In nature, all are loaded in combination of axial compression and bending: failure is typically by buckling. Natural structures are often optimized. Here we have analyzed the elastic buckling of a thin cylindrical shell supported by an elastic core to show that this structural configuration achieves significant weight saving over a hollow cylinder. The results of the analysis are compared with data from an extensive experimental program on uniaxial compression and four point bending tests on silicone rubber shells with and without compliant foam cores. The analysis describes the results of the mechanical tests well. Characterization of the microstructures of several natural tubular structures with foamlike cores (plant stems, quills, and spines) revealed them to be close to the optimal configurations predicted by the analytical model. Biomimicking of natural cylindrical shell structures and evolutionary design processes may offer the potential to increase the mechanical efficiency of engineering cylindrical shells.

Doubly stochastic Poisson processes in artificial neural learning.

PubMed

Card, H C

1998-01-01

This paper investigates neuron activation statistics in artificial neural networks employing stochastic arithmetic. It is shown that a doubly stochastic Poisson process is an appropriate model for the signals in these circuits.

Electron Transfer Dissociation with Supplemental Activation to Differentiate Aspartic and Isoaspartic Residues in Doubly Charged Peptide Cations

PubMed Central

Chan, Wai Yi Kelly; Chan, T. W. Dominic; O’Connor, Peter B.

2011-01-01

Electron-transfer dissociation (ETD) with supplemental activation of the doubly charged deamidated tryptic digested peptide ions allows differentiation of isoaspartic acid and aspartic acid residues using c + 57 or z• − 57 peaks. The diagnostic peak clearly localizes and characterizes the isoaspartic acid residue. Supplemental activation in ETD of the doubly charged peptide ions involves resonant excitation of the charge reduced precursor radical cations and leads to further dissociation, including extra backbone cleavages and secondary fragmentation. Supplemental activation is essential to obtain a high quality ETD spectrum (especially for doubly charged peptide ions) with sequence information. Unfortunately, the low-resolution of the ion trap mass spectrometer makes detection of the diagnostic peak for the aspartic acid residue difficult due to interference with side-chain loss from arginine and glutamic acid residues. PMID:20304674

The Doubly Labeled Water Method for Measuring Human Energy Expenditure: Adaptations for Spaceflight

NASA Technical Reports Server (NTRS)

Schulz, Leslie O.

1991-01-01

It is essential to determine human energy requirements in space, and the doubly labeled water method has been identified as the most appropriate means of indirect calorimetry to meet this need. The method employs naturally occurring, stable isotopes of hydrogen (H-2, deuterium) and oxygen (O-18) which, after dosing, mix with body water. The deuterium is lost from the body as water while the O-18 is eliminated as both water and CO2. The difference between the two isotope elimination rates is therefore a measure of CO2 production and hence energy expenditure. Spaceflight will present a unique challenge to the application of the doubly labeled water method. Specifically, interpretation of doubly labeled water results assumes that the natural abundance or 'background' levels of the isotopes remain constant during the measurement interval. To address this issue, an equilibration model will be developed in an ongoing ground-based study. As energy requirements of women matched to counterparts in the Astronauts Corps are being determined by doubly labeled water, the baseline isotope concentration will be changed by consumption of 'simulated Shuttle water' which is artificially enriched. One group of subjects will be equilibrated on simulated Shuttle water prior to energy determinations by doubly labeled water while the others will consume simulated Shuttle water after dosing. This process will allow us to derive a prediction equation to mathematically model the effect of changing background isotope concentrations.

Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function.

PubMed

Poelmans, Ward; Van Raemdonck, Mario; Verstichel, Brecht; De Baerdemacker, Stijn; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Alcoba, Diego R; Bultinck, Patrick; Van Neck, Dimitri

2015-09-08

We perform a direct variational determination of the second-order (two-particle) density matrix corresponding to a many-electron system, under a restricted set of the two-index N-representability P-, Q-, and G-conditions. In addition, we impose a set of necessary constraints that the two-particle density matrix must be derivable from a doubly occupied many-electron wave function, i.e., a singlet wave function for which the Slater determinant decomposition only contains determinants in which spatial orbitals are doubly occupied. We rederive the two-index N-representability conditions first found by Weinhold and Wilson and apply them to various benchmark systems (linear hydrogen chains, He, N2, and CN(-)). This work is motivated by the fact that a doubly occupied many-electron wave function captures in many cases the bulk of the static correlation. Compared to the general case, the structure of doubly occupied two-particle density matrices causes the associate semidefinite program to have a very favorable scaling as L(3), where L is the number of spatial orbitals. Since the doubly occupied Hilbert space depends on the choice of the orbitals, variational calculation steps of the two-particle density matrix are interspersed with orbital-optimization steps (based on Jacobi rotations in the space of the spatial orbitals). We also point to the importance of symmetry breaking of the orbitals when performing calculations in a doubly occupied framework.

Phosphate release coupled to rotary motion of F1-ATPase

PubMed Central

Okazaki, Kei-ichi; Hummer, Gerhard

2013-01-01

F1-ATPase, the catalytic domain of ATP synthase, synthesizes most of the ATP in living organisms. Running in reverse powered by ATP hydrolysis, this hexameric ring-shaped molecular motor formed by three αβ-dimers creates torque on its central γ-subunit. This reverse operation enables detailed explorations of the mechanochemical coupling mechanisms in experiment and simulation. Here, we use molecular dynamics simulations to construct a first atomistic conformation of the intermediate state following the 40° substep of rotary motion, and to study the timing and molecular mechanism of inorganic phosphate (Pi) release coupled to the rotation. In response to torque-driven rotation of the γ-subunit in the hydrolysis direction, the nucleotide-free αβE interface forming the “empty” E site loosens and singly charged Pi readily escapes to the P loop. By contrast, the interface stays closed with doubly charged Pi. The γ-rotation tightens the ATP-bound αβTP interface, as required for hydrolysis. The calculated rate for the outward release of doubly charged Pi from the αβE interface 120° after ATP hydrolysis closely matches the ∼1-ms functional timescale. Conversely, Pi release from the ADP-bound αβDP interface postulated in earlier models would occur through a kinetically infeasible inward-directed pathway. Our simulations help reconcile conflicting interpretations of single-molecule experiments and crystallographic studies by clarifying the timing of Pi exit, its pathway and kinetics, associated changes in Pi protonation, and changes of the F1-ATPase structure in the 40° substep. Important elements of the molecular mechanism of Pi release emerging from our simulations appear to be conserved in myosin despite the different functional motions. PMID:24062450

Improving the In-Medium Similarity Renormalization Group via approximate inclusion of three-body effects

NASA Astrophysics Data System (ADS)

Morris, Titus; Bogner, Scott

2015-10-01

The In-Medium Similarity Renormalization Group (IM-SRG) has been applied successfully not only to several closed shell finite nuclei, but has recently been used to produce effective shell model interactions that are competitive with phenomenological interactions in the SD shell. A recent alternative method for solving of the IM-SRG equations, called the Magnus expansion, not only provides a computationally feasible route to producing observables, but also allows for approximate handling of induced three-body forces. Promising results for several systems, including finite nuclei, will be presented and discussed.

Core excitations across the neutron shell gap in 207Tl

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilson, E.; Podolyák, Zs.; Grawe, H.

2015-05-05

The single closed-neutron-shell, one proton–hole nucleus 207Tl was populated in deep-inelastic collisions of a 208Pb beam with a 208Pb target. The yrast and near-yrast level scheme has been established up to high excitation energy, comprising an octupole phonon state and a large number of core excited states. Based on shell-model calculations, all observed single core excitations were established to arise from the breaking of the N=126 neutron core. While the shell-model calculations correctly predict the ordering of these states, their energies are compressed at high spins. It is concluded that this compression is an intrinsic feature of shell-model calculations usingmore » two-body matrix elements developed for the description of two-body states, and that multiple core excitations need to be considered in order to accurately calculate the energy spacings of the predominantly three-quasiparticle states.« less

Search for doubly-charged Higgs Boson production in the decay H ++ H -- → μ +μ +μ -μ - with the D0 detector at √s = 1.96-TeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zdrazil, Marian

2004-08-01

This work presents a search for the pair production of doubly-charged Higgs Bosons in the process pmore » $$\\bar{p}$$ → H ++H -- → μ +μ +μ -μ - using inclusive dimuon events. These data correspond to an integrated luminosity of about 113 pb 1 and were recorded by the D0 experiment between August 2002 and June 2003. In the absence of a signal, 95% confidence level mass limits of M(H$$±±\\atop{L}$$) > 118.6 GeV/c 2 and M(H R ±±) > 98.1 GeV/c 2 are set for left-handed and right-handed doubly-charged Higgs boson, assuming 100% branching into muons and hypercharge |Y| = 2 and Yukawa coupling h μμ > 10 -7. This is the first search for doubly-charged Higgs bosons at hadron colliders. It significantly extends the previous mass limit of 100.5 GeV/c 2 for a left-handed doubly-charged Higgs boson measured in the muon final states by the OPAL collaboration.« less

Electronic and Optical Properties of Core/Shell Pb16X16/Cd52X52 (X =S, Se, Te) Quantum Dots

NASA Astrophysics Data System (ADS)

Tamukong, Patrick; Mayo, Michael; Kilina, Svetlana

2015-03-01

The electronic and optoelectronic properties of semiconductor quantum dots (QDs) are mediated by surface defects due to the presence of dangling bonds producing trap states within the HOMO-LUMO energy gap, and contributing to fluorescence quenching. Surface capping ligands are generally used to alleviate this problem and increase the quantum yields of QDs. An alternative way is to synthesize core-shell QD structures; i.e., a QD core with a shell of another semiconductor material. We have investigated the effects of Cd52X52 shells on the photoexcited dynamics of Pb16X16 (X =S, Se, Te) QDs. The thin (~ 0.50 nm) shells were found to result largely in type I core/shell structures and a blue shift of the absorption spectra. Our studies revealed fairly strong core-shell hybridization in the electronic states close to the conduction band (CB) edge for Pb16S16andPb16Se16 cores, whereas for the Pb16Te16 core, such CB states were largely shell-like in nature. Nonadiabatic DFT-based dynamics, coupled with the surface hopping method, was used to study the effects of the core and shell compositions on energy relaxation rates in these systems.

Temporal variability in shell mound formation at Albatross Bay, northern Australia

PubMed Central

Petchey, Fiona; Allely, Kasey; Shiner, Justin I.; Bailey, Geoffrey

2017-01-01

We report the results of 212 radiocarbon determinations from the archaeological excavation of 70 shell mound deposits in the Wathayn region of Albatross Bay, Australia. This is an intensive study of a closely co-located group of mounds within a geographically restricted area in a wider region where many more shell mounds have been reported. Valves from the bivalve Tegillarca granosa (Linnaeus, 1758) were dated. The dates obtained are used to calculate rates of accumulation for the shell mound deposits. These demonstrate highly variable rates of accumulation both within and between mounds. We assess these results in relation to likely mechanisms of shell deposition and show that rates of deposition are affected by time-dependent processes both during the accumulation of shell deposits and during their subsequent deformation. This complicates the interpretation of the rates at which shell mound deposits appear to have accumulated. At Wathayn, there is little temporal or spatial consistency in the rates at which mounds accumulated. Comparisons between the Wathayn results and those obtained from shell deposits elsewhere, both in the wider Albatross Bay region and worldwide, suggest the need for caution when deriving behavioural inferences from shell mound deposition rates, and the need for more comprehensive sampling of individual mounds and groups of mounds. PMID:28854234

Post-buckling of a pressured biopolymer spherical shell with the mode interaction

NASA Astrophysics Data System (ADS)

Zhang, Lei; Ru, C. Q.

2018-03-01

Imperfection sensitivity is essential for mechanical behaviour of biopolymer shells characterized by high geometric heterogeneity. The present work studies initial post-buckling and imperfection sensitivity of a pressured biopolymer spherical shell based on non-axisymmetric buckling modes and associated mode interaction. Our results indicate that for biopolymer spherical shells with moderate radius-to-thickness ratio (say, less than 30) and smaller effective bending thickness (say, less than 0.2 times average shell thickness), the imperfection sensitivity predicted based on the axisymmetric mode without the mode interaction is close to the present results based on non-axisymmetric modes with the mode interaction with a small (typically, less than 10%) relative errors. However, for biopolymer spherical shells with larger effective bending thickness, the maximum load an imperfect shell can sustain predicted by the present non-axisymmetric analysis can be significantly (typically, around 30%) lower than those predicted based on the axisymmetric mode without the mode interaction. In such cases, a more accurate non-axisymmetric analysis with the mode interaction, as given in the present work, is required for imperfection sensitivity of pressured buckling of biopolymer spherical shells. Finally, the implications of the present study to two specific types of biopolymer spherical shells (viral capsids and ultrasound contrast agents) are discussed.

Stress state of a piecewise uniform layered space with doubly periodic internal cracks

NASA Astrophysics Data System (ADS)

Hakobyan, V. N.; Dashtoyan, L. L.

2018-04-01

The present paper deals with the stress state of a piecewise homogeneous plane formed by alternation junction of two distinct strips of equal height manufactured of different materials. There is a doubly periodic system of cracks on the plane. The governing system of singular integral equations of the first kind for the density of the crack dislocation is derived. The solution of the problem in the case where only one of the repeated strips contains one doubly-periodic crack is obtained by the method of mechanical quadratures.

Current advances in precious metal core-shell catalyst design.

PubMed

Wang, Xiaohong; He, Beibei; Hu, Zhiyu; Zeng, Zhigang; Han, Sheng

2014-08-01

Precious metal nanoparticles are commonly used as the main active components of various catalysts. Given their high cost, limited quantity, and easy loss of catalytic activity under severe conditions, precious metals should be used in catalysts at low volumes and be protected from damaging environments. Accordingly, reducing the amount of precious metals without compromising their catalytic performance is difficult, particularly under challenging conditions. As multifunctional materials, core-shell nanoparticles are highly important owing to their wide range of applications in chemistry, physics, biology, and environmental areas. Compared with their single-component counterparts and other composites, core-shell nanoparticles offer a new active interface and a potential synergistic effect between the core and shell, making these materials highly attractive in catalytic application. On one hand, when a precious metal is used as the shell material, the catalytic activity can be greatly improved because of the increased surface area and the closed interfacial interaction between the core and the shell. On the other hand, when a precious metal is applied as the core material, the catalytic stability can be remarkably improved because of the protection conferred by the shell material. Therefore, a reasonable design of the core-shell catalyst for target applications must be developed. We summarize the latest advances in the fabrications, properties, and applications of core-shell nanoparticles in this paper. The current research trends of these core-shell catalysts are also highlighted.

Variation in Orthologous Shell-Forming Proteins Contribute to Molluscan Shell Diversity

PubMed Central

Jackson, Daniel J.; Reim, Laurin; Randow, Clemens; Cerveau, Nicolas; Degnan, Bernard M.; Fleck, Claudia

2017-01-01

Abstract Despite the evolutionary success and ancient heritage of the molluscan shell, little is known about the molecular details of its formation, evolutionary origins, or the interactions between the material properties of the shell and its organic constituents. In contrast to this dearth of information, a growing collection of molluscan shell-forming proteomes and transcriptomes suggest they are comprised of both deeply conserved, and lineage specific elements. Analyses of these sequence data sets have suggested that mechanisms such as exon shuffling, gene co-option, and gene family expansion facilitated the rapid evolution of shell-forming proteomes and supported the diversification of this phylum specific structure. In order to further investigate and test these ideas we have examined the molecular features and spatial expression patterns of two shell-forming genes (Lustrin and ML1A2) and coupled these observations with materials properties measurements of shells from a group of closely related gastropods (abalone). We find that the prominent “GS” domain of Lustrin, a domain believed to confer elastomeric properties to the shell, varies significantly in length between the species we investigated. Furthermore, the spatial expression patterns of Lustrin and ML1A2 also vary significantly between species, suggesting that both protein architecture, and the regulation of spatial gene expression patterns, are important drivers of molluscan shell evolution. Variation in these molecular features might relate to certain materials properties of the shells of these species. These insights reveal an important and underappreciated source of variation within shell-forming proteomes that must contribute to the diversity of molluscan shell phenotypes. PMID:28961798

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eriksen, Janus J., E-mail: janusje@chem.au.dk; Jørgensen, Poul; Matthews, Devin A.

The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of which augment the coupled cluster singles and doubles (CCSD) energy by a non-iterative correction for the effect of triple excitations. Namely, the second- through sixth-order models of the recently proposed CCSD(T–n) triples series [J. J. Eriksen et al., J. Chem. Phys. 140, 064108 (2014)] are compared to the acclaimed CCSD(T) model for both unrestricted as well as restricted open-shell Hartree-Fock (UHF/ROHF) reference determinants. By comparing UHF- and ROHF-based statistical results for a test setmore » of 18 modest-sized open-shell species with comparable RHF-based results, no behavioral differences are observed for the higher-order models of the CCSD(T–n) series in their correlated descriptions of closed- and open-shell species. In particular, we find that the convergence rate throughout the series towards the coupled cluster singles, doubles, and triples (CCSDT) solution is identical for the two cases. For the CCSD(T) model, on the other hand, not only its numerical consistency, but also its established, yet fortuitous cancellation of errors breaks down in the transition from closed- to open-shell systems. The higher-order CCSD(T–n) models (orders n > 3) thus offer a consistent and significant improvement in accuracy relative to CCSDT over the CCSD(T) model, equally for RHF, UHF, and ROHF reference determinants, albeit at an increased computational cost.« less

Mass spectra and radiative transitions of doubly heavy baryons in a relativized quark model

NASA Astrophysics Data System (ADS)

Lü, Qi-Fang; Wang, Kai-Lei; Xiao, Li-Ye; Zhong, Xian-Hui

2017-12-01

We study the mass spectra and radiative decays of doubly heavy baryons within the diquark picture in a relativized quark model. The mass of the JP=1 /2+ Ξc c ground state is predicted to be 3606 MeV, which is consistent with the mass of Ξcc ++(3621 ) newly observed by the LHCb Collaboration. The predicted mass gap between two S -wave states, Ξcc * (JP=3 /2+) and Ξc c (JP=1 /2+), is 69 MeV. Furthermore, the radiative transitions of doubly heavy baryons are also estimated by using the realistic wave functions obtained from relativized quark model. The radiative decay widths of Ξcc *++→Ξcc ++γ and Ξcc *+→Ξcc +γ are predicted to be about 7 and 4 keV, respectively. These predictions of doubly heavy baryons can provide helpful information for future experimental searches.

Doubly charged coronene clusters—Much smaller than previously observed

NASA Astrophysics Data System (ADS)

Mahmoodi-Darian, Masoomeh; Raggl, Stefan; Renzler, Michael; Goulart, Marcelo; Huber, Stefan E.; Mauracher, Andreas; Scheier, Paul; Echt, Olof

2018-05-01

The smallest doubly charged coronene cluster ions reported so far, Cor152+, were produced by charge exchange between bare coronene clusters and He2+ [H. A. B. Johansson et al., Phys. Rev. A 84, 043201 (2011)]. These dications are at least five times larger than the estimated Rayleigh limit, i.e., the size at which the activation barrier for charge separation vanishes. Such a large discrepancy is unheard of for doubly charged atomic or molecular clusters. Here we report the mass spectrometric observation of doubly charged coronene trimers, produced by electron ionization of helium nanodroplets doped with coronene. The observation implies that Cor32+ features a non-zero fission barrier too large to overcome under the present experimental conditions. The height of the barriers for the dimer and trimer has been estimated by means of density functional theory calculations. A sizeable barrier for the trimer has been revealed in agreement with the experimental findings.

Searching for the doubly charged scalars in the Georgi-Machacek model via γγ collisions at the ILC

NASA Astrophysics Data System (ADS)

Cao, Jun; Li, Yu-Qi; Liu, Yao-Bei

2018-04-01

The Georgi-Machacek (GM) model predicts the existence of the doubly-charged scalars H5±±, which can be seen the typical particles in this model and their diboson decay channels are one of the most promising ways to discover such new doubly-charged scalars. Based on the constraints of the latest combined ATLAS and CMS Higgs boson diphoton signal strength data at 2σ confidence level, we focus on the study of the triple scalar production in γγ collisions at the future International Linear collider (ILC): γγ → hH5++H 5‑‑, where the production cross-sections are very sensitive to the triple scalar coupling parameter ghHH. Considering the typical same-sign diboson decay modes for the doubly-charged scalars, the possible final signals might be detected via this process at the future ILC experiments.

Shell structure and distribution of Cloudina, a potential index fossil for the terminal Proterozoic

NASA Technical Reports Server (NTRS)

Grant, S. W.; Knoll, A. H. (Principal Investigator)

1990-01-01

Cloudina-bearing biosparites and biomicrites in the lower part of the Nama Group, Namibia, contain a wide morphological diversity of shell fragments that can all be attributed to the two named species C. hartmannae and C. riemkeae. The curved to sinuous tubular shells of Cloudina were multi-layered. Each shell layer was 8 to 50 micrometers thick and in the form of a slightly flaring tube with one end open and the other closed. Growth appears to have been periodic with successive shell layers forming within older layers. Each added layer was slightly elevated from the previous layer at the proximal end and was asymmetrically placed within the older layer so that only a portion of the new shell layer was fused to the previous layer. This type of growth left a relatively large unminerialized area between the shell layers which was often partially or fully occluded by early marine cements. The thin shell layers exhibit both plastic and brittle deformation and were likely formed of a rigid CaCO3-impregnated organic-rich material. Often the shell layers are preferentially dolomitized suggesting an original mineralogy of high-magnesian calcite. Both species in the Nama Group formed thickets, or perhaps bioherms, and this sedentary and gregarious habit suggests that Cloudina was probably a filter-feeding metazoan of at least a cnidarian grade of organization. The unusual shell structure of Cloudina gives rise to a characteristic suite of taphonomic and diagenetic features that can be used to identify Cloudina-bearing deposits within the Nama Group and in other terminal Proterozoic deposits around the world. Species of Cloudina occur in limestones from Brazil, Spain, China, and Oman in sequences consistent with a latest Proterozoic age assignment. In addition, supposed lower Cambrian, pre-trilobitic, shelly fossils from northwest Mexico and the White-Inyo Mountains in California and Nevada, including Sinotubulites, Nevadatubulus, and Wyattia, are all either closely related to or con-generic with Cloudina. Hence, it is probable that these outcrops are latest Proterozoic in age, and that Cloudina or Cloudina-like organisms were widely distributed at that time. It is possible, moreover, to suggest that metazoan biomineralization occurred on a global scale by the latest Proterozoic, at the same time that evidence for complex multicellularity and locomotion in animals appears in siliciclastic "Ediacaran" rocks in the form of body and trace fossils.

The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons

NASA Astrophysics Data System (ADS)

Yang, Huihui; Chen, Hongshan

2017-07-01

The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspond to the magic numbers and will show specific stabilities. We explore in detail the geometric structures, stabilities and electronic structures of Al-Mg clusters containing 18 and 20 valence electrons by using genetic algorithm combined with density functional theories. The stabilities of the clusters are governed by the electronic configurations and Mg/Al ratios. The clusters with lower Mg/Al ratios are more stable. The molecular orbitals accord with the shell structures predicted by the jellium model but the 2S level interweaves with the 1D levels and the 2S and 1D orbitals form a subgroup. The clusters having 20 valence electrons form closed 1S21P61D102S2 shells and show enhanced stability. The Al-Mg clusters with a valence electron count of 18 do not form closed shells because one 1D orbital is unoccupied. The ionization potential and electron affinity are closely related to the electronic configurations; their values are determined by the subgroups the HOMO or LUMO belong to. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80042-9

Hard sphere packings within cylinders.

PubMed

Fu, Lin; Steinhardt, William; Zhao, Hao; Socolar, Joshua E S; Charbonneau, Patrick

2016-03-07

Arrangements of identical hard spheres confined to a cylinder with hard walls have been used to model experimental systems, such as fullerenes in nanotubes and colloidal wire assembly. Finding the densest configurations, called close packings, of hard spheres of diameter σ in a cylinder of diameter D is a purely geometric problem that grows increasingly complex as D/σ increases, and little is thus known about the regime for D > 2.873σ. In this work, we extend the identification of close packings up to D = 4.00σ by adapting Torquato-Jiao's adaptive-shrinking-cell formulation and sequential-linear-programming (SLP) technique. We identify 17 new structures, almost all of them chiral. Beyond D ≈ 2.85σ, most of the structures consist of an outer shell and an inner core that compete for being close packed. In some cases, the shell adopts its own maximum density configuration, and the stacking of core spheres within it is quasiperiodic. In other cases, an interplay between the two components is observed, which may result in simple periodic structures. In yet other cases, the very distinction between the core and shell vanishes, resulting in more exotic packing geometries, including some that are three-dimensional extensions of structures obtained from packing hard disks in a circle.

Role of a large marine protected area for conserving landscape attributes of sand habitats on Georges Bank (NW Atlantic)

USGS Publications Warehouse

Lindholm, J.; Auster, P.; Valentine, P.

2004-01-01

Mobile fishing gear reduces seafloor habitat complexity through the removal of structure-building fauna, e.g. emergent organisms that create pits and burrows, as well as by smoothing of sedimentary bedforms (e.g. sand ripples). In this study, we compared the relative abundance of microhabitat features (the scale at which individual fish associate with seafloor habitat) inside and outside of a large fishery closed area (6917 km2) on Georges Bank. Starting in late 1994, the closed area excluded all bottom tending fishing gear capable of capturing demersal fishes. A total of 32 stations were selected inside and outside of the closed area in sand habitats. Video and still photographic transects were conducted at each station using the Seabed Observation and Sampling System (SEABOSS). Seven common (i.e. featureless sand, rippled sand, sand with emergent fauna, bare gravelly sand, gravelly sand with attached-erect fauna, whole shell, shell fragment) and 2 rare (sponges, biogenic depressions) microhabitat types were compared separately. Results showed significant differences in the relative abundance of the shell fragment and sponge microhabitat types between fished and unfished areas. The lack of differences for the other microhabitats may indicate that the level of fishing activity in the area is matched by the system's ability to recover.

HF in clusters of molecular hydrogen. I. Size evolution of quantum solvation by parahydrogen molecules.

PubMed

Jiang, Hao; Bacić, Zlatko

2005-06-22

We present a theoretical study of the quantum solvation of the HF molecule by a small number of parahydrogen molecules, having n = 1-13 solvent particles. The minimum-energy cluster structures determined for n = 1-12 have all of the H(2) molecules in the first solvent shell. The first solvent shell closes at n = 12 and its geometry is icosahedral, with the HF molecule at the center. The quantum-mechanical ground-state properties of the clusters are calculated exactly using the diffusion Monte Carlo method. The zero-point energy of (p-H(2))(n)HF clusters is unusually large, amounting to 86% of the potential well depth for n > 7. The radial probability distribution functions (PDFs) confirm that the first solvent shell is complete for n = 12, and that the 13th p-H(2) molecule begins to fill the second solvent shell. The p-H(2) molecules execute large-amplitude motions and are highly mobile, making the solvent cage exceptionally fluxional. The anisotropy of the solvent, very pronounced for small clusters, decreases rapidly with increasing n, so that for n approximately 8-9 the solvent environment is practically isotropic. The analysis of the pair angular PDF reveals that for a given n, the parahydrogen solvent density around the HF is modulated in a pattern which clearly reflects the lowest-energy cluster configuration. The rigidity of the solvent clusters displays an interesting size dependence, increasing from n = 6 to 9, becoming floppier for n = 10, and increasing again up to n = 12, as the solvent shell is filled. The rigidity of the solvent cage appears to reach its maximum for n = 12, the point at which the first solvent shell is closed.

Controlling microtube permeability via grafted polymers and solvent quality.

PubMed

Suo, Tongchuan; Whitmore, Mark D

2014-03-21

We examine pressure-driven flow through a microtube with grafted polymers using a "doubly self-consistent field" steady-state theory. Our focus is on the structure of the polymer layer, the tube permeability, and the effects of solvent quality, for different regimes of open and closed tubes. We find that, within experimentally attainable pressure gradients, the flow has very little effect on the grafted layer. However, the polymers, and in particular variations in the solvent quality and cylinder radii, can have large effects on the flow. We find that the permeability can either increase or decrease with either the radius or solvent quality, and we identify the regimes for different behaviors in terms of general parameters that can be used to generalize to other systems. This allows us to identify regimes where the systems are most sensitive to these "tuning" parameters, and we find that they correspond to the boundaries between open and closed tubes identified earlier.

A silicon micromachined resonant pressure sensor

NASA Astrophysics Data System (ADS)

Tang, Zhangyang; Fan, Shangchun; Cai, Chenguang

2009-09-01

This paper describes the design, fabrication and test of a silicon micromachined resonant pressure sensor. A square membrane and a doubly clamped resonant beam constitute a compound structure. The former senses the pressure directly, while the latter changes its resonant frequency according to deformation of the membrane. The final output relation between the resonant frequency and the applied pressure is deducted according to the structure mechanical properties. Sensors are fabricated by micromachining technology, and then sealed in vaccum. These sensors are tested by open-loop and close-loop system designed on purpose. The experiment results demonstrate that the sensor has a sensitivity of 49.8Hz/kPa and repeatability of 0.08%.

Misfit stresses in a composite core-shell nanowire with an eccentric parallelepipedal core subjected to one-dimensional cross dilatation eigenstrain

NASA Astrophysics Data System (ADS)

Krasnitckii, S. A.; Kolomoetc, D. R.; Smirnov, A. M.; Gutkin, M. Yu

2017-05-01

The boundary-value problem in the classical theory of elasticity for a core-shell nanowire with an eccentric parallelepipedal core of an arbitrary rectangular cross section is solved. The core is subjected to one-dimensional cross dilatation eigenstrain. The misfit stresses are given in a closed analytical form suitable for theoretical modeling of misfit accommodation in relevant heterostructures.

Study of clusters using negative ion photodetachment spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Yuexing

1995-12-01

The weak van der Waals interaction between an open-shell halogen atom and a closed-shell atom or molecule has been investigated using zero electron kinetic energy (ZEKE) spectroscopy. This technique is also applied to study the low-lying electronic states in GaAs and GaAs -. In addition, the spectroscopy and electron detachment dynamics of several small carbon cluster anions are studied using resonant multiphoton detachment spectroscopy.

The equivalence of Darmois-Israel and distributional method for thin shells in general relativity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mansouri, R.; Khorrami, M.

1996-11-01

A distributional method to solve the Einstein{close_quote}s field equations for thin shells is formulated. The familiar field equations and jump conditions of Darmois-Israel formalism are derived. A careful analysis of the Bianchi identities shows that, for cases under consideration, they make sense as distributions and lead to jump conditions of Darmois-Israel formalism. {copyright} {ital 1996 American Institute of Physics.}

Resonant Vibrations and Vibrational Heating of Physically Nonlinear Viscoelastic Shells and Their Damping Using Piezoelectric Sensor and Actuator

NASA Astrophysics Data System (ADS)

Kirichok, I. F.

2017-09-01

Forced axisymmetric resonant vibrations and vibrational heating of viscoelastic, physically nonlinear, closed, spherical, and infinitely long cylindrical shells and ring with piezoelectric sensor and actuator are considered. The effect of physical nonlinearity of passive material on the vibration amplitude and vibrational heating temperature is studied. The possibility of active damping of vibrations by piezoelectric sensors and actuators is demonstrated.

Valve assembly for use with high temperature and high pressure fluids

DOEpatents

De Feo, Angelo

1982-01-01

The valve assembly for use with high temperature and high pressure fluids has inner and outer spaced shells and a valve actuator support of inner and outer spaced members which are connected at their end portions to the inner and outer shells, respectively, to extend substantially normal to the longitudinal axis of the inner shell. A layer of resilient heat insulating material covers the outer surfaces of the inner shell and the inner actuator support member and is of a thickness to only occupy part of the spaces between the inner and outer shells and inner and outer actuator support members. The remaining portion of the space between the inner and outer shells and the space between the inner and outer members is substantially filled with a body of castable, rigid refractory material. A movable valve member is disposed in the inner shell. A valve actuator assembly is supported in the valve actuator support to extend into the inner shell for connection with the movable valve member for movement of the movable valve member to positions from a fully open to a fully closed position to control flow of fluid through the inner shell. An anchor mneans is disposed adjacent opposite sides of the axis of the valve actuator support and attached to the inner shell so that relative radial movement between the inner and outer shell is permitted by the layer of resilient heat insulating material and relative longitudinal movement of the inner shell to the outer shell is permitted in opposite directions from the anchor means to thereby maintain the functional integrity of the movable valve member by providing an area of the inner shell surrounding the movable valve member longitdinally stationary, but at the same time allowing radial movement.

Dissolution Dominating Calcification Process in Polar Pteropods Close to the Point of Aragonite Undersaturation

PubMed Central

Bednaršek, Nina; Tarling, Geraint A.; Bakker, Dorothee C. E.; Fielding, Sophie; Feely, Richard A.

2014-01-01

Thecosome pteropods are abundant upper-ocean zooplankton that build aragonite shells. Ocean acidification results in the lowering of aragonite saturation levels in the surface layers, and several incubation studies have shown that rates of calcification in these organisms decrease as a result. This study provides a weight-specific net calcification rate function for thecosome pteropods that includes both rates of dissolution and calcification over a range of plausible future aragonite saturation states (Ωar). We measured gross dissolution in the pteropod Limacina helicina antarctica in the Scotia Sea (Southern Ocean) by incubating living specimens across a range of aragonite saturation states for a maximum of 14 days. Specimens started dissolving almost immediately upon exposure to undersaturated conditions (Ωar∼0.8), losing 1.4% of shell mass per day. The observed rate of gross dissolution was different from that predicted by rate law kinetics of aragonite dissolution, in being higher at Ωar levels slightly above 1 and lower at Ωar levels of between 1 and 0.8. This indicates that shell mass is affected by even transitional levels of saturation, but there is, nevertheless, some partial means of protection for shells when in undersaturated conditions. A function for gross dissolution against Ωar derived from the present observations was compared to a function for gross calcification derived by a different study, and showed that dissolution became the dominating process even at Ωar levels close to 1, with net shell growth ceasing at an Ωar of 1.03. Gross dissolution increasingly dominated net change in shell mass as saturation levels decreased below 1. As well as influencing their viability, such dissolution of pteropod shells in the surface layers will result in slower sinking velocities and decreased carbon and carbonate fluxes to the deep ocean. PMID:25285916

Dissolution dominating calcification process in polar pteropods close to the point of aragonite undersaturation.

PubMed

Bednaršek, Nina; Tarling, Geraint A; Bakker, Dorothee C E; Fielding, Sophie; Feely, Richard A

2014-01-01

Thecosome pteropods are abundant upper-ocean zooplankton that build aragonite shells. Ocean acidification results in the lowering of aragonite saturation levels in the surface layers, and several incubation studies have shown that rates of calcification in these organisms decrease as a result. This study provides a weight-specific net calcification rate function for thecosome pteropods that includes both rates of dissolution and calcification over a range of plausible future aragonite saturation states (Ω(ar)). We measured gross dissolution in the pteropod Limacina helicina antarctica in the Scotia Sea (Southern Ocean) by incubating living specimens across a range of aragonite saturation states for a maximum of 14 days. Specimens started dissolving almost immediately upon exposure to undersaturated conditions (Ω(ar) ∼ 0.8), losing 1.4% of shell mass per day. The observed rate of gross dissolution was different from that predicted by rate law kinetics of aragonite dissolution, in being higher at Ω(ar) levels slightly above 1 and lower at Ω(ar) levels of between 1 and 0.8. This indicates that shell mass is affected by even transitional levels of saturation, but there is, nevertheless, some partial means of protection for shells when in undersaturated conditions. A function for gross dissolution against Ω(ar) derived from the present observations was compared to a function for gross calcification derived by a different study, and showed that dissolution became the dominating process even at Ω(ar) levels close to 1, with net shell growth ceasing at an Ω(ar) of 1.03. Gross dissolution increasingly dominated net change in shell mass as saturation levels decreased below 1. As well as influencing their viability, such dissolution of pteropod shells in the surface layers will result in slower sinking velocities and decreased carbon and carbonate fluxes to the deep ocean.

Measurement of Doubly Charged Ions in Ion Thruster Plumes

NASA Technical Reports Server (NTRS)

Williams, George J., Jr.; Domonkos, Matthew T.; Chavez, Joy M.

2002-01-01

The ratio of doubly to singly charged ions was measured in the plumes of a 30 cm and of a 40 cm ion thruster. The measured ratio was correlated with observed erosion rates and thruster operating conditions. The measured and calculated erosion rates paralleled variation in the j(sup ++)/j(sup +) ratio and indicated that the erosion was dominated by Xe III. Simple models of cathode potential surfaces which were developed in support of this work were in agreement with this conclusion and provided a predictive capability of the erosion given the ratio of doubly to singly charged ion currents.

Computation of Thin-Walled Prismatic Shells

NASA Technical Reports Server (NTRS)

Vlasov, V. Z.

1949-01-01

We consider a prismatic shell consisting of a finite number of narrow rectangular plates and having in the cross-section a finite number of closed contours (fig. 1(a)). We shall assume that the rectangular plates composing the shell are rigidly joined so that there is no motion of any kind of one plate relative to the others meeting at a given connecting line. The position of a point on the middle prismatic surface is considered to be defined by the coordinate z, the distance to a certain initial cross-section z = O, end the coordinate s determining its position on the contour of the cross-section.

The relationship between the First World War and neurology: 100 years of "Shell Shock".

PubMed

Pedroso, José Luiz; Linden, Stefanie C; Barsottini, Orlando G; Maranhão, Péricles; Lees, Andrew J

2017-05-01

The First World War was a global war, beginning on 28 July 1914, until 11 November 1918. Soon after the beginning of the war, there was an "epidemic" of neurological conversion symptoms. Soldiers on both sides started to present in large numbers with neurological symptoms, such as dizziness, tremor, paraplegia, tinnitus, amnesia, weakness, headache and mutism of psychosomatic origin. This condition was known as shell shock, or "war neurosis". Because medically unexplained symptoms remain a major challenge, and considering the close relationship of symptoms described in shell shock with clinical neurology, we should study their history in order to improve future care.

Interacting supernovae from photoionization-confined shells around red supergiant stars

NASA Astrophysics Data System (ADS)

Mackey, Jonathan; Mohamed, Shazrene; Gvaramadze, Vasilii V.; Kotak, Rubina; Langer, Norbert; Meyer, Dominique M.-A.; Moriya, Takashi J.; Neilson, Hilding R.

2014-08-01

Betelgeuse, a nearby red supergiant, is a fast-moving star with a powerful stellar wind that drives a bow shock into its surroundings. This picture has been challenged by the discovery of a dense and almost static shell that is three times closer to the star than the bow shock and has been decelerated by some external force. The two physically distinct structures cannot both be formed by the hydrodynamic interaction of the wind with the interstellar medium. Here we report that a model in which Betelgeuse's wind is photoionized by radiation from external sources can explain the static shell without requiring a new understanding of the bow shock. Pressure from the photoionized wind generates a standing shock in the neutral part of the wind and forms an almost static, photoionization-confined shell. Other red supergiants should have much more massive shells than Betelgeuse, because the photoionization-confined shell traps up to 35 per cent of all mass lost during the red supergiant phase, confining this gas close to the star until it explodes. After the supernova explosion, massive shells dramatically affect the supernova light curve, providing a natural explanation for the many supernovae that have signatures of circumstellar interaction.

Interacting supernovae from photoionization-confined shells around red supergiant stars.

PubMed

Mackey, Jonathan; Mohamed, Shazrene; Gvaramadze, Vasilii V; Kotak, Rubina; Langer, Norbert; Meyer, Dominique M-A; Moriya, Takashi J; Neilson, Hilding R

2014-08-21

Betelgeuse, a nearby red supergiant, is a fast-moving star with a powerful stellar wind that drives a bow shock into its surroundings. This picture has been challenged by the discovery of a dense and almost static shell that is three times closer to the star than the bow shock and has been decelerated by some external force. The two physically distinct structures cannot both be formed by the hydrodynamic interaction of the wind with the interstellar medium. Here we report that a model in which Betelgeuse's wind is photoionized by radiation from external sources can explain the static shell without requiring a new understanding of the bow shock. Pressure from the photoionized wind generates a standing shock in the neutral part of the wind and forms an almost static, photoionization-confined shell. Other red supergiants should have much more massive shells than Betelgeuse, because the photoionization-confined shell traps up to 35 per cent of all mass lost during the red supergiant phase, confining this gas close to the star until it explodes. After the supernova explosion, massive shells dramatically affect the supernova light curve, providing a natural explanation for the many supernovae that have signatures of circumstellar interaction.

Plasma Radiation Source on the Basis of the Gas Puff with Outer Plasma Shell in the Circuit of a Mega-Ampere Load Current Doubler

NASA Astrophysics Data System (ADS)

Kokshenev, V. A.; Labetsky, A. Yu.; Shishlov, A. V.; Kurmaev, N. E.; Fursov, F. I.; Cherdizov, R. K.

2017-12-01

Characteristics of Z-pinch plasma radiation in the form of a double shell neon gas puff with outer plasma shell are investigated in the microsecond implosion mode. Experiments are performed using a GIT-12 mega-joule generator with load current doubler having a ferromagnetic core at implosion currents up to 5 MA. Conditions for matching of the nonlinear load with the mega-ampere current multiplier circuit are determined. The load parameters (plasma shell characteristics and mass and geometry of gas puff shells) are optimized on the energy supplied to the gas puff and n energy characteristics of radiation. It is established that the best modes of K-shell radiation in neon are realized for such radial distribution of the gas-puff material at which the compression velocity of the shell is close to a constant and amounts to 27-30 cm/μs. In these modes, up to 40% of energy supplied to the gas puff is converted into K-shell radiation. The reasons limiting the efficiency of the radiation source with increasing implosion current are analyzed. A modernized version of the energy supply from the current doubler to the Z-pinch is proposed.

Mussel Shell Evaluation as Bioindicator For Heavy Metals

NASA Astrophysics Data System (ADS)

Andrello, Avacir Casanova; Lopes, Fábio; Galvão, Tiago Dutra

2010-05-01

Recently, in Brazil, it has appeared a new and unusual "plague" in lazer and commercial fishing. It is caused by the parasitic larval phase of certain native bivalve mollusks of fresh water known as "Naiades" and its involves the presence of big bivalve of fresh water, mainly Anodontites trapesialis, in the tanks and dams of the fish creation. These bivalve mollusks belong to the Unionoida Order, Mycetopodidae Family. The objective of the present work was to analyze the shells of these mollusks to verify the possibility of use as bioindicators for heavy metals in freshwater. The mollusks shells were collected in a commercial fishing at Londrina-PR. A qualitative analysis was made to determine the chemical composition of the shells and verify a possible correlation with existent heavy metals in the aquatic environment. In the inner part of the shells were identified the elements Ca, P, Fe, Mn and Sr and in the outer part were identified Ca, P, Fe, Mn, Sr and Cu. The Ca ratio of the outer part by inner part of the analyzed shells is around of 1, as expected, because Ca is the main compound of mollusks shells. The ratio of P, Fe, Mn, and Sr to the Ca were constant in all analyzed shells, being close to 0.015. The ratio Cu/Ca varied among the shells, showing that this mollusk is sensitive to concentration of this element in the aquatic environment.

Thesis - keeping the management system {open_quotes}live{close_quotes} and reaching the workforce

DOE Office of Scientific and Technical Information (OSTI.GOV)

Primrose, M.J.; Bentley, P.D.; Graaf, G.C. van der

1996-12-31

Previous papers given to SPE conferences have described the Shell Group approach to Safety Management Systems and to Safety Cases. Their extension to HSE MS and to HSE Cases has also been addressed. Since 1984 the Enhanced Safety Management (ESM) programme within Shell companies has led to a significant improvement in the management of safety but it was only when structured management systems (based upon an understanding of the business processes) were introduced that true integration of HSE as a line responsibility became a reality. This paper describes the THESIS software package and the way that management systems have beenmore » made {open_quote}live{close_quote} and how workforce involvement can be demonstrated.« less

Variation in Orthologous Shell-Forming Proteins Contribute to Molluscan Shell Diversity.

PubMed

Jackson, Daniel J; Reim, Laurin; Randow, Clemens; Cerveau, Nicolas; Degnan, Bernard M; Fleck, Claudia

2017-11-01

Despite the evolutionary success and ancient heritage of the molluscan shell, little is known about the molecular details of its formation, evolutionary origins, or the interactions between the material properties of the shell and its organic constituents. In contrast to this dearth of information, a growing collection of molluscan shell-forming proteomes and transcriptomes suggest they are comprised of both deeply conserved, and lineage specific elements. Analyses of these sequence data sets have suggested that mechanisms such as exon shuffling, gene co-option, and gene family expansion facilitated the rapid evolution of shell-forming proteomes and supported the diversification of this phylum specific structure. In order to further investigate and test these ideas we have examined the molecular features and spatial expression patterns of two shell-forming genes (Lustrin and ML1A2) and coupled these observations with materials properties measurements of shells from a group of closely related gastropods (abalone). We find that the prominent "GS" domain of Lustrin, a domain believed to confer elastomeric properties to the shell, varies significantly in length between the species we investigated. Furthermore, the spatial expression patterns of Lustrin and ML1A2 also vary significantly between species, suggesting that both protein architecture, and the regulation of spatial gene expression patterns, are important drivers of molluscan shell evolution. Variation in these molecular features might relate to certain materials properties of the shells of these species. These insights reveal an important and underappreciated source of variation within shell-forming proteomes that must contribute to the diversity of molluscan shell phenotypes. © The Author 2017. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

Revisiting chameleon gravity: Thin-shell and no-shell fields with appropriate boundary conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tamaki, Takashi; Department of Physics, Rikkyo University, Toshima, Tokyo 171-8501; Tsujikawa, Shinji

2008-10-15

We derive analytic solutions of a chameleon scalar field {phi} that couples to a nonrelativistic matter in the weak gravitational background of a spherically symmetric body, paying particular attention to a field mass m{sub A} inside of the body. The standard thin-shell field profile is recovered by taking the limit m{sub A}r{sub c}{yields}{infinity}, where r{sub c} is a radius of the body. We show the existence of 'no-shell' solutions where the field is nearly frozen in the whole interior of the body, which does not necessarily correspond to the 'zero-shell' limit of thin-shell solutions. In the no-shell case, under themore » condition m{sub A}r{sub c}>>1, the effective coupling of {phi} with matter takes the same asymptotic form as that in the thin-shell case. We study experimental bounds coming from the violation of equivalence principle as well as solar-system tests for a number of models including f(R) gravity and find that the field is in either the thin-shell or the no-shell regime under such constraints, depending on the shape of scalar-field potentials. We also show that, for the consistency with local gravity constraints, the field at the center of the body needs to be extremely close to the value {phi}{sub A} at the extremum of an effective potential induced by the matter coupling.« less

Description of two new Jujubinus species (Gastropoda: Trochidae) from the Sicily Channel, with notes on the Jujubinus curinii species complex.

PubMed

Smriglio, Carlo; Di Giulio, Andrea; Mariottini, Paolo

2014-06-17

Based on shell characters, two new species of the gastropod family Trochidae, Jujubinus eleonorae n. sp. and Jujubinus trilloi n. sp., from the Sicily Channel are described. Shells of the new taxa were collected in the lower infralittoral of the Skerki and Talbot Banks, respectively. The new taxa are compared with Jujubinus curinii Bogi & Campani, 2005, morphologically the most closely related species.

Gas phase reactions of doubly charged alkaline earth and transition metal(II)-ligand complexes generated by electrospray ionization

NASA Astrophysics Data System (ADS)

Kohler, Martin; Leary, Julie A.

1997-03-01

Doubly charged metal(II)-complexes of [alpha] 1-3, [alpha] 1-6 mannotriose and the conserved trimannosyl core pentasaccharide as well as doubly charged complexes of Co(II), Mn(II), Ca(II) and Sr(II) with acetonitrile generated by electrospray ionization were studied by low energy collision induced dissociation (CID). Two main fragmentation pathways were observed for the metal(II)-oligosaccharide complexes. Regardless of the coordinating metal, loss of a neutral dehydrohexose residue (162 Da) from the doubly charged precursor ion is observed, forming a doubly charged product ion. However, if the oligosaccharide is coordinated to Co(II) or Mn(II), loss of a dehydroxyhexose cation is also observed. Investigation of the low mass region of the mass spectra of the metal coordinated oligosaccharides revealed intense signals corresponding to [metal(II) + (CH3CN)n2+ (where n = 1-6) species which were being formed by the metal(II) ions and the acetonitrile present in the sample. Analysis of these metal(II)-acetonitrile complexes provided further insight into the processes occurring upon low energy CID of doubly charged metal complexes. The metal(II)-acetonitrile system showed neutral loss and ligand cleavage as observed with the oligosaccharide complexes, as well as a series of six different dissociation mechanisms, most notable among them reduction from [metal(II) + (CH3CN)n2+ to the bare [metal(I)]+ species by electron transfer. Depending on the metal and collision gas chosen, one observes electron transfer from the ligand to the metal, electron transfer from the collision gas to the metal, proton transfer between ligands, heterolytic cleavage of the ligands, reactive collisions and loss of neutral ligands.

The Magellania venosa Biomineralizing Proteome: A Window into Brachiopod Shell Evolution

PubMed Central

Jackson, Daniel J.; Mann, Karlheinz; Häussermann, Vreni; Schilhabel, Markus B.; Lüter, Carsten; Griesshaber, Erika; Schmahl, Wolfgang; Wörheide, Gert

2015-01-01

Brachiopods are a lineage of invertebrates well known for the breadth and depth of their fossil record. Although the quality of this fossil record attracts the attention of paleontologists, geochemists, and paleoclimatologists, modern day brachiopods are also of interest to evolutionary biologists due to their potential to address a variety of questions ranging from developmental biology to biomineralization. The brachiopod shell is a composite material primarily composed of either calcite or calcium phosphate in close association with proteins and polysaccharides which give these composite structures their material properties. The information content of these biomolecules, sequestered within the shell during its construction, has the potential to inform hypotheses focused on describing how brachiopod shell formation evolved. Here, using high throughput proteomic approaches and next generation sequencing, we have surveyed and characterized the first shell-proteome and shell-forming transcriptome of any brachiopod, the South American Magellania venosa (Rhynchonelliformea: Terebratulida). We find that the seven most abundant proteins present in the shell are unique to M. venosa, but that these proteins display biochemical features found in other metazoan biomineralization proteins. We can also detect some M. venosa proteins that display significant sequence similarity to other metazoan biomineralization proteins, suggesting that some elements of the brachiopod shell-forming proteome are deeply evolutionarily conserved. We also employed a variety of preparation methods to isolate shell proteins and find that in comparison to the shells of other spiralian invertebrates (such as mollusks) the shell ultrastructure of M. venosa may explain the effects these preparation strategies have on our results. PMID:25912046

STEAM STIRRED HOMOGENEOUS NUCLEAR REACTOR

DOEpatents

Busey, H.M.

1958-06-01

A homogeneous nuclear reactor utilizing a selfcirculating liquid fuel is described. The reactor vessel is in the form of a vertically disposed tubular member having the lower end closed by the tube walls and the upper end closed by a removal fianged assembly. A spherical reaction shell is located in the lower end of the vessel and spaced from the inside walls. The reaction shell is perforated on its lower surface and is provided with a bundle of small-diameter tubes extending vertically upward from its top central portion. The reactor vessel is surrounded in the region of the reaction shell by a neutron reflector. The liquid fuel, which may be a solution of enriched uranyl sulfate in ordinary or heavy water, is mainiained at a level within the reactor vessel of approximately the top of the tubes. The heat of the reaction which is created in the critical region within the spherical reaction shell forms steam bubbles which more upwardly through the tubes. The upward movement of these bubbles results in the forcing of the liquid fuel out of the top of these tubes, from where the fuel passes downwardly in the space between the tubes and the vessel wall where it is cooled by heat exchangers. The fuel then re-enters the critical region in the reaction shell through the perforations in the bottom. The upper portion of the reactor vessel is provided with baffles to prevent the liquid fuel from splashing into this region which is also provided with a recombiner apparatus for recombining the radiolytically dissociated moderator vapor and a control means.

Projective interpretation of some doubly special relativity theories

NASA Astrophysics Data System (ADS)

Jafari, N.; Shariati, A.

2011-09-01

A class of projective actions of the orthogonal group on the projective space is being studied. It is shown that the Fock-Lorentz and Magueijo-Smolin transformations known as doubly special relativity are such transformations. The formalism easily leads to new types of transformations.

Nuclear Structure of the Closed Subshell Nucleus 90Zr Studied with the (n,n'(gamma)) Reaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garrett, P E; Younes, Y; Becker, J A

States in {sup 90}Zr have been observed with the (n,n{prime}{gamma}) reaction using both spallation and monoenergetic accelerator-produced neutrons. A scheme comprised of 81 levels and 157 transitions was constructed concentrating on levels below 5.6 MeV in excitation energy. Spins have been determined by considering data from all experimental studies performed for {sup 90}Zr. Lifetimes have been deduced using the Doppler-shift attenuation method for many of the states and transition rates have been obtained. A spherical shell-model interpretation in terms of particle-hole excitations assuming a {sup 88}Sr closed core is given. In some cases, enhancements in B(M1) and B(E2) values aremore » observed that cannot be explained by assuming simple particle-hole excitations. Shell-model calculations using an extended f pg-shell model space reproduce the spectrum of excited states very well, and the gross features of the B(M1) and B(E2) transition rates. Transition rates for individual levels show discrepancies between calculations and experimental values.« less

A study on plastic wrinkling in thin-walled tube bending via an energy-based wrinkling prediction model

NASA Astrophysics Data System (ADS)

Li, H; Yang, H; Zhan, M

2009-04-01

Thin-walled tube bending is an advanced technology for producing precision bent tube parts in aerospace, aviation and automobiles, etc. With increasing demands of bending tubes with a larger tube diameter and a smaller bending radius, wrinkling instability is a critical issue to be solved urgently for improving the bending limit and forming quality in this process. In this study, by using the energy principle, combined with analytical and finite element (FE) numerical methods, an energy-based wrinkling prediction model for thin-walled tube bending is developed. A segment shell model is proposed to consider the critical wrinkling region, which captures the deformation features of the tube bending process. The dissipation energy created by the reaction forces at the tube-dies interface for restraining the compressive instability is also included in the prediction model, which can be numerically calculated via FE simulation. The validation of the model is performed and its physical significance is evaluated from various aspects. Then the plastic wrinkling behaviors in thin-walled tube bending are addressed. From the energy viewpoint, the effect of the basic parameters including the geometrical and material parameters on the onset of wrinkling is identified. In particular, the influence of multi-tools constraints such as clearance and friction at various interfaces on the wrinkling instability is obtained. The study provides instructive understanding of the plastic wrinkling instability and the model may be suitable for the wrinkling prediction of a doubly-curved shell in the complex forming process with contact conditions.

Nuclear spectroscopy of doubly-even130,132Ba

NASA Astrophysics Data System (ADS)

Gupta, Anuradha; Gupta, Surbhi; Singh, Suram; Bharti, Arun

2018-05-01

A comparative study of some high-spin characteristic nuclear structure properties of doubly-even 130,132Ba nuclei has been made using two microscopic frameworks - CHFB and PSM. The yrast spectra, intrinsic quadrupole moment and deformation systematics of these nuclei have been successfully calculated. Further, the calculated data from both the frameworks is also compared with the available experimental data and a good agreement has been obtained. The present CHFB calculations describes very well the low spin structure of even-even 130,132Ba nuclei whereas PSM calculations provide a qualitative description of the high-spin band structure of doubly-even 130,132Ba nuclei.

Dissociation of doubly charged clusters of lithium acetate: Asymmetric fission and breakdown of the liquid drop model: Dissociation of doubly charged clusters of lithium acetate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shukla, Anil

2016-06-08

Unimolecular and collision-induced dissociation of doubly charged lithium acetate clusters, (CH3COOLi)nLi22+, demonstrated that Coulomb fission via charge separation is the dominant dissociation process with no contribution from the neutral evaporation processes for all such ions from the critical limit to larger cluster ions, although latter process have normally been observed in all earlier studies. These results are clearly in disagreement with the Rayleigh’s liquid drop model that has been used successfully to predict the critical size and explain the fragmentation behavior of multiply charged clusters.

Physical activity levels from a meta-analysis of doubly labeled water studies for validating energy intake as measured by dietary assessment.

PubMed

Black, A E

1996-06-01

Studies using doubly labeled water have identified underreporting of food intake as a problem of dietary surveys. However, reported energy intakes may be evaluated by comparison with energy requirements expressed as multiples of the basal metabolic rate, and a formula for calculating the value below which reported intake cannot be either a valid measure of habitual intake or a true low intake obtained by chance is presented. The energy requirements of different age-sex groups needed for the comparison with energy intakes have been obtained from a meta-analysis of doubly labeled water data.

Biomimetic synthesis of sericin and silica hybrid colloidosomes for stimuli-responsive anti-cancer drug delivery systems.

PubMed

Yang, Ying; Cai, Yurong; Sun, Ning; Li, Ruijing; Li, Wenhua; Kundu, Subhas C; Kong, Xiangdong; Yao, Juming

2017-03-01

Colloidosomes are becoming popular due to their significant flexibility with respect to microcapsule functionality. This study reports a facile approach for synthesizing silica colloidosomes by using sericin microcapsule as the matrix in an environment-friendly method. The silica colloid arrangement on the sericin microcapsules are orchestrated by altering the reaction parameters. Doxorubicin (DOX), used as a hydrophilic anti-cancer drug model, is encapsulated into the colloidosomes in a mild aqueous solution and becomes stimuli-responsive to different external environments, including pH values, protease, and ionic strength are also observed. Colloidosomes with sub-monolayers, close-packed monolayers, and close-packed multi-layered SiO 2 colloid shells can be fabricated under the optimized reaction conditions. A flexible DOX release from colloidosomes can be obtained via modulating the SiO 2 colloid layer arrangement and thickness. The close-packed and multi-layered SiO 2 colloid shells can best protect the colloidosomes and delay the rapid cargo release. MG-63 cells are killed when doxorubicin is released from the microcapsules due to degradation in the microenvironment of cancer cells. The drug release period is prolonged as SiO 2 shell thickness and integrity increase. This work suggests that the hybrid colloidosomes can be effective in a bioactive molecule delivery system. Copyright © 2016 Elsevier B.V. All rights reserved.

Organic superalkalis with closed-shell structure and aromaticity

NASA Astrophysics Data System (ADS)

Srivastava, Ambrish Kumar

2018-06-01

Benzene (C6H6) and polycyclic hydrocarbons such as naphthalene (C10H8), anthracene (C14H10) and coronene (C24H12) are well known aromatic organic compounds. We study the substitution of Li replacing all H-atoms in these hydrocarbons using density functional method. The vertical ionisation energy of such lithiated species, i.e. C6Li6, C10Li8, C14Li10 and C24Li12 ranges 4.24-4.50 eV, which is lower than the ionisation energy (IE) of Li atom. Thus, these species may behave as superalkalis due to their lower IE than alkali metal. However, these lithiated species possess planar and closed-shell structure, unlike typical superalkalis. Furthermore, all Li-substituted species are aromatic although their degree of aromaticity is reduced as compared to corresponding hydrocarbon analogues. We have further explored the structure of C6Li6 as star-like, unlike its inorganic analogue B3N3Li6, which appears as fan-like structure. We have also demonstrated that the interaction of C6Li6 with a superhalogen (such as BF4) is similar to that of a typical superalkali (such as OLi3). This may further suggest that the proposed lithiated species may form a new class of closed-shell organic superalkalis with aromaticity.

Design and characterization of controlled-release edible packaging films prepared with synergistic whey-protein polysaccharide complexes.

PubMed

Liu, Fei; Jiang, Yanfeng; Du, Bingjian; Chai, Zhi; Jiao, Tong; Zhang, Chunyue; Ren, Fazheng; Leng, Xiaojing

2013-06-19

This paper describes an investigation into the properties of a doubly emulsified film incorporated with protein-polysaccharide microcapsules, which serves as a multifunctional food packaging film prepared using common edible materials in place of petroleum--based plastics. The relationships between the microstructural properties and controlled release features of a series of water-in-oil-in-water (W/O/W) microcapsulated edible films prepared in thermodynamically incompatible conditions were analyzed. The hydrophilic riboflavin (V(B2)) nano-droplets (13-50 nm) dispersed in α-tocopherol (V(E)) oil phase were embedded in whey protein-polysaccharide (WPs) microcapsules with a shell thickness of 20-56 nm. These microcapsules were then integrated in 103 μm thick WPs films. Different polysaccharides, including gum arabic (GA), low-methoxyl pectin (LMP), and κ-carrageenan (KCG), exhibited different in vitro synergistic effects on the ability of both films to effect enteric controlled release of both vitamins. GA, which showed a strong emulsifying ability, also showed better control of V(E) than other polysaccharides, and the highly charged KCG showed better control of V(B2) than GA did.

A variety of characteristic behaviour of resonant KL23L23 Auger decays following Si K-shell photoexcitation of SiCl4

NASA Astrophysics Data System (ADS)

Suzuki, I. H.; Kono, Y.; Sakai, K.; Kimura, M.; Ueda, K.; Tamenori, Y.; Takahashi, O.; Nagaoka, S.

2013-04-01

Spectator resonant Auger electron spectra with the Si 1s photoexcitation of SiCl4 have been measured using an electron spectroscopic technique combined with undulator radiation. The transition with the highest intensity in the total ion yield (TIY) spectrum, coming from excitation of a 1s electron into the 9t2 valence orbital, generates the resonant Auger decay in which the excited electron remains in the 9t2 orbital. A TIY peak positioned slightly above the 1s ionization threshold induces Auger decay in which the slow photoelectron is re-captured into a higher lying Rydberg orbital or the normal Auger peak shape is distorted due to a post-collision interaction effect. Another structure above the threshold, originating from a doubly excited state, yields the normal Auger peak with the distortion of peak shape and a resonant Auger peak with a higher kinetic energy. These findings provide a clear understanding of the properties of the excited orbitals which were ambiguous previously.

Configuration and Spin Assignments of Yrast Band for Doubly Odd Nucleus 122Cs

NASA Astrophysics Data System (ADS)

Pu, Yun-wei; Wen, Jia-yan; Zhu, Shun-quan; Zheng, Ren-rong

1998-07-01

Energy spectrum of yrast band for 122Cs is studied by using particle-rotor model (PRM) of odd-odd nuclei, in which special attention is paid to the model basis accounting for the effect of the instability γ vibration perturbation around axial symmetry. In order to check the assignments of this band, two calculation schemes are put into practice. The first one is for previous πh11/2 otimes νg7/2 configuration with bandhead spin I0 = (6-) which was obtained from cranked shell model (CSM) calculation, and the other one is for πh11/2 otimes νh11/2 configuration with I0 = (9+) supported by the systematic analyses of experimental data. A qualitative comparison between the present PRM calculation and that of CSM has also been made. The results indicate that, rather than πh11/2 otimes νg7/2 with I0 = (6-), πh11/2 otimes νh11/2 with I0 = (9+) is a more reasonable assignment to the yrast band in 122Cs.

Pseudo-time-reversal symmetry and topological edge states in two-dimensional acoustic crystals

PubMed Central

Mei, Jun; Chen, Zeguo; Wu, Ying

2016-01-01

We propose a simple two-dimensional acoustic crystal to realize topologically protected edge states for acoustic waves. The acoustic crystal is composed of a triangular array of core-shell cylinders embedded in a water host. By utilizing the point group symmetry of two doubly degenerate eigenstates at the Γ point, we can construct pseudo-time-reversal symmetry as well as pseudo-spin states in this classical system. We develop an effective Hamiltonian for the associated dispersion bands around the Brillouin zone center, and find the inherent link between the band inversion and the topological phase transition. With numerical simulations, we unambiguously demonstrate the unidirectional propagation of acoustic edge states along the interface between a topologically nontrivial acoustic crystal and a trivial one, and the robustness of the edge states against defects with sharp bends. Our work provides a new design paradigm for manipulating and transporting acoustic waves in a topologically protected manner. Technological applications and devices based on our design are expected in various frequency ranges of interest, spanning from infrasound to ultrasound. PMID:27587311

Misfit stresses in a composite core-shell nanowire with an eccentric parallelepipedal core subjected to one-dimensional cross dilatation eigenstrain

NASA Astrophysics Data System (ADS)

Krasnitckii, S. A.; Kolomoetc, D. R.; Smirnov, A. M.; Gutkin, M. Yu

2017-03-01

We present an analytical solution to the boundary-value problem in the classical theory of elasticity for a core-shell nanowire with an eccentric parallelepipedal core of an arbitrary rectangular cross section. The core is subjected to one-dimensional cross dilatation eigenstrain. The misfit stresses are found in a concise and transparent closed form which is convenient for practical use in theoretical modeling of misfit relaxation processes.

GAUSSIAN 76: An ab initio Molecular Orbital Program

DOE R&D Accomplishments Database

Binkley, J. S.; Whiteside, R.; Hariharan, P. C.; Seeger, R.; Hehre, W. J.; Lathan, W. A.; Newton, M. D.; Ditchfield, R.; Pople, J. A.

1978-01-01

Gaussian 76 is a general-purpose computer program for ab initio Hartree-Fock molecular orbital calculations. It can handle basis sets involving s, p and d-type Gaussian functions. Certain standard sets (STO-3G, 4-31G, 6-31G*, etc.) are stored internally for easy use. Closed shell (RHF) or unrestricted open shell (UHF) wave functions can be obtained. Facilities are provided for geometry optimization to potential minima and for limited potential surface scans.

User document for computer programs for ring-stiffened shells of revolution

NASA Technical Reports Server (NTRS)

Cohen, G. A.

1973-01-01

A user manual and related program documentation is presented for six compatible computer programs for structural analysis of axisymmetric shell structures. The programs apply to a common structural model but analyze different modes of structural response. In particular, they are: (1) Linear static response under asymmetric loads; (2) Buckling of linear states under asymmetric loads; (3) Nonlinear static response under axisymmetric loads; (4) Buckling nonlinear states under axisymmetric (5) Imperfection sensitivity of buckling modes under axisymmetric loads; and (6) Vibrations about nonlinear states under axisymmetric loads. These programs treat branched shells of revolution with an arbitrary arrangement of a large number of open branches but with at most one closed branch.

Genesis Spacecraft Science Canister Preliminary Inspection and Cleaning

NASA Technical Reports Server (NTRS)

Hittle, J. D.; Calaway, M. J.; Allton, J. H.; Warren, J. L.; Schwartz, C. M.; Stansbery, E. K.

2006-01-01

The Genesis science canister is an aluminum cylinder (75 cm diameter and 35 cm tall) hinged at the mid-line for opening. This canister was cleaned and assembled in an ISO level 4 (Class 10) clean room at Johnson Space Center (JSC) prior to launch. The clean solar collectors were installed and the canister closed in the cleanroom to preserve collector cleanliness. The canister remained closed until opened on station at Earth-Sun L1 for solar wind collection. At the conclusion of collection, the canister was again closed to preserve collector cleanliness during Earth return and re-entry. Upon impacting the dry Utah lakebed at 300 kph the science canister integrity was breached. The canister was returned to JSC. The canister shell was briefly examined, imaged, gently cleaned of dust and packaged for storage in anticipation of future detailed examination. The condition of the science canister shell noted during this brief examination is presented here. The canister interior components were packaged and stored without imaging due to time constraints.

Nuclear Structure in China 2010

NASA Astrophysics Data System (ADS)

Bai, Hong-Bo; Meng, Jie; Zhao, En-Guang; Zhou, Shan-Gui

2011-08-01

Personal view on nuclear physics research / Jie Meng -- High-spin level structures in [symbol]Zr / X. P. Cao ... [et al.] -- Constraining the symmetry energy from the neutron skin thickness of tin isotopes / Lie-Wen Chen ... [et al.] -- Wobbling rotation in atomic nuclei / Y. S. Chen and Zao-Chun Gao -- The mixing of scalar mesons and the possible nonstrange dibaryons / L. R. Dai ... [et al.] -- Net baryon productions and gluon saturation in the SPS, RHIC and LHC energy regions / Sheng-Qin Feng -- Production of heavy isotopes with collisions between two actinide nuclides / Z. Q. Feng ... [et al.] -- The projected configuration interaction method / Zao-Chun Gao and Yong-Shou Chen -- Applications of Nilsson mean-field plus extended pairing model to rare-earth nuclei / Xin Guan ... [et al.] -- Complex scaling method and the resonant states / Jian-You Guo ... [et al.] -- Probing the equation of state by deep sub-barrier fusion reactions / Hong-Jun Hao and Jun-Long Tian -- Doublet structure study in A[symbol]105 mass region / C. Y. He ... [et al.] -- Rotational bands in transfermium nuclei / X. T. He -- Shape coexistence and shape evolution [symbol]Yb / H. Hua ... [et al.] -- Multistep shell model method in the complex energy plane / R. J. Liotta -- The evolution of protoneutron stars with kaon condensate / Ang Li -- High spin structures in the [symbol]Lu nucleus / Li Cong-Bo ... [et al.] -- Nuclear stopping and equation of state / QingFeng Li and Ying Yuan -- Covariant description of the low-lying states in neutron-deficient Kr isotopes / Z. X. Li ... [et al.] -- Isospin corrections for superallowed [symbol] transitions / HaoZhao Liang ... [et al.] -- The positive-parity band structures in [symbol]Ag / C. Liu ... [et al.] -- New band structures in odd-odd [symbol]I and [symbol]I / Liu GongYe ... [et al.] -- The sd-pair shell model and interacting boson model / Yan-An Luo ... [et al.] -- Cross-section distributions of fragments in the calcium isotopes projectile fragmentation at the intermediate energy / C. W. Ma ... [et al.].Systematic study of spin assignment and dynamic moment of inertia of high-j intruder band in [symbol]In / K. Y. Ma ... [et al.] -- Signals of diproton emission from the three-body breakup channel of [symbol]Al and [symbol]Mg / Ma Yu-Gang ... [et al.] -- Uncertainties of Th/Eu and Th/Hf chronometers from nucleus masses / Z. M. Niu ... [et al.] -- The chiral doublet bands with [symbol] configuration in A[symbol]100 mass region / B. Qi ... [et al.] -- [symbol] formation probabilities in nuclei and pairing collectivity / Chong Qi -- A theoretical prospective on triggered gamma emission from [symbol]Hf[symbol] isomer / ShuiFa Shen ... [et al.] -- Study of nuclear giant resonances using a Fermi-liquid method / Bao-Xi Sun -- Rotational bands in doubly odd [symbol]Sb / D. P. Sun ... [et al.] -- The study of the neutron N=90 nuclei / W. X. Teng ... [et al.] -- Dynamical modes and mechanisms in ternary reaction of [symbol]Au+[symbol]Au / Jun-Long Tian ... [et al.] -- Dynamical study of X(3872) as a D[symbol] molecular state / B. Wang ... [et al.] -- Super-heavy stability island with a semi-empirical nuclear mass formula / N. Wang ... [et al.] -- Pseudospin partner bands in [symbol]Sb / S. Y. Wang ... [et al.] -- Study of elastic resonance scattering at CIAE / Y. B. Wang ... [et al.] -- Systematic study of survival probability of excited superheavy nuclei / C. J. Xia ... [et al.] -- Angular momentum projection of the Nilsson mean-field plus nearest-orbit pairing interaction model / Ming-Xia Xie ... [et al.] -- Possible shape coexistence for [symbol]Sm in a reflection-asymmetric relativistic mean-field approach / W. Zhang ... [et al.] -- Nuclear pairing reduction due to rotation and blocking / Zhen-Hua Zhang -- Nucleon pair approximation of the shell model: a review and perspective / Y. M. Zhao ... [et al.] -- Band structures in doubly odd [symbol]I / Y. Zheng ... [et al.] -- Lifetimes of high spin states in [symbol]Ag / Y. Zheng ... [et al.] -- Effect of tensor interaction on the shell structure of superheavy nuclei / Xian-Rong Zhou ... [et al.].

[Conversion methods of freshwater snail tissue dry mass and ash free dry mass].

PubMed

Zhao, Wei-Hua; Wang, Hai-Jun; Wang, Hong-Zhu; Liu, Xue-Qin

2009-06-01

Mollusk biomass is usually expressed as wet mass with shell, but this expression fails to represent real biomass due to the high calcium carbonate content in shells. Tissue dry mass and ash free dry mass are relatively close to real biomass. However, the determination process of these two parameters is very complicated, and thus, it is necessary to establish simple and practical conversion methods for these two parameters. A total of six taxa of freshwater snails (Bellamya sp., Alocinma longicornis, Parafossarulus striatulus, Parafossarulus eximius, Semisulcospira cancellata, and Radix sp.) common in the Yangtze Basin were selected to explore the relations of their five shell dimension parameters, dry and wet mass with shells with their tissue dry mass and ash free dry mass. The regressions of the tissue dry mass and ash free dry mass with the five shell dimension parameters were all exponential (y = ax(b)). Among them, shell width and shell length were more precise (the average percentage error between observed and predicted value being 22.0% and 22.5%, respectively) than the other three parameters in the conversion of dry mass. Wet mass with shell could be directly converted to tissue dry mass and ash free dry mass, with an average percentage error of 21.7%. According to the essence of definition and the errors of conversion, ash free dry mass would be the optimum parameter to express snail biomass.

Hypersonic vibrations of Ag@SiO2 (cubic core)-shell nanospheres.

PubMed

Sun, Jing Ya; Wang, Zhi Kui; Lim, Hock Siah; Ng, Ser Choon; Kuok, Meng Hau; Tran, Toan Trong; Lu, Xianmao

2010-12-28

The intriguing optical and catalytic properties of metal-silica core-shell nanoparticles, inherited from their plasmonic metallic cores together with the rich surface chemistry and increased stability offered by their silica shells, have enabled a wide variety of applications. In this work, we investigate the confined vibrational modes of a series of monodisperse Ag@SiO(2) (cubic core)-shell nanospheres synthesized using a modified Stöber sol-gel method. The particle-size dependence of their mode frequencies has been mapped by Brillouin light scattering, a powerful tool for probing hypersonic vibrations. Unlike the larger particles, the observed spheroidal-like mode frequencies of the smaller ones do not scale with inverse diameter. Interestingly, the onset of the deviation from this linearity occurs at a smaller particle size for higher-energy modes than for lower-energy ones. Finite element simulations show that the mode displacement profiles of the Ag@SiO(2) core-shells closely resemble those of a homogeneous SiO(2) sphere. Simulations have also been performed to ascertain the effects that the core shape and the relative hardness of the core and shell materials have on the vibrations of the core-shell as a whole. As the vibrational modes of a particle have a bearing on its thermal and mechanical properties, the findings would be of value in designing core-shell nanostructures with customized thermal and mechanical characteristics.

The Fifth Cell: Correlation Bias in U.S. Census Adjustment.

ERIC Educational Resources Information Center

Wachter, Kenneth W.; Freedman, David A.

2000-01-01

Presents a method for estimating the total national number of doubly missing people (missing from Census counts and adjusted counts as well) and their distribution by race and sex. Application to the 1990 U.S. Census yields an estimate of three million doubly-missing people. (SLD)

Design of a doubly-hydrophilic block copolypeptide that directs the formation of calcium carbonate microspheres.

PubMed

Euliss, Larken E; Trnka, Tina M; Deming, Timothy J; Stucky, Galen D

2004-08-07

The crystallization of calcium carbonate into microspheres has been accomplished using the rationally-designed, doubly-hydrophilic block copolypeptide poly(Nepsilon-2[2-(2-methoxyethoxy)ethoxy]acetyl-L-lysine)(100)-b-poly(L-aspartate sodium salt)30 as a structure-directing agent.

Multishelled NiO Hollow Microspheres for High-performance Supercapacitors with Ultrahigh Energy Density and Robust Cycle Life

NASA Astrophysics Data System (ADS)

Qi, Xinhong; Zheng, Wenji; Li, Xiangcun; He, Gaohong

2016-09-01

Multishelled NiO hollow microspheres for high-performance supercapacitors have been prepared and the formation mechanism has been investigated. By using resin microspheres to absorb Ni2+ and subsequent proper calcinations, the shell numbers, shell spacing and exterior shell structure were facilely controlled via varying synthetic parameters. Particularly, the exterior shell structure that accurately associated with the ion transfer is finely controlled by forming a single shell or closed exterior double-shells. Among multishelled NiO hollow microspheres, the triple-shelled NiO with an outer single-shelled microspheres show a remarkable capacity of 1280 F g-1 at 1 A g-1, and still keep a high value of 704 F g-1 even at 20 A g-1. The outstanding performances are attributed to its fast ion/electron transfer, high specific surface area and large shell space. The specific capacitance gradually increases to 108% of its initial value after 2500 cycles, demonstrating its high stability. Importantly, the 3S-NiO-HMS//RGO@Fe3O4 asymmetric supercapacitor shows an ultrahigh energy density of 51.0 Wh kg-1 at a power density of 800 W kg-1, and 78.8% capacitance retention after 10,000 cycles. Furthermore, multishelled NiO can be transferred into multishelled Ni microspheres with high-efficient H2 generation rate of 598.5 mL H2 min-1 g-1Ni for catalytic hydrolysis of NH3BH3 (AB).

Global molecular identification from graphs. Neutral and ionized main-group diatomic molecules.

PubMed

James, Bryan; Caviness, Ken; Geach, Jonathan; Walters, Chris; Hefferlin, Ray

2002-01-01

Diophantine equations and inequalities are presented for main-group closed-shell diatomic molecules. Specifying various bond types (covalent, dative, ionic, van der Waals) and multiplicities, it becomes possible to identify all possible molecules. While many of the identified species are probably unstable under normal conditions, they are interesting and present a challenge for computational or experimental analysis. Ionized molecules with net charges of -1, 1, and 2 are also identified. The analysis applies to molecules with atoms from periods 2 and 3 but can be generalized by substituting isovalent atoms. When closed-shell neutral diatomics are positioned in the chemical space (with axes enumerating the numbers of valence electrons of the free atoms), it is seen that they lie on a few parallel isoelectronic series.

Failure mechanisms and closed reduction of a constrained tripolar acetabular liner.

PubMed

Robertson, William J; Mattern, Christopher J; Hur, John; Su, Edwin P; Pellicci, Paul M

2009-02-01

Unlike traditional bipolar constrained liners, the Osteonics Omnifit constrained acetabular insert is a tripolar device, consisting of an inner bipolar bearing articulating within an outer, true liner. Every reported failure of the Omnifit tripolar implant has been by failure at the shell-bone interface (Type I failure), failure at the shell-liner interface (Type II failure), or failure of the locking mechanism resulting in dislocation of the bipolar-liner interface (Type III failure). In this report we present two cases of failure of the Omnifit tripolar at the bipolar-femoral head interface. To our knowledge, these are the first reported cases of failure at the bipolar-femoral head interface (Type IV failure). In addition, we described the first successful closed reduction of a Type IV failure.

Metallic positive expulsion diaphragms

NASA Technical Reports Server (NTRS)

Gleich, D.

1972-01-01

High-cycle life ring-reinforced hemispherical type positive expulsion diaphragm performance was demonstrated by room temperature fluid expulsion tests of 13" diameter, 8 mil thick stainless steel configurations. A maximum of eleven (11) leak-free, fluid expulsions were achieved by a 25 deg cone angle diaphragm hoop-reinforced with .110-inch cross-sectional diameter wires. This represents a 70% improvement in diaphragm reversal cycle life compared to results previously obtained. The reversal tests confirmed analytic predictions for diaphragm cycle life increases due to increasing values of diaphragm cone angle, radius to thickness ratio and material strain to necking capacity. Practical fabrication techniques were demonstrated for forming close-tolerance, thin corrugated shells and for obtaining closely controlled reinforcing ring stiffness required to maximize diaphragm cycle life. A non-destructive inspection technique for monitoring large local shell bending strains was developed.

Fermi orbital derivatives in self-interaction corrected density functional theory: Applications to closed shell atoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pederson, Mark R., E-mail: mark.pederson@science.doe.gov

2015-02-14

A recent modification of the Perdew-Zunger self-interaction-correction to the density-functional formalism has provided a framework for explicitly restoring unitary invariance to the expression for the total energy. The formalism depends upon construction of Löwdin orthonormalized Fermi-orbitals which parametrically depend on variational quasi-classical electronic positions. Derivatives of these quasi-classical electronic positions, required for efficient minimization of the self-interaction corrected energy, are derived and tested, here, on atoms. Total energies and ionization energies in closed-shell singlet atoms, where correlation is less important, using the Perdew-Wang 1992 Local Density Approximation (PW92) functional, are in good agreement with experiment and non-relativistic quantum-Monte-Carlo results albeitmore » slightly too low.« less

Dynamic stabilities of icosahedral-like clusters and their ability to form quasicrystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liang, Xiaogang; Hamid, Ilyar; Duan, Haiming, E-mail: dhm@xju.edu.cn

2016-06-15

The dynamic stabilities of the icosahedral-like clusters containing up to 2200 atoms are investigated for 15 metal elements. The clusters originate from five different initial structures (icosahedron, truncated decahedron, octahedron, closed-shell fragment of an HCP structure, and non-closed-shell fragment of an HCP structure). The obtained order of the dynamic stabilities of the icosahedral-like clusters can be assigned to three groups, from stronger to weaker, according to the size ranges involved: (Zr, Al, Ti) > (Cu, Fe, Co, Ni, Mg, Ag) > (Pb, Au, Pd, Pt, Rh, Ir), which correspond to the predicted formation ability of the quasicrystals. The differences ofmore » the sequences can be explained by analyzing the parameters of the Gupta-type many-body inter-atomic potentials.« less

Organochlorine pesticides, polychlorinated biphenyls, and mercury in osprey eggs--1970-79--and their relationships to shell thinning and productivity

USGS Publications Warehouse

Wiemeyer, Stanley N.; Bunck, C.M.; Krynitsky, A.J.

1988-01-01

Osprey (Pandion haliaetus) eggs were collected in 14 states in 1970-79 and analyzed for organochlorine pesticides, polychlorinated biphenyls (PCBs), and mercury. Moderate shell thinning occurred in eggs from several areas. DDE was detected in all eggs, PCBs in 99%, DDD in 96%, dieldrin in 52%, and other compounds less frequently. Concentrations of DDT and its metabolites declined in eggs from Cape May County, New Jersey between 1970-72 and 1978-79. Eggs .from New Jersey in the early 1970s contained the highest concentrations of DDE. Dieldrin concentrations declined in eggs from the Potomac River, Maryland during 1971-77. Five different contaminants were significantly negatively correlated with shell thickness; DDE was most closely correlated. Ten percent shell thinning was associated with 2.0 ppm DDE, 15% with 4.2 ppm, and 20% with 8.7 ppm in eggs collected from randomly selected nests before egg loss. Shell thickness could not be accurately predicted from DDE concentrations in eggs collected after failure to hatch, presumably because the eggs with the thinnest shells had been broken and were unavailable for sampling. DDE was also significantly negatively correlated with brood size. Other contaminants did not appear to adversely affect shell thickness or reproductive success.

Scallop-Inspired Shell Engineering of Microparticles for Stable and High Volumetric Capacity Battery Anodes.

PubMed

Zhang, Xinghao; Guo, Ruiying; Li, Xianglong; Zhi, Linjie

2018-06-01

Building stable and efficient electron and ion transport pathways are critically important for energy storage electrode materials and systems. Herein, a scallop-inspired shell engineering strategy is proposed and demonstrated to confine high volume change silicon microparticles toward the construction of stable and high volumetric capacity binder-free lithium battery anodes. As for each silicon microparticle, the methodology involves an inner sealed but adaptable overlapped graphene shell, and an outer open hollow shell consisting of interconnected reduced graphene oxide, mimicking the scallop structure. The inner closed shell enables simultaneous stabilization of the interfaces of silicon with both carbon and electrolyte, substantially facilitates efficient and rapid transport of both electrons and lithium ions from/to silicon, the outer open hollow shell creates stable and robust transport paths of both electrons and lithium ions throughout the electrode without any sophisticated additives. The resultant self-supported electrode has achieved stable cycling with rapidly increased coulombic efficiency in the early stage, superior rate capability, and remarkably high volumetric capacity upon a facile pressing process. The rational design and engineering of graphene shells of the silicon microparticles developed can provide guidance for the development of a wide range of other high capacity but large volume change electrochemically active materials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A well-scaling natural orbital theory

DOE PAGES

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-11-01

Here, we introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals ofmore » the oneparticle density matrix.« less

A well-scaling natural orbital theory

PubMed Central

Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto

2016-01-01

We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled approximations to the two-particle density matrix that yield algebraic scaling in general, and Hartree–Fock scaling in its seniority-zero version. Results from the latter version for small molecular systems are compared with those of highly accurate quantum-chemical computations. The energies lie above full configuration interaction calculations, close to doubly occupied configuration interaction calculations. Their accuracy is considerably greater than that obtained from current density-functional theory approximations and from current functionals of the one-particle density matrix. PMID:27803328

How the hydrophobic factor drives protein folding

PubMed Central

Baldwin, Robert L.; Rose, George D.

2016-01-01

How hydrophobicity (HY) drives protein folding is studied. The 1971 Nozaki–Tanford method of measuring HY is modified to use gases as solutes, not crystals, and this makes the method easy to use. Alkanes are found to be much more hydrophobic than rare gases, and the two different kinds of HY are termed intrinsic (rare gases) and extrinsic (alkanes). The HY values of rare gases are proportional to solvent-accessible surface area (ASA), whereas the HY values of alkanes depend on special hydration shells. Earlier work showed that hydration shells produce the hydration energetics of alkanes. Evidence is given here that the transfer energetics of alkanes to cyclohexane [Wolfenden R, Lewis CA, Jr, Yuan Y, Carter CW, Jr (2015) Proc Natl Acad Sci USA 112(24):7484–7488] measure the release of these shells. Alkane shells are stabilized importantly by van der Waals interactions between alkane carbon and water oxygen atoms. Thus, rare gases cannot form this type of shell. The very short (approximately picoseconds) lifetime of the van der Waals interaction probably explains why NMR efforts to detect alkane hydration shells have failed. The close similarity between the sizes of the opposing energetics for forming or releasing alkane shells confirms the presence of these shells on alkanes and supports Kauzmann's 1959 mechanism of protein folding. A space-filling model is given for the hydration shells on linear alkanes. The model reproduces the n values of Jorgensen et al. [Jorgensen WL, Gao J, Ravimohan C (1985) J Phys Chem 89:3470–3473] for the number of waters in alkane hydration shells. PMID:27791131

In-life pteropod shell dissolution as an indicator of past ocean carbonate saturation

NASA Astrophysics Data System (ADS)

Wall-Palmer, Deborah; Smart, Christopher W.; Hart, Malcolm B.

2013-12-01

Recent concern over the effects of ocean acidification upon calcifying organisms has highlighted the aragonitic shelled thecosomatous pteropods as being at a high risk. Both in-situ and laboratory studies have shown that an increased dissolved CO2 concentration, leading to decreased water pH and low carbonate concentration, causes reduced calcification rates and enhanced dissolution in the shells of living pteropods. In fossil records unaffected by post-depositional dissolution, this in-life shell dissolution can be detected. Here we present the first evidence of variations of in-life pteropod shell dissolution due to variations in surface water carbonate concentration during the Late Pleistocene by analysing the surface layer of pteropod shells in marine sediment cores from the Caribbean Sea and Indian Ocean. In-life shell dissolution was determined by applying the Limacina Dissolution Index (LDX) to the sub-tropical pteropod Limacina inflata. Average shell size information shows that high in-life dissolution is accompanied by smaller shell sizes in L. inflata, which may indicate a reduction in calcification rate. Comparison of the LDX profile to Late Pleistocene Vostok atmospheric CO2 concentrations, shows that in-life pteropod dissolution is closely associated to variations in past ocean carbonate saturation. This study confirms the findings of laboratory studies, showing enhanced shell dissolution and reduced calcification in living pteropods when surface ocean carbonate concentrations were lower. Results also demonstrate that oceanic pH levels that were less acidic and changing less rapidly than those predicted for the 21st Century, negatively affected pteropods during the Late Pleistocene.

Sclerochronology of Holocene oyster shells (Crassostrea gigas) from the West Coast of Bohai Sea, China

NASA Astrophysics Data System (ADS)

Fan, C.; Koeniger, P.; Wang, H.; Frechen, M.

2009-04-01

Sclerochronology, the study of periodic increments in skeletal organisms, can decipher the life history and environmental records preserved in fossil shells. Although there have been a number of studies that apply isotopic analyses to shells in open ocean and fresh water, investigations for brackish environments are rare. One of the common inhabitants in estuaries is the Crassostrea oyster. Kirby et al. (1998) demonstrated a close correspondence between the ligamental increments of convex and concave bands and yearly ^18O cycles; Andrus and Crowe (2000) found a close correspondence between translucent growth bands on the cross-section of the hinge and yearly ^18O cycles. They conclude that the morphological features on hinge and growth bands on the cross-section are formed annually and can be used to determine accurately age and growth rate in this species. However, Surge et al. (2001) could not find that these morphologic features have seasonal significance in the C. virginica shells. Therefore, these concave ridges are not reliable independent proxies of seasonality. These studies were carried out with C. virginica shells; none was studied with nature C. gigas, which was widely distributed along the Pacific coastal area. C. gigas has been introduced from its native home to all over the world, ranging from North America to Australia and Europe; it has become an important commercial harvest in many of these places. Buried Holocene oyster shells of C. gigas were sampled from a huge buried oyster reef on the West of Bohai Sea, China. One of these shells was selected for high resolution micro-sampling and stable isotope analyses testing the assumption that C. gigas ligamental increments are annual in nature. We analyzed 236 consecutive samples from the shell to show that morphologic features both on hinge and cross-section are annual by comparing them to the ^18O profiles. We tested the assumption that the morphologic features of C.gigas are delineated by convex tops and concave bottoms on hinge and corresponding translucent growth bands on cross-section. The shell has 13.5 ligamental increments, based on 13.5 convex bands and 13 concave bottoms on hinge. Convex tops correspond to ^18O minima (summers), whereas concave bottoms correspond to ^18O maxima, which were formed during the low temperature of winter in the study area. We demonstrate that the ligamental increments of convex tops, concave bottoms and translucent growth bands in the studied C. gigas shell are suitable indicators of annual growth increments. The life spans, growth rates, and the timing of death can be determined from the ligament increments and isotope profiles of buried oyster shells.

Preparation and recognition of surface molecularly imprinted core-shell microbeads for protein in aqueous solutions

NASA Astrophysics Data System (ADS)

Lu, Yan; Yan, Chang-Ling; Gao, Shu-Yan

2009-04-01

In this paper, a surface molecular imprinting technique was reported for preparing core-shell microbeads of protein imprinting, and bovine hemoglobin or bovine serum albumin were used as model proteins for studying the imprinted core-shell microbeads. 3-Aminophenylboronic acid (APBA) was polymerized onto the surface of polystyrene microbead in the presence of the protein templates to create protein-imprinted core-shell microbeads. The various samples were characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and Brunauer-Emmett-Teller (BET) methods. The effect of pH on rebinding of the template hemoglobin, the specific binding and selective recognition were studied for the imprinted microbeads. The results show that the bovine hemoglobin-imprinted core-shell microbeads were successfully created. The shell was a sort of imprinted thin films with porous structure and larger surface areas. The imprinted microbeads have good selectivity for templates and high stability. Due to the recognition sites locating at or closing to the surface, these imprinted microbeads have good property of mass-transport. Unfortunately, the imprint technology was not successfully applied to imprinting bovine serum albumin (BSA).

The argonaut shell: gas-mediated buoyancy control in a pelagic octopus.

PubMed

Finn, Julian K; Norman, Mark D

2010-10-07

Argonauts (Cephalopoda: Argonautidae) are a group of rarely encountered open-ocean pelagic octopuses with benthic ancestry. Female argonauts inhabit a brittle 'paper nautilus' shell, the role of which has puzzled naturalists for millennia. The primary role attributed to the shell has been as a receptacle for egg deposition and brooding. Our observations of wild argonauts have revealed that the thin calcareous shell also functions as a hydrostatic structure, employed by the female argonaut to precisely control buoyancy at varying depths. Female argonauts use the shell to 'gulp' a measured volume of air at the sea surface, seal off the captured gas using flanged arms and forcefully dive to a depth where the compressed gas buoyancy counteracts body weight. This process allows the female argonaut to attain neutral buoyancy at depth and potentially adjust buoyancy to counter the increased (and significant) weight of eggs during reproductive periods. Evolution of this air-capture strategy enables this negatively buoyant octopus to survive free of the sea floor. This major shift in life mode from benthic to pelagic shows strong evolutionary parallels with the origins of all cephalopods, which attained gas-mediated buoyancy via the closed-chambered shells of the true nautiluses and their relatives.

Discriminating leptonic Yukawa interactions with doubly charged scalar at the ILC

NASA Astrophysics Data System (ADS)

Nomura, Takaaki; Okada, Hiroshi; Yokoya, Hiroshi

2018-04-01

We explore discrimination of two types of leptonic Yukawa interactions associated with Higgs triplet, LbarLc ΔLL, and with SU (2) singlet doubly charged scalar, ebarRc k++eR. These interactions can be distinguished by measuring the effects of doubly charged scalar boson exchange in the e+e- →ℓ+ℓ- processes at polarized electron-positron colliders. We study a forward-backward asymmetry of scattering angular distribution to estimate the sensitivity for these effects at the ILC. In addition, we investigate prospects of upper bounds on the Yukawa couplings by combining the constraints of lepton flavor violation processes and the e+e- →ℓ+ℓ- processes at the LEP and the ILC.

Pair Production of the Doubly Charged Leptons Associated with a Gauge Boson γ or Z in e+e- and γγ Collisions at Future Linear Colliders

NASA Astrophysics Data System (ADS)

Zeng, Qing-Guo; Ji, Li; Yang, Shuo

2015-03-01

In this paper, we investigate the production of a pair of doubly charged leptons associated with a gauge boson V(γ or Z) at future linear colliders via e+e- and γγ collisions. The numerical results show that the possible signals of the doubly charged leptons may be detected via the processes e+e- → VX++X-- and γγ → VX++X-- at future ILC or CLIC experiments. Supported in part by the National Natural Science Foundation of China under Grants Nos. 11275088, 11205023, 11375248 and the Program for Liaoning Excellent Talents in University under Grant No. LJQ2014135

Exotic triple-charm deuteronlike hexaquarks

NASA Astrophysics Data System (ADS)

Chen, Rui; Wang, Fu-Lai; Hosaka, Atsushi; Liu, Xiang

2018-06-01

Adopting the one-boson-exchange model, we perform a systematic investigation of interactions between a doubly charmed baryon (Ξc c) and an S -wave charmed baryon (Λc, Σc(*), and Ξc(',*)). Both the S - D mixing effect and coupled-channel effect are considered in this work. Our results suggest that there may exist several possible triple-charm deuteronlike hexaquarks. Meanwhile, we further study the interactions between a doubly charmed baryon and an S -wave anticharmed baryon. We find that a doubly charmed baryon and an S -wave anticharmed baryon can be easily bound together to form shallow molecular hexaquarks. These heavy flavor hexaquarks predicted here can be accessible at future experiment like LHCb.

On the convergence of a discrete Kirchhoff triangle method valid for shells of arbitrary shape

NASA Astrophysics Data System (ADS)

Bernadou, Michel; Eiroa, Pilar Mato; Trouve, Pascal

1994-10-01

In a recent paper by the same authors, we have thoroughly described how to extend to the case of general shells the well known DKT (discrete Kirchhoff triangle) methods which are now classically used to solve plate problems. In that paper we have also detailed how to realize the implementation and reported some numerical results obtained for classical benchmarks. The aim of this paper is to prove the convergence of a closely related method and to obtain corresponding error estimates.

Photoionization cross sections for atomic chlorine using an open-shell random phase approximation

NASA Technical Reports Server (NTRS)

Starace, A. F.; Armstrong, L., Jr.

1975-01-01

The use of the Random Phase Approximation with Exchange (RPAE) for calculating partial and total photoionization cross sections and photoelectron angular distributions for open shell atoms is examined for atomic chlorine. Whereas the RPAE corrections in argon (Z=18) are large, it is found that those in chlorine (Z=17) are much smaller due to geometric factors. Hartree-Fock calculations with and without core relaxation are also presented. Sizable deviations from the close coupling results of Conneely are also found.

The eddy current probe array for Keda Torus eXperiment.

PubMed

Li, Zichao; Li, Hong; Tu, Cui; Hu, Jintong; You, Wei; Luo, Bing; Tan, Mingsheng; Adil, Yolbarsop; Wu, Yanqi; Shen, Biao; Xiao, Bingjia; Zhang, Ping; Mao, Wenzhe; Wang, Hai; Wen, Xiaohui; Zhou, Haiyang; Xie, Jinlin; Lan, Tao; Liu, Adi; Ding, Weixing; Xiao, Chijin; Liu, Wandong

2016-11-01

In a reversed field pinch device, the conductive shell is placed as close as possible to the plasma so as to balance the plasma during discharge. Plasma instabilities such as the resistive wall mode and certain tearing modes, which restrain the plasma high parameter operation, respond closely with conditions in the wall, in essence the eddy current present. Also, the effect of eddy currents induced by the external coils cannot be ignored when active control is applied to control instabilities. One diagnostic tool, an eddy current probe array, detects the eddy current in the composite shell. Magnetic probes measuring differences between the inner and outer magnetic fields enable estimates of the amplitude and angle of these eddy currents. Along with measurements of currents through the copper bolts connecting the poloidal shield copper shells, we can obtain the eddy currents over the entire shell. Magnetic field and eddy current resolutions approach 2 G and 6 A, respectively. Additionally, the vortex electric field can be obtained by eddy current probes. As the conductivity of the composite shell is high, the eddy current probe array is very sensitive to the electric field and has a resolution of 0.2 mV/cm. In a bench test experiment using a 1/4 vacuum vessel, measurements of the induced eddy currents are compared with simulation results based on a 3D electromagnetic model. The preliminary data of the eddy currents have been detected during discharges in a Keda Torus eXperiment device. The typical value of toroidal and poloidal eddy currents across the magnetic probe coverage rectangular area could reach 3.0 kA and 1.3 kA, respectively.

Validity of the remote food photography method against doubly labeled water among minority preschoolers

USDA-ARS?s Scientific Manuscript database

The aim of this study was to determine the validity of energy intake (EI) estimations made using the remote food photography method (RFPM) compared to the doubly labeled water (DLW) method in minority preschool children in a free-living environment. Seven days of food intake and spot urine samples...

Design-Based Intervention Research as the Science of the Doubly Artificial

ERIC Educational Resources Information Center

Cole, Michael; Packer, Martin

2016-01-01

This article uses a variety of principles of cultural-historical activity theory to extend Herbert Simon's (1996) insight into the inherent linkage between the creation of artifacts and design. We argue that design research must grapple with the doubly artificial, as the classrooms in which many educational designs are implemented are themselves…

On Measuring and Reducing Selection Bias with a Quasi-Doubly Randomized Preference Trial

ERIC Educational Resources Information Center

Joyce, Ted; Remler, Dahlia K.; Jaeger, David A.; Altindag, Onur; O'Connell, Stephen D.; Crockett, Sean

2017-01-01

Randomized experiments provide unbiased estimates of treatment effects, but are costly and time consuming. We demonstrate how a randomized experiment can be leveraged to measure selection bias by conducting a subsequent observational study that is identical in every way except that subjects choose their treatment--a quasi-doubly randomized…

Double ion production in mercury thrusters. M.S. Thesis

NASA Technical Reports Server (NTRS)

Peters, R. R.

1976-01-01

The development of a model which predicts doubly charged ion density is discussed. The accuracy of the model is shown to be good for two different thruster sizes and a total of 11 different cases. The model indicates that in most cases more than 80% of the doubly charged ions are produced from singly charged ions. This result can be used to develop a much simpler model which, along with correlations of the average plasma properties, can be used to determine the doubly charged ion density in ion thrusters with acceptable accuracy. Two different techniques which can be used to reduce the doubly charged ion density while maintaining good thruster operation, are identified as a result of an examination of the simple model. First, the electron density can be reduced and the thruster size then increased to maintain the same propellant utilization. Second, at a fixed thruster size, the plasma density, temperature and energy can be reduced and then to maintain a constant propellant utilization the open area of the grids to neutral propellant loss can be reduced through the use of a small hole accelerator grid.

Evaluation of a doubly-swept blade tip for rotorcraft noise reduction

NASA Technical Reports Server (NTRS)

Wake, Brian E.; Egolf, T. Alan

1992-01-01

A computational study was performed for a doubly-swept rotor blade tip to determine its benefit for high-speed impulsive (HSI) and blade-vortex interaction (BVI) noise. This design consists of aft and forward sweep. For the HSI-noise computations, unsteady Euler calculations were performed for several variations to a rotor blade geometry. A doubly-swept planform was predicted to increase the delocalizing Mach number to 0.94 (representative of a 200+ kt helicopter). For the BVI-noise problem, it had been hypothesized that the doubly-swept blade tip, by producing a leading-edge vortex, would reduce the tip-vortex effect on BVI noise. A procedure was used in which the tip vortex velocity profile computed by a Navier-Stokes solver was used to compute the inflow associated with BVI. This inflow was used by a Euler solver to compute the unsteady pressures for an acoustic analysis. The results of this study were inconclusive due to the difficulty in accurately predicting the viscous tip vortex downstream of the blade. Also, for the condition studied, no leading-edge vortex formed at the tip.

Electron Transfer Ion/Ion Reactions in a Three-Dimensional Quadrupole Ion Trap: Reactions of Doubly and Triply Protonated Peptides with SO2·−

PubMed Central

Pitteri, Sharon J.; Chrisman, Paul A.; Hogan, Jason M.; McLuckey, Scott A.

2005-01-01

Ion–ion reactions between a variety of peptide cations (doubly and triply charged) and SO2 anions have been studied in a 3-D quadrupole ion trap, resulting in proton and electron transfer. Electron transfer dissociation (ETD) gives many c- and z-type fragments, resulting in extensive sequence coverage in the case of triply protonated peptides with SO2·−. For triply charged neurotensin, in which a direct comparison can be made between 3-D and linear ion trap results, abundances of ETD fragments relative to one another appear to be similar. Reactions of doubly protonated peptides with SO2·− give much less structural information from ETD than triply protonated peptides. Collision-induced dissociation (CID) of singly charged ions formed in reactions with SO2·− shows a combination of proton and electron transfer products. CID of the singly charged species gives more structural information than ETD of the doubly protonated peptide, but not as much information as ETD of the triply protonated peptide. PMID:15762593

Use of doubly labeled water technique in soldiers training for jungle warfare

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forbes-Ewan, C.H.; Morrissey, B.L.; Gregg, G.C.

1989-07-01

The doubly labeled water method was used to estimate the energy expended by four members of an Australian Army platoon (34 soldiers) engaged in training for jungle warfare. Each subject received an oral isotope dose sufficient to raise isotope levels by 200-250 ({sup 18}O) and 100-120 ppm ({sup 2}H). The experimental period was 7 days. Concurrently, a factorial estimate of the energy expenditure of the platoon was conducted. Also, a food intake-energy balance study was conducted for the platoon. Mean daily energy expenditure by the doubly labeled water method was 4,750 kcal (range 4,152-5,394 kcal). The factorial estimate of meanmore » daily energy expenditure was 4,535 kcal. Because of inherent inaccuracies in the food intake-energy balance technique, we were able to conclude only that energy expenditure, as measured by this method, was greater than the estimated mean daily intake of 4,040 kcal. The doubly labeled water technique was well tolerated, is noninvasive, and appears to be suitable in a wide range of field applications.« less

Mg/Ca, Sr/Ca, and stable isotopes in modern and Holocene Protothaca staminea shells from a northern California coastal upwelling region

USGS Publications Warehouse

Takesue, R.K.; VanGeen, A.

2004-01-01

This study explores the potential of intertidal Protothaca staminea shells as high-resolution geochemical archives of environmental change in a coastal upwelling region. Mg/Ca and Sr/Ca ratios were analyzed by excimer laser ablation-inductively coupled plasma mass spectrometry (LA-ICP-MS) at sub-weekly temporal resolution in shells growing ???1 mm per month. Growth patterns of a modern P. staminea shell from Humboldt Bay, California, collected in December 1999 made it possible to infer a lifespan from 1993 to 1998. Growth hiatuses in the shell may have excluded records of extreme events. Mg/Ca ratios appeared to be partly controlled by water temperature; the correlation coefficient between temperature and Mg/Ca was r = 0.71 in one of four growth increments. Significant year-to-year differences in the sensitivity of Mg/Ca to temperature in P. staminea could not be explained, however. Sr/Ca ratios appeared to be more closely related to shell growth rate. Oxygen isotopes, measured at 2-week temporal resolution in the same shell, did not show a clear relation to local temperature in summer, possibly because temperatures were higher and less variable at the King Salmon mudflat, where the shell was collected, than in the main channel of Humboldt Bay, where water properties were monitored. Negative shell ??13C values (<-0.5???) marked spring and summer coastal upwelling events. The Mg contents of P. staminea midden shells dated to ???3 ka and ???9 ka were significantly lower than in the modern shell. This may have resulted from degradation of a Mg-rich shell organic matrix and precluded quantitative interpretation of the older high-resolution records. Elevated ??13C values in the ???3 ka shell suggested that the individual grew in highly productive or stratified environment, such as a shallow coastal embayment or lagoon. Copyright ?? 2004 Elsevier Ltd.

Use of an automated chromium reduction system for hydrogen isotope ratio analysis of physiological fluids applied to doubly labeled water analysis.

PubMed

Schoeller, D A; Colligan, A S; Shriver, T; Avak, H; Bartok-Olson, C

2000-09-01

The doubly labeled water method is commonly used to measure total energy expenditure in free-living subjects. The method, however, requires accurate and precise deuterium abundance determinations, which can be laborious. The aim of this study was to evaluate a fully automated, high-throughput, chromium reduction technique for the measurement of deuterium abundances in physiological fluids. The chromium technique was compared with an off-line zinc bomb reduction technique and also subjected to test-retest analysis. Analysis of international water standards demonstrated that the chromium technique was accurate and had a within-day precision of <1 per thousand. Addition of organic matter to water samples demonstrated that the technique was sensitive to interference at levels between 2 and 5 g l(-1). Physiological samples could be analyzed without this interference, plasma by 10000 Da exclusion filtration, saliva by sedimentation and urine by decolorizing with carbon black. Chromium reduction of urine specimens from doubly labeled water studies indicated no bias relative to zinc reduction with a mean difference in calculated energy expenditure of -0.2 +/- 3.9%. Blinded reanalysis of urine specimens from a second doubly labeled water study demonstrated a test-retest coefficient of variation of 4%. The chromium reduction method was found to be a rapid, accurate and precise method for the analysis of urine specimens from doubly labeled water. Copyright 2000 John Wiley & Sons, Ltd.

Demonstration of high coupling efficiency to Al capsule in rugby hohlraum on NIF

NASA Astrophysics Data System (ADS)

Ping, Y.; Smalyuk, V.; Amendt, P.; Bennett, D.; Chen, H.; Dewald, E.; Goyon, C.; Graziani, F.; Johnson, S.; Khan, S.; Landen, O.; Nikroo, A.; Pino, J.; Ralph, J.; Seugling, R.; Strozzi, D.; Tipton, R.; Tommasini, R.; Wang, M.; Loomis, E.; Merritt, E.; Montgomery, D.

2017-10-01

A new design of the double-shell approach predicts a high coupling efficiency from the hohlraum to the capsule, with 700 kJ in the capsule instead of 200kJ in the conventional low-Z single-shell scheme, improving prospects of double-shell performance. A recent experiment on NIF has evaluated a first step toward this goal of energy coupling using 0.7x subscale Al capsule, Au rugby hohlraum and 1MJ drive. A shell velocity of 150 μm/ns was measured, DANTE peak temperature of 255 eV was measured, and shell kinetic energy of 36 kJ was inferred using a rocket model, all close to predictions and consistent with 330kJ of total energy coupled to the capsule. Data analysis and more results from subsequent experiments will be presented. In the next step, an additional 2x increase of total coupled energy up to 700 kJ is projected for full-scale 2-MJ drive in U Rugby hohlraum. This work was performed under DOE contract DE-AC52-07NA27344.

Shape coexistence close to N = 50 in the neutron-rich isotope 80Ge investigated by IBM-2

NASA Astrophysics Data System (ADS)

Zhang, Da-Li; Mu, Cheng-Fu

2018-02-01

The properties of the low-lying states, especially the relevant shape coexistence in 80Ge, close to one of most neutron-rich doubly magic nuclei at N = 50 and Z = 28, have been investigated within the framework of the proton-neutron interacting model (IBM-2). Based on the fact that the relative energy of the d neutron boson is different from that of the proton boson, the calculated energy levels of low-lying states and E2 transition strengths can reproduce the experimental data very well. Particularly, the first excited state {0}2+, which is intimately related to the shape coexistence phenomenon, is reproduced quite nicely. The {ρ }2(E0,{0}2+\\to {0}1+) transition strength is also predicted. The experimental data and theoretical results indicate that both collective spherical and γ-soft vibration structures coexist in 80Ge. Supported by National Natural Science Foundation of China (11475062, 11647306, 11147148)

Topology optimization of 3D shell structures with porous infill

NASA Astrophysics Data System (ADS)

Clausen, Anders; Andreassen, Erik; Sigmund, Ole

2017-08-01

This paper presents a 3D topology optimization approach for designing shell structures with a porous or void interior. It is shown that the resulting structures are significantly more robust towards load perturbations than completely solid structures optimized under the same conditions. The study indicates that the potential benefit of using porous structures is higher for lower total volume fractions. Compared to earlier work dealing with 2D topology optimization, we found several new effects in 3D problems. Most notably, the opportunity for designing closed shells significantly improves the performance of porous structures due to the sandwich effect. Furthermore, the paper introduces improved filter boundary conditions to ensure a completely uniform coating thickness at the design domain boundary.

Constrained Hartree-Fock Theory and Study of Deformed Structures of Closed Shell Nuclei

NASA Astrophysics Data System (ADS)

Praharaj, Choudhury

2016-03-01

We have studied some N or Z = 50 nuclei in a microscopic model with effective interaction in a reasonably large shell model space. Excitation of particles across 50 shell closure leads to well-deformed excited prolate configurations. The potential energy surfaces of nuclei are studied using Hartree-Fock theory with quadrupole constraint to explore the various deformed configurations of N = 50 nuclei 82Ge , 84Se and 86Kr . Energy spectra are calculated from various intrinsic states using Peierls-Yoccoz angular momentum projection technique. Results of spectra and electromagnetic moments and transitions will be presented for N = 50 nuclei and for Z = 50 114Sn nucleus. Supported by Grant No SB/S2/HEP-06/2013 of DST.

Large-scale thermal energy storage using sodium hydroxide /NaOH/

NASA Technical Reports Server (NTRS)

Turner, R. H.; Truscello, V. C.

1977-01-01

A technique employing NaOH phase change material for large-scale thermal energy storage to 900 F (482 C) is described; the concept consists of 12-foot diameter by 60-foot long cylindrical steel shell with closely spaced internal tubes similar to a shell and tube heat exchanger. The NaOH heat storage medium fills the space between the tubes and outer shell. To charge the system, superheated steam flowing through the tubes melts and raises the temperature of NaOH; for discharge, pressurized water flows through the same tube bundle. A technique for system design and cost estimation is shown. General technical and economic properties of the storage unit integrated into a solar power plant are discussed.

Core-shell quantum dots tailor the fluorescence of dental resin composites.

PubMed

Alves, Leandro P; Pilla, Viviane; Murgo, Dírian O A; Munin, Egberto

2010-02-01

We characterized the optical properties, such as absorbance and fluorescence, of dental resins containing quantum dots (QD). We also determined the doping level needed to obtain a broad and nearly flat emission spectrum that provides the perception of white color. The samples studied were resin composites from Charisma (Heraeus Kulzer) prepared with CdSe/ZnS core-shell QD (0.05-0.77 mass%). The results showed that the fluorescence of dental resin composites can be tailored by using CdSe/ZnS core-shell quantum dots. QD core incorporation into dental resins allows the fabrication of restorative materials with fluorescence properties that closely match those of natural human teeth. Copyright 2009 Elsevier Ltd. All rights reserved.

Lasing from colloidal InP/ZnS quantum dots.

PubMed

Gao, Shuai; Zhang, Chunfeng; Liu, Yanjun; Su, Huaipeng; Wei, Lai; Huang, Tony; Dellas, Nicholas; Shang, Shuzhen; Mohney, Suzanne E; Wang, Jingkang; Xu, Jian

2011-03-14

High-quality InP/ZnS core-shell nanocrystal quantum dots (NQDs) were synthesized as a heavy-metal-free alternative to the gain media of cadmium-based colloidal nanoparticles. Upon UV excitation, amplified spontaneous emission (ASE) and optical gain were observed, for the first time, in close-packed InP/ZnS core-shell NQDs. The ASE wavelength can be selected by tailoring the nanocrystal size over a broad range of the spectrum. Moreover, the optical gain profile of InP/ZnS NQDs was matched to the second order feedback of holographic polymer-dispersed liquid crystal gratings, leading to the very first demonstration of an optically-pumped, nanocrystal laser based on InP/ZnS core-shell NQDs.

Pathologies of van Stockum dust/Tipler's time machine

NASA Astrophysics Data System (ADS)

Lindsay, David S.

2016-09-01

We study the internal solution, and external vacuum solution for radial cutoff, of "van Stockum dust", an infinitely long rotating pressureless dust column; its density increases with radius. This interesting but poorly explored spacetime turns out to have a number of exotic properties, especially in the external vacuum region. These solutions have been known for decades, but it seems that they have never been investigated in detail. In this paper we analyze them and describe their peculiar properties. There are three regimes of radial cutoff that are of interest: (1) If the dust column is thick enough that closed timelike loops (CTLs or "time machines") exist inside the column, then the radius of the entire "universe" is finite, and in fact does not extend much beyond the edge of the matter, even though the metric's radial parameter is unbounded. This interesting finite proper radius seems to have been missed by earlier investigators. Other exotic properties of the external vacuum in this regime: CTLs exist in cylindrical shells, alternating with shells having no circular CTLs; there are infinitely many such shells, getting closer and closer together as one gets farther from the rotation axis. Also, a separate set of infinitely many cylindrical shells exists, having what might be termed "extreme frame-dragging", within which motion is possible only in one direction; they alternate with "normal" shells allowing motion in either direction. Gravitational attraction and tides increase with distance from the matter column, and diverge at the "edge of the universe". In addition, though the radius of the universe is finite, its circumference is infinite; and its boundary is a circle, not a cylinder (the z-axis has shrunk to nothing at the edge). (2) For smaller radial cutoff, but still large enough to produce CTLs, the radius of the universe is infinite; but there are still infinitely many cylindrical shells of CTLs alternating with non-CTL shells. However, the innermost shell begins substantially outside the dust, making this solution even stranger—you have to back away from the matter to find a CTL! And, regardless of how far away you are, there are still infinitely many CTL shells beyond you, the closest only a finite distance away. (3) For radial cutoff too close to produce CTLs, the external solution is more benign; nearby it perhaps approximates that of a finite rotating rod. But "planes" of constant z approach each other at large radii, so that any two enclose a shape somewhat like two pie-pans facing each other and glued together at their edges.

Multishelled NiO Hollow Microspheres for High-performance Supercapacitors with Ultrahigh Energy Density and Robust Cycle Life

PubMed Central

Qi, Xinhong; Zheng, Wenji; Li, Xiangcun; He, Gaohong

2016-01-01

Multishelled NiO hollow microspheres for high-performance supercapacitors have been prepared and the formation mechanism has been investigated. By using resin microspheres to absorb Ni2+ and subsequent proper calcinations, the shell numbers, shell spacing and exterior shell structure were facilely controlled via varying synthetic parameters. Particularly, the exterior shell structure that accurately associated with the ion transfer is finely controlled by forming a single shell or closed exterior double-shells. Among multishelled NiO hollow microspheres, the triple-shelled NiO with an outer single-shelled microspheres show a remarkable capacity of 1280 F g−1 at 1 A g−1, and still keep a high value of 704 F g−1 even at 20 A g−1. The outstanding performances are attributed to its fast ion/electron transfer, high specific surface area and large shell space. The specific capacitance gradually increases to 108% of its initial value after 2500 cycles, demonstrating its high stability. Importantly, the 3S-NiO-HMS//RGO@Fe3O4 asymmetric supercapacitor shows an ultrahigh energy density of 51.0 Wh kg−1 at a power density of 800 W kg−1, and 78.8% capacitance retention after 10,000 cycles. Furthermore, multishelled NiO can be transferred into multishelled Ni microspheres with high-efficient H2 generation rate of 598.5 mL H2 min−1 g−1Ni for catalytic hydrolysis of NH3BH3 (AB). PMID:27616420

Seasonal Changes in the Isotopic Compositions and Sinking Fluxes of Euthecosomatous Pteropod Shells in the Sargasso Sea

NASA Astrophysics Data System (ADS)

Fabry, V. J.; Deuser, W. G.

1992-04-01

Seasonal variations in the oxygen and carbon isotopic compositions and fluxes of five euthecosomatous pteropods were determined from a 14-month series of sediment trap deployments in the Sargasso Sea. Medium and large shell sizes of Styliola subula, Clio pyramidata, Limacina inflata, Creseis acicula, and Cuvierina columnella were collected throughout the sampling period. Comparisons of the δ18O of shell samples with the vertical and temporal variations in the calculated δ18O of aragonite in equilibrium with seawater suggest that these pteropods deposited the bulk of their shell mass at the following depths: S. subula and L. inflata at 50 m, C. pyramidata at 75 m, C. acicula in the upper 25 m, and C. columnella at 50-75 m. Although several of these species undergo diel vertical migration of several hundred meters in this region, the estimated depths of calcification match the upper parts of the species' vertical ranges, where the mean populations occur only at night. In all species, seasonal changes in the δ18O of shells were closely coupled to those of equilibrium δ18O for aragonite, suggesting that most of the shell mass of these individuals was formed within several months. Flux-weighted, mean δ18O values for the species reveal that seasonal variations in the sinking fluxes of shells would not affect the isotopic compositions of shell accumulations in Bermuda Rise sediments. Carbon and oxygen isotopes were positively correlated in all species except C. columnella, which suggests that temperature may influence the δ13C of the shells of these species.

Ancient DNA analysis identifies marine mollusc shells as new metagenomic archives of the past.

PubMed

Der Sarkissian, Clio; Pichereau, Vianney; Dupont, Catherine; Ilsøe, Peter C; Perrigault, Mickael; Butler, Paul; Chauvaud, Laurent; Eiríksson, Jón; Scourse, James; Paillard, Christine; Orlando, Ludovic

2017-09-01

Marine mollusc shells enclose a wealth of information on coastal organisms and their environment. Their life history traits as well as (palaeo-) environmental conditions, including temperature, food availability, salinity and pollution, can be traced through the analysis of their shell (micro-) structure and biogeochemical composition. Adding to this list, the DNA entrapped in shell carbonate biominerals potentially offers a novel and complementary proxy both for reconstructing palaeoenvironments and tracking mollusc evolutionary trajectories. Here, we assess this potential by applying DNA extraction, high-throughput shotgun DNA sequencing and metagenomic analyses to marine mollusc shells spanning the last ~7,000 years. We report successful DNA extraction from shells, including a variety of ancient specimens, and find that DNA recovery is highly dependent on their biomineral structure, carbonate layer preservation and disease state. We demonstrate positive taxonomic identification of mollusc species using a combination of mitochondrial DNA genomes, barcodes, genome-scale data and metagenomic approaches. We also find shell biominerals to contain a diversity of microbial DNA from the marine environment. Finally, we reconstruct genomic sequences of organisms closely related to the Vibrio tapetis bacteria from Manila clam shells previously diagnosed with Brown Ring Disease. Our results reveal marine mollusc shells as novel genetic archives of the past, which opens new perspectives in ancient DNA research, with the potential to reconstruct the evolutionary history of molluscs, microbial communities and pathogens in the face of environmental changes. Other future applications include conservation of endangered mollusc species and aquaculture management. © 2017 John Wiley & Sons Ltd.

The influence of MOVPE growth conditions on the shell of core-shell GaN microrod structures

NASA Astrophysics Data System (ADS)

Schimpke, Tilman; Avramescu, Adrian; Koller, Andreas; Fernando-Saavedra, Amalia; Hartmann, Jana; Ledig, Johannes; Waag, Andreas; Strassburg, Martin; Lugauer, Hans-Jürgen

2017-05-01

A core-shell geometry is employed for most next-generation, three-dimensional opto-electric devices based on III-V semiconductors and grown by metal organic vapor phase epitaxy (MOVPE). Controlling the shape of the shell layers is fundamental for device optimization, however no detailed analysis of the influence of growth conditions has been published to date. We study homogeneous arrays of gallium nitride core-shell microrods with height and diameter in the micrometer range and grown in a two-step selective area MOVPE process. Changes in shell shape and homogeneity effected by deliberately altered shell growth conditions were accurately assessed by digital analysis of high-resolution scanning electron microscope images. Most notably, two temperature regimes could be established, which show a significantly different behavior with regard to material distribution. Above 900 °C of wafer carrier temperature, the shell thickness along the growth axis of the rods was very homogeneous, however variations between vicinal rods increase. In contrast, below 830 °C the shell thickness is higher close to the microrod tip than at the base of the rods, while the lateral homogeneity between neighboring microrods is very uniform. This temperature effect could be either amplified or attenuated by changing the remaining growth parameters such as reactor pressure, structure distance, gallium precursor, carrier gas composition and dopant materials. Possible reasons for these findings are discussed with respect to GaN decomposition as well as the surface and gas phase diffusion of growth species, leading to an improved control of the functional layers in next-generation 3D V-III devices.

Interplay of quasiparticle-vibration coupling and pairing correlations on β-decay half-lives

NASA Astrophysics Data System (ADS)

Niu, Y. F.; Niu, Z. M.; Colò, G.; Vigezzi, E.

2018-05-01

The nuclear β-decay half-lives of Ni and Sn isotopes, around the closed shell nuclei 78Ni and 132Sn, are investigated by computing the distribution of the Gamow-Teller strength using the Quasiparticle Random Phase Approximation (QRPA) with quasiparticle-vibration coupling (QPVC), based on ground-state properties obtained by Hartree-Fock-Bogoliubov (HFB) calculations. We employ the effective interaction SkM* and a zero-range effective pairing force. The half-lives are strongly reduced by including the QPVC. We study in detail the effects of isovector (IV) and isoscalar (IS) pairing. Increasing the IV strength tends to increase the lifetime for nuclei in the proximity of, but lighter than, the closed-shell ones in QRPA calculations, while the effect is significantly reduced by taking into account the QPVC. On the contrary, the IS pairing mainly plays a role for nuclei after the shell closure. Increasing its strength decreases the half-lives, and the effect at QRPA and QRPA+QPVC level is comparable. The effect of IS pairing is particularly pronounced in the case of the Sn isotopes, where it turns out to be instrumental to obtain good agreement with experimental data.

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

PubMed Central

Mallette, Evan

2017-01-01

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. PMID:27927988

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

PubMed

Mallette, Evan; Kimber, Matthew S

2017-01-27

Bacterial microcompartments are bacterial analogs of eukaryotic organelles in that they spatially segregate aspects of cellular metabolism, but they do so by building not a lipid membrane but a thin polyhedral protein shell. Although multiple shell protein structures are known for several microcompartment types, additional uncharacterized components complicate systematic investigations of shell architecture. We report here the structures of all four proteins proposed to form the shell of an uncharacterized microcompartment designated the Rhodococcus and Mycobacterium microcompartment (RMM), which, along with crystal interactions and docking studies, suggests possible models for the particle's vertex and edge organization. MSM0272 is a typical hexameric β-sandwich shell protein thought to form the bulk of the facet. MSM0273 is a pentameric β-barrel shell protein that likely plugs the vertex of the particle. MSM0271 is an unusual double-ringed bacterial microcompartment shell protein whose rings are organized in an offset position relative to all known related proteins. MSM0275 is related to MSM0271 but self-organizes as linear strips that may line the facet edge; here, the presence of a novel extendable loop may help ameliorate poor packing geometry of the rigid main particle at the angled edges. In contrast to previously characterized homologs, both of these proteins show closed pores at both ends. This suggests a model where key interactions at the vertex and edges are mediated at the inner layer of the shell by MSM0271 (encircling MSM0273) and MSM0275, and the facet is built from MSM0272 hexamers tiling in the outer layer of the shell. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Open-shell characters and second hyperpolarizabilities of one-dimensional graphene nanoflakes composed of trigonal graphene units.

PubMed

Yoneda, Kyohei; Nakano, Masayoshi; Fukui, Hitoshi; Minami, Takuya; Shigeta, Yasuteru; Kubo, Takashi; Botek, Edith; Champagne, Benoît

2011-06-20

The impact of topology on the open-shell characters and the second hyperpolarizabilities (γ) has been addressed for one-dimensional graphene nanoflakes (GNFs) composed of the smallest trigonal graphene (phenalenyl) units. The main results are: 1) These GNFs show not only diradical but also multiradical characters when increasing the number of linked units. 2) GNFs composed of an equivalent number of units can exhibit a wide range of open-shell characters-from nearly closed-shell to pure multiradical characters-depending on the linking pattern of the trigonal units. 3) This wide variation in open-shell characters is explained by their resonance structures and/or by their (HOMO-i)-(LUMO+i) gaps deduced from the orbital correlations. 4) The change in the linking structure of the units can effectively control their open-shell characters as well as their γ values, of which the longitudinal components are significantly enhanced for the singlet GNFs having intermediate open-shell characters. 5) Singlet alternately linked (AL) systems present intermediate multiradical characters even in the case of a large number of units, which creates a significant enhancement of γ with increasing the size, whereas nonalternately linked (NAL) systems, which present pure multiradical characters, possess much smaller γ values. Finally 6) by switching from the singlet to the highest spin states, the γ values of NAL systems hardly change, whereas those of AL systems exhibit large reductions. These fascinating structure-property relationships between the topology of the GNFs, their open-shell characters, and their γ values not only deepen the understanding of open-shell characters of GNFs but aim also at stimulating further design studies to achieve giant NLO responses based on open-shell graphene-like materials. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moraes, Manoel; Diaz, Marcos

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 structuremore » 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.« less

Ab initio excited states from the in-medium similarity renormalization group

NASA Astrophysics Data System (ADS)

Parzuchowski, N. M.; Morris, T. D.; Bogner, S. K.

2017-04-01

We present two new methods for performing ab initio calculations of excited states for closed-shell systems within the in-medium similarity renormalization group (IMSRG) framework. Both are based on combining the IMSRG with simple many-body methods commonly used to target excited states, such as the Tamm-Dancoff approximation (TDA) and equations-of-motion (EOM) techniques. In the first approach, a two-step sequential IMSRG transformation is used to drive the Hamiltonian to a form where a simple TDA calculation (i.e., diagonalization in the space of 1 p 1 h excitations) becomes exact for a subset of eigenvalues. In the second approach, EOM techniques are applied to the IMSRG ground-state-decoupled Hamiltonian to access excited states. We perform proof-of-principle calculations for parabolic quantum dots in two dimensions and the closed-shell nuclei 16O and 22O. We find that the TDA-IMSRG approach gives better accuracy than the EOM-IMSRG when calculations converge, but it is otherwise lacking the versatility and numerical stability of the latter. Our calculated spectra are in reasonable agreement with analogous EOM-coupled-cluster calculations. This work paves the way for more interesting applications of the EOM-IMSRG approach to calculations of consistently evolved observables such as electromagnetic strength functions and nuclear matrix elements, and extensions to nuclei within one or two nucleons of a closed shell by generalizing the EOM ladder operator to include particle-number nonconserving terms.

Axisymmetric inertial modes in a spherical shell at low Ekman numbers

NASA Astrophysics Data System (ADS)

Rieutord, M.; Valdettaro, L.

2018-06-01

We investigate the asymptotic properties of axisymmetric inertial modes propagating in a spherical shell when viscosity tends to zero. We identify three kinds of eigenmodes whose eigenvalues follow very different laws as the Ekman number $E$ becomes very small. First are modes associated with attractors of characteristics that are made of thin shear layers closely following the periodic orbit traced by the characteristic attractor. Second are modes made of shear layers that connect the critical latitude singularities of the two hemispheres of the inner boundary of the spherical shell. Third are quasi-regular modes associated with the frequency of neutral periodic orbits of characteristics. We thoroughly analyse a subset of attractor modes for which numerical solutions point to an asymptotic law governing the eigenvalues. We show that three length scales proportional to $E^{1/6}$, $E^{1/4}$ and $E^{1/3}$ control the shape of the shear layers that are associated with these modes. These scales point out the key role of the small parameter $E^{1/12}$ in these oscillatory flows. With a simplified model of the viscous Poincar\\'e equation, we can give an approximate analytical formula that reproduces the velocity field in such shear layers. Finally, we also present an analysis of the quasi-regular modes whose frequencies are close to $\\sin(\\pi/4)$ and explain why a fluid inside a spherical shell cannot respond to any periodic forcing at this frequency when viscosity vanishes.

Electrochemical Properties of Boron-Doped Fullerene Derivatives for Lithium-Ion Battery Applications.

PubMed

Sood, Parveen; Kim, Ki Chul; Jang, Seung Soon

2018-03-19

The high electron affinity of fullerene C 60 coupled with the rich chemistry of carbon makes it a promising material for cathode applications in lithium-ion batteries. Since boron has one electron less than carbon, the presence of boron on C 60 cages is expected to generate electron deficiency in C 60 , and thereby to enhance its electron affinity. By using density functional theory (DFT), we studied the redox potentials and electronic properties of C 60 and C 59 B. We have found that doping C 60 with one boron atom results in a substantial increase in redox potential from 2.462 V to 3.709 V, which was attributed to the formation of an open shell system. We also investigated the redox and electronic properties of C 59 B functionalized with various redox-active oxygen containing functional groups (OCFGs). For the combination of functionalization with OCFGs and boron doping, it is found that the enhancement of redox potential is reduced, which is mainly attributed to the open shell structure being changed to a closed-shell one. Nevertheless, the redox potentials are still higher than that of pristine C 60 . From the observation that the lowest unoccupied molecular orbital of closed-shell OCFG- functionalized C 59 B is correlated well with the redox potential, it was confirmed that the spin state is crucial to be considered to understand the relationship between electronic structure and redox properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Three-Space Interaction in Doubly Sinusoidal Periodic Media

NASA Astrophysics Data System (ADS)

Tian-Lin, Dong; Ping, Chen

2006-06-01

Three-space-harmonic (3SH) interaction in doubly sinusoidal periodic (DSP) medium is investigated. Associated physical effects such as additional gap, defect state, and indirect gaps, are theoretically and numerically revealed. This simple DSP model can facilitate the understanding and utilizing of a series of effects in rather complicated periodic structures with additional defect or modulation.

Doubly fed induction generator wind turbines with fuzzy controller: a survey.

PubMed

Sathiyanarayanan, J S; Kumar, A Senthil

2014-01-01

Wind energy is one of the extraordinary sources of renewable energy due to its clean character and free availability. With the increasing wind power penetration, the wind farms are directly influencing the power systems. The majority of wind farms are using variable speed wind turbines equipped with doubly fed induction generators (DFIG) due to their advantages over other wind turbine generators (WTGs). Therefore, the analysis of wind power dynamics with the DFIG wind turbines has become a very important research issue, especially during transient faults. This paper presents fuzzy logic control of doubly fed induction generator (DFIG) wind turbine in a sample power system. Fuzzy logic controller is applied to rotor side converter for active power control and voltage regulation of wind turbine.

Signals of doubly-charged Higgsinos at the CERN Large Hadron Collider

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demir, Durmus A.; Deutsches Elektronen--Synchrotron, DESY, D-22603 Hamburg; Frank, Mariana

2008-08-01

Several supersymmetric models with extended gauge structures, motivated by either grand unification or by neutrino mass generation, predict light doubly-charged Higgsinos. In this work we study productions and decays of doubly-charged Higgsinos present in left-right supersymmetric models, and show that they invariably lead to novel collider signals not found in the minimal supersymmetric model or in any of its extensions motivated by the {mu} problem or even in extra dimensional theories. We investigate their distinctive signatures at the Large Hadron Collider in both pair- and single-production modes, and show that they are powerful tools in determining the underlying model viamore » the measurements at the Large Hadron Collider experiments.« less

Laser-induced breakup of helium 3S 1s2s with intermediate doubly excited states

NASA Astrophysics Data System (ADS)

Simonsen, A. S.; Bachau, H.; Førre, M.

2014-02-01

Solving the time-dependent Schrödinger equation in full dimensionality for two electrons, it is found that in the XUV regime the two-photon double ionization dynamics of He(1s2s) is predominantly dictated by the process of resonance enhanced multiphoton ionization via doubly excited states (DESs). We have studied a pump-probe scenario where the full laser-driven breakup of the 3S 1s2s metastable state is dominated by intermediate quasiresonant excitation to doubly excited (autoionizing) states in the 3Po series. Clear evidence of multipath interference effects is revealed in the resulting angular distributions of the ejected electrons in cases where more than one intermediate DES is populated in the process.

Hydrogen and helium shell burning during white dwarf accretion

NASA Astrophysics Data System (ADS)

Cui, Xiao; Meng, Xiang-Cun; Han, Zhan-Wen

2018-05-01

Type Ia supernovae (SNe Ia) are believed to be thermonuclear explosions of carbon oxygen (CO) white dwarfs (WDs) with masses close to the Chandrasekhar mass limit. How a CO WD accretes matter and grows in mass to this limit is not well understood, hindering our understanding of SN Ia explosions and the reliability of using SNe Ia as a cosmological distance indicator. In this work, we employed the stellar evolution code MESA to simulate the accretion process of hydrogen-rich material onto a 1.0 M ⊙ CO WD at a high rate (over the Eddington limit) of 4.3 × 10‑7 M ⊙ yr‑1. The simulation demonstrates the characteristics of the double shell burning on top of the WD, with a hydrogen shell burning on top of a helium burning shell. The results show that helium shell burning is not steady (i.e. it flashes). Flashes from the helium shell are weaker than those in the case of accretion of helium-rich material onto a CO WD. The carbon to oxygen mass ratio resulting from the helium shell burning is higher than what was previously thought. Interestingly, the CO WD growing due to accretion has an outer part containing a small fraction of helium in addition to carbon and oxygen. The flashes become weaker and weaker as the accretion continues.

Elevated extracellular pH during early shell formation in the blue mussel Mytilus edulis

NASA Astrophysics Data System (ADS)

Ramesh, K.; Melzner, F.; Himmerkus, N.; Hu, M.; Bleich, M.

2016-02-01

Marine calcifiers are amongst the most vulnerable organisms to ocean acidification (OA). However, limited studies investigate the mechanisms underlying their hindered performance under OA stress. Working with larval stages of the blue mussel, Mytilus edulis, we use microsensors to study the pH and calcium conditions necessary for shell deposition. Using 45-48 hour, D-veliger stages, we discover alkaline conditions with respect to ambient seawater pH by 0.28 pH units and higher calcium concentrations (by 0.54mM) in the extra pallial space beneath the growing shell that likely promotes the rapid synthesis of the first shell. We further use enzyme assays in combination with immuno-stainings of sodium-potassium ATPase (NKA) and proton ATPase (VHA) to provide information on the major ion regulatory pathways that enable transport of calcium carbonate required for shell formation and pH homeostasis. We also use the juvenile stages of M. edulis to understand how extracellular pH regulation close to the shell formation site will be influenced by OA stress. This allows us to describe the pH dependency of early shell formation and to begin to develop a model of the ion regulatory network that facilitates biomineralisation in the organism. The results are discussed in the context of environmental change and consequences for mollusc developmental success.

Stabilization and functionalization of iron oxide nanoparticles for biomedical applications

NASA Astrophysics Data System (ADS)

Amstad, Esther; Textor, Marcus; Reimhult, Erik

2011-07-01

Superparamagnetic iron oxide nanoparticles (NPs) are used in a rapidly expanding number of research and practical applications in the biomedical field, including magnetic cell labeling separation and tracking, for therapeutic purposes in hyperthermia and drug delivery, and for diagnostic purposes, e.g., as contrast agents for magnetic resonance imaging. These applications require good NP stability at physiological conditions, close control over NP size and controlled surface presentation of functionalities. This review is focused on different aspects of the stability of superparamagnetic iron oxide NPs, from its practical definition to its implementation by molecular design of the dispersant shell around the iron oxide core and further on to its influence on the magnetic properties of the superparamagnetic iron oxide NPs. Special attention is given to the selection of molecular anchors for the dispersant shell, because of their importance to ensure colloidal and functional stability of sterically stabilized superparamagnetic iron oxide NPs. We further detail how dispersants have been optimized to gain close control over iron oxide NP stability, size and functionalities by independently considering the influences of anchors and the attached sterically repulsive polymer brushes. A critical evaluation of different strategies to stabilize and functionalize core-shell superparamagnetic iron oxide NPs as well as a brief introduction to characterization methods to compare those strategies is given.Superparamagnetic iron oxide nanoparticles (NPs) are used in a rapidly expanding number of research and practical applications in the biomedical field, including magnetic cell labeling separation and tracking, for therapeutic purposes in hyperthermia and drug delivery, and for diagnostic purposes, e.g., as contrast agents for magnetic resonance imaging. These applications require good NP stability at physiological conditions, close control over NP size and controlled surface presentation of functionalities. This review is focused on different aspects of the stability of superparamagnetic iron oxide NPs, from its practical definition to its implementation by molecular design of the dispersant shell around the iron oxide core and further on to its influence on the magnetic properties of the superparamagnetic iron oxide NPs. Special attention is given to the selection of molecular anchors for the dispersant shell, because of their importance to ensure colloidal and functional stability of sterically stabilized superparamagnetic iron oxide NPs. We further detail how dispersants have been optimized to gain close control over iron oxide NP stability, size and functionalities by independently considering the influences of anchors and the attached sterically repulsive polymer brushes. A critical evaluation of different strategies to stabilize and functionalize core-shell superparamagnetic iron oxide NPs as well as a brief introduction to characterization methods to compare those strategies is given. This article was submitted as part of a collection of articles on surface nanotechnology for biological applications. Other papers on this topic can be found in issue 2 of vol. 3 (2011). This issue can be found from the Nanoscale homepage [http://www.rsc.org/nanoscale].

Gamow-Teller response in the configuration space of a density-functional-theory-rooted no-core configuration-interaction model

NASA Astrophysics Data System (ADS)

Konieczka, M.; Kortelainen, M.; Satuła, W.

2018-03-01

Background: The atomic nucleus is a unique laboratory in which to study fundamental aspects of the electroweak interaction. This includes a question concerning in medium renormalization of the axial-vector current, which still lacks satisfactory explanation. Study of spin-isospin or Gamow-Teller (GT) response may provide valuable information on both the quenching of the axial-vector coupling constant as well as on nuclear structure and nuclear astrophysics. Purpose: We have performed a seminal calculation of the GT response by using the no-core configuration-interaction approach rooted in multireference density functional theory (DFT-NCCI). The model treats properly isospin and rotational symmetries and can be applied to calculate both the nuclear spectra and transition rates in atomic nuclei, irrespectively of their mass and particle-number parity. Methods: The DFT-NCCI calculation proceeds as follows: First, one builds a configuration space by computing relevant, for a given physical problem, (multi)particle-(multi)hole Slater determinants. Next, one applies the isospin and angular-momentum projections and performs the isospin and K mixing in order to construct a model space composed of linearly dependent states of good angular momentum. Eventually, one mixes the projected states by solving the Hill-Wheeler-Griffin equation. Results: The method is applied to compute the GT strength distribution in selected N ≈Z nuclei including the p -shell 8Li and 8Be nuclei and the s d -shell well-deformed nucleus 24Mg. In order to demonstrate a flexibility of the approach we present also a calculation of the superallowed GT β decay in doubly-magic spherical 100Sn and the low-spin spectrum in 100In. Conclusions: It is demonstrated that the DFT-NCCI model is capable of capturing the GT response satisfactorily well by using a relatively small configuration space, exhausting simultaneously the GT sum rule. The model, due to its flexibility and broad range of applicability, may either serve as a complement or even as an alternative to other theoretical approaches, including the conventional nuclear shell model.

39. Historic American Buildings Survey E. W. Russell, Photographer, May ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

39. Historic American Buildings Survey E. W. Russell, Photographer, May 7, 1936 CLOSE-UP OF ROTUNDA BALUSTRADE, THIRD FLOOR - Spring Hill College, Main Building, Old Shell Road, Spring Hill, Mobile County, AL

21. Historic American Buildings Survey E. W. Russell, Photographer, May ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

21. Historic American Buildings Survey E. W. Russell, Photographer, May 7, 1936 CLOSE-UP OF IRON COLUMN CAP, SOUTH PORTICO - Spring Hill College, Main Building, Old Shell Road, Spring Hill, Mobile County, AL

15. Historic American Buildings Survey E. W. Russell, Photographer, May ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

15. Historic American Buildings Survey E. W. Russell, Photographer, May 8, 1936 CLOSE-UP OF CORNICE ON REAR OF BUILDING - Spring Hill College, Main Building, Old Shell Road, Spring Hill, Mobile County, AL

The argonaut shell: gas-mediated buoyancy control in a pelagic octopus

PubMed Central

Finn, Julian K.; Norman, Mark D.

2010-01-01

Argonauts (Cephalopoda: Argonautidae) are a group of rarely encountered open-ocean pelagic octopuses with benthic ancestry. Female argonauts inhabit a brittle ‘paper nautilus’ shell, the role of which has puzzled naturalists for millennia. The primary role attributed to the shell has been as a receptacle for egg deposition and brooding. Our observations of wild argonauts have revealed that the thin calcareous shell also functions as a hydrostatic structure, employed by the female argonaut to precisely control buoyancy at varying depths. Female argonauts use the shell to ‘gulp’ a measured volume of air at the sea surface, seal off the captured gas using flanged arms and forcefully dive to a depth where the compressed gas buoyancy counteracts body weight. This process allows the female argonaut to attain neutral buoyancy at depth and potentially adjust buoyancy to counter the increased (and significant) weight of eggs during reproductive periods. Evolution of this air-capture strategy enables this negatively buoyant octopus to survive free of the sea floor. This major shift in life mode from benthic to pelagic shows strong evolutionary parallels with the origins of all cephalopods, which attained gas-mediated buoyancy via the closed-chambered shells of the true nautiluses and their relatives. PMID:20484241

Doubly labelled water assessment of energy expenditure: principle, practice, and promise.

PubMed

Westerterp, Klaas R

2017-07-01

The doubly labelled water method for the assessment of energy expenditure was first published in 1955, application in humans started in 1982, and it has become the gold standard for human energy requirement under daily living conditions. The method involves enriching the body water of a subject with heavy hydrogen ( 2 H) and heavy oxygen ( 18 O), and then determining the difference in washout kinetics between both isotopes, being a function of carbon dioxide production. In practice, subjects get a measured amount of doubly labelled water ( 2 H 2 18 O) to increase background enrichment of body water for 18 O of 2000 ppm with at least 180 ppm and background enrichment of body water for 2 H of 150 ppm with 120 ppm. Subsequently, the difference between the apparent turnover rates of the hydrogen and oxygen of body water is assessed from blood-, saliva-, or urine samples, collected at the start and end of the observation interval of 1-3 weeks. Samples are analyzed for 18 O and 2 H with isotope ratio mass spectrometry. The doubly labelled water method is the indicated method to measure energy expenditure in any environment, especially with regard to activity energy expenditure, without interference with the behavior of the subjects. Applications include the assessment of energy requirement from total energy expenditure, validation of dietary assessment methods and validation of physical activity assessment methods with doubly labelled water measured energy expenditure as reference, and studies on body mass regulation with energy expenditure as a determinant of energy balance.

Full Two-Body Problem Mass Parameter Observability Explored Through Doubly Synchronous Systems

NASA Astrophysics Data System (ADS)

Davis, Alex Benjamin; Scheeres, Daniel

2018-04-01

The full two-body problem (F2BP) is often used to model binary asteroid systems, representing the bodies as two finite mass distributions whose dynamics are influenced by their mutual gravity potential. The emergent behavior of the F2BP is highly coupled translational and rotational mutual motion of the mass distributions. For these systems the doubly synchronous equilibrium occurs when both bodies are tidally-locked and in a circular co-orbit. Stable oscillations about this equilibrium can be shown, for the nonplanar system, to be combinations of seven fundamental frequencies of the system and the mutual orbit rate. The fundamental frequencies arise as the linear periods of center manifolds identified about the equilibrium which are heavily influenced by each body’s mass parameters. We leverage these eight dynamical constraints to investigate the observability of binary asteroid mass parameters via dynamical observations. This is accomplished by proving the nonsingularity of the relationship between the frequencies and mass parameters for doubly synchronous systems. Thus we can invert the relationship to show that given observations of the frequencies, we can solve for the mass parameters of a target system. In so doing we are able to predict the estimation covariance of the mass parameters based on observation quality and define necessary observation accuracies for desired mass parameter certainties. We apply these tools to 617 Patroclus, a doubly synchronous Trojan binary and flyby target of the LUCY mission, as well as the Pluto and Charon system in order to predict mutual behaviors of these doubly synchronous systems and to provide observational requirements for these systems’ mass parameters

Dynamics of embedded curves by doubly-nonlocal reaction-diffusion systems

NASA Astrophysics Data System (ADS)

von Brecht, James H.; Blair, Ryan

2017-11-01

We study a class of nonlocal, energy-driven dynamical models that govern the motion of closed, embedded curves from both an energetic and dynamical perspective. Our energetic results provide a variety of ways to understand physically motivated energetic models in terms of more classical, combinatorial measures of complexity for embedded curves. This line of investigation culminates in a family of complexity bounds that relate a rather broad class of models to a generalized, or weighted, variant of the crossing number. Our dynamic results include global well-posedness of the associated partial differential equations, regularity of equilibria for these flows as well as a more detailed investigation of dynamics near such equilibria. Finally, we explore a few global dynamical properties of these models numerically.

Theory of pure rotational transitions in doubly degenerate torsional states of ethane

NASA Technical Reports Server (NTRS)

Rosenberg, A.; Susskind, J.

1979-01-01

It is shown that pure rotational transitions in doubly degenerate torsional states of C2H6 (with selection rules Delta K = 0, plus or minus 1) are made allowed by Coriolis interaction between torsion and dipole-allowed vibrations. Expressions are presented for integrated intensities from which strengths of lines in the millimeter region can be calculated.

Spectral representation of the three-body Coulomb problem. I. Nonautoionizing doubly excited states of high angular momentum in helium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eiglsperger, Johannes; Piraux, Bernard; Madronero, Javier

2010-04-15

We investigate high-lying doubly excited nonautoionizing states of helium with total angular momentum L=1,2,...,9 with the help of a configuration interaction approach. We provide highly precise nonrelativistic energies of these states and discuss the properties of the wave functions with respect to the particle exchange operator.

Asian/Pacific American Women in Higher Education Administration: Doubly Bound, Doubly Scarce. Issues in Policy, No. 9.

ERIC Educational Resources Information Center

Montez, Joni Mina

This policy brief examines the issue of Asian/Pacific American (APA) women in higher education administration. It reports that APA women face the "double bind" of discrimination because of their minority status and because they are female, and that compared to other minority women fewer APA women enter the education profession. The paper argues…

Theoretical and experimental quantification of doubly and singly differential cross sections for electron-induced ionization of isolated tetrahydrofuran molecules

DOE PAGES

Champion, Christophe; Quinto, Michele A.; Bug, Marion U.; ...

2014-07-29

Electron-induced ionization of the commonly used surrogate of the DNA sugar-phosphate backbone, namely, the tetrahydrofuran molecule, is here theoretically described within the 1 st Born approximation by means of quantum-mechanical approach. Comparisons between theory and recent experiments are reported in terms of doubly and singly differential cross sections.

Search for doubly charged Higgs bosons in like-sign dilepton final states at √s¯= 7 TeV with the ATLAS detector

DOE PAGES

Aad, G.

2012-12-04

A search for doubly-charged Higgs bosons decaying to pairs of electrons and/or muons is presented. The search is performed using a data sample corresponding to an integrated luminosity of 4.7 fb -1 of pp collisions at √s¯ = 7 TeV collected by the ATLAS detector at the LHC. Pairs of prompt, isolated, high-p T leptons with the same electric charge (e ±e ±, e ±μ ±, μ ±μ ±) are selected, and their invariant mass distribution is searched for a narrow resonance. No significant excess over Standard Model background expectations is observed, and limits are placed on the cross sectionmore » times branching ratio for pair production of doubly-charged Higgs bosons. The masses of doubly-charged Higgs bosons are constrained depending on the branching ratio into these leptonic final states. Assuming pair production, coupling to left-handed fermions, and a branching ratio of 100% for each final state, masses below 409 GeV, 375 GeV, and 398 GeV are excluded for e ±e ±, e ±μ ±, and μ ±μ ±, respectively.« less

Application of the Kishimoto-Tamura boson expansion theory to a single-j shell model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, C.T.; Pedrocchi, V.G.; Tamura, T.

1985-11-01

The boson expansion theory of Kishimoto and Tamura is applied to a single-j shell model. It is shown that this theory is quite accurate, giving results that agree very closely with those of the exact fermion calculations. The fast convergence of the boson expansion is also demonstrated. A critical discussion is then made of an earlier paper by Arima, in which he stated that the Kishimoto-Tamura theory gives rise to very poor numerical results. The source of the trouble encountered by Arima is unmasked.

An efficient finite element with layerwise mechanics for smart piezoelectric composite and sandwich shallow shells

NASA Astrophysics Data System (ADS)

Yasin, M. Yaqoob; Kapuria, S.

2014-01-01

In this work, we present a new efficient four-node finite element for shallow multilayered piezoelectric shells, considering layerwise mechanics and electromechanical coupling. The laminate mechanics is based on the zigzag theory that has only seven kinematic degrees of freedom per node. The normal deformation of the piezoelectric layers under the electric field is accounted for without introducing any additional deflection variables. A consistent quadratic variation of the electric potential across the piezoelectric layers with the provision of satisfying the equipotential condition of electroded surfaces is adopted. The performance of the new element is demonstrated for the static response under mechanical and electric potential loads, and for free vibration response of smart shells under different boundary conditions. The predictions are found to be very close to the three dimensional piezoelasticity solutions for hybrid shells made of not only single-material composite substrates, but also sandwich substrates with a soft core for which the equivalent single layer (ESL) theories perform very badly.

Proton - Neutron Interactions and The New Atomic Masses

NASA Astrophysics Data System (ADS)

Cakirli, R. B.; Casten, R. F.; Brenner, D. S.; Millman, E. A.

2005-04-01

Proton - neutron interactions determine structural evolution with N and Z including the onset of collectivity, deformation, and phase transitions. We have extracted the interaction of the last proton and the last neutron, called δVpn, from a specific double difference of binding energies using the new mass tabulation [1]. Striking variations are seen near closed shells. In the Pb region, these are interpreted using overlaps of shell model orbits, which are large when both protons and neutrons are in similar orbits, and small when they are not. Further, we used the idea that shell filling follows a typical systematic pattern to look at the correlation of δVpn values to the fractions of the proton and neutron shells that are filled. These results provide useful signatures of structure in exotic nuclei.This work was supported by US DOE Grant Nos. DE-FG02-91ER40609 and DE-FG02-88ER-40417. [1] G. Audi, A.H. Wapstra and C. Thibault, Nucl. Phys.A729, 337 (2003).

On ballooning instability in current sheets

NASA Astrophysics Data System (ADS)

Leonovich, Anatoliy; Kozlov, Daniil

2015-06-01

The problem of instability of the magnetotail current sheet to azimuthally small-scale Alfvén and slow magnetosonic (SMS) waves is solved. The solutions describe unstable oscillations in the presence of a current sheet and correspond to the region of stretched closed field lines of the magnetotail. The spectra of eigen-frequencies of several basic harmonics of standing Alfvén and SMS waves are found in the local and WKB approximation, which are compared. It is shown that the oscillation properties obtained in these approximations differ radically. In the local approximation, the Alfvén waves are stable in the entire range of magnetic shells. SMS waves go into the aperiodic instability regime (the regime of the "ballooning" instability), on magnetic shells crossing the current sheet. In the WKB approximation, both the Alfvén and SMS oscillations go into an unstable regime with a non-zero real part of their eigen-frequency, on magnetic shells crossing the current sheet. The structure of azimuthally small-scale Alfvén waves across magnetic shells is determined.

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.

Mn@Si14+: a singlet fullerene-like endohedrally doped silicon cluster.

PubMed

Ngan, Vu Thi; Pierloot, Kristine; Nguyen, Minh Tho

2013-04-21

The electronic structure of Mn@Si14(+) is determined using DFT and CASPT2/CASSCF(14,15) computations with large basis sets. The endohedrally Mn-doped Si cationic cluster has a D3h fullerene-like structure featuring a closed-shell singlet ground state with a singlet-triplet gap of ~1 eV. A strong stabilizing interaction occurs between the 3d(Mn) and the 2D-shell(Si14) orbitals, and a large amount of charge is transferred from the Si14 cage to the Mn dopant. The 3d(Mn) orbitals are filled by encapsulation, and the magnetic moment of Mn is completely quenched. Full occupation of [2S, 2P, 2D] shell orbitals by 18 delocalized electrons confers the doped Mn@Si14(+) cluster a spherically aromatic character.

Mg-isotopic fractionation in the manila clam (Ruditapes philippinarum): New insights into Mg incorporation pathway and calcification process of bivalves

NASA Astrophysics Data System (ADS)

Planchon, Frédéric; Poulain, Céline; Langlet, Denis; Paulet, Yves-Marie; André, Luc

2013-11-01

We estimate the magnesium stable isotopic composition (δ26Mg) of the major compartments involved in the biomineralisation process of euryhaline bivalve, the manila clam Ruditapes philippinarum. Our aim is to identify the fractionation processes associated with Mg uptake and its cycling/transport in the bivalve organism, in order to better assess the controlling factors of the Mg isotopic records in bivalve shells. δ26Mg were determined in seawater, in hemolymph, extrapallial fluid (EPF), soft tissues and aragonitic shell of adult clams collected along the Auray River estuary (Gulf of Morbihan, France) at two sites showing contrasted salinity regimes. The large overall δ26Mg variations (4.16‰) demonstrate that significant mass-dependent Mg isotopic fractionations occur during Mg transfer from seawater to the aragonitic shell. Soft tissues span a range of fractionation factors relative to seawater (Δ26Mgsoft tissue-seawater) of 0.42 ± 0.12‰ to 0.76 ± 0.12‰, and show evidence for biological isotopic fractionation of Mg. Hemolymph and EPF are on average isotopically close to seawater (Δ26Mghemolymph-seawater = -0.20 ± 0.27‰; 2 sd; n = 5 and Δ26MgEPF-seawater = -0.23 ± 0.25‰; 2 sd; n = 5) indicating (1) a predominant seawater origin for Mg in the intercellular medium and (2) a relatively passive transfer route through the bivalve organism into the calcifying fluid. The lightest isotopic composition is found in shell, with δ26Mg ranging from -1.89 ± 0.07‰ to -4.22 ± 0.06‰. This range is the largest in the dataset and is proposed to result from a combination of abiotic and biologically-driven fractionation processes. Abiotic control includes fractionation during precipitation of aragonite and accounts for Δ26Mgaragonite-seawater ≈ 1000 ln αaragonite-seawater = -1.13 ± 0.28‰ at 20 °C based on literature data. Deviations from inorganic precipitate (expressed as Δ26MgPhysiol) appear particularly variable in the clam shell, ranging from 0.03‰ to -2.20‰, which indicates that bivalve shell formation can proceed either under fractionation similar to inorganically-precipitated aragonite or under variable physiological influences. These physiological isotopic effects may be consistent with a regulation of dissolved Mg content in hemolymph and/or EPF due to Mg incorporation into soft tissue and/or Mg fixation by organic macromolecules. Using closed- and open-system models we estimate that Δ26MgPhysiol can be satisfactorily resolved with a remaining Mg fraction in hemolymph and/or EPF of 74% down to 2%. However, this feature is not reflected in our hemolymph and EPF data and may indicate that regulation processes and isotopic fractionation may take place in self-contained spaces located close to calcification sites. The potential role of the shell organic matrix, which may host non-lattice-bound Mg in the shell, is also discussed but remains difficult to assess with our data. Regarding the large physiological effects, the δ26Mg record in the Manila clam shell offers limited potential as a proxy of temperature or seawater Mg isotopic composition. In contrast, the sensitivity of its δ26Mg to the salinity regime may offer an interesting tool to track changes in clam biological activity in estuarine environments.

Neutron star merger GW170817 strongly constrains doubly coupled bigravity

NASA Astrophysics Data System (ADS)

Akrami, Yashar; Brax, Philippe; Davis, Anne-Christine; Vardanyan, Valeri

2018-06-01

We study the implications of the recent detection of gravitational waves emitted by a pair of merging neutron stars and their electromagnetic counterpart, events GW170817 and GRB170817A, on the viability of the doubly coupled bimetric models of cosmic evolution, where the two metrics couple directly to matter through a composite, effective metric. We demonstrate that the bounds on the speed of gravitational waves place strong constraints on the doubly coupled models, forcing either the two metrics to be proportional at the background level or the models to become singly coupled. Proportional backgrounds are particularly interesting as they provide stable cosmological solutions with phenomenologies equivalent to that of Λ CDM at the background level as well as for linear perturbations, while nonlinearities are expected to show deviations from the standard model.

Isotope shifts from collinear laser spectroscopy of doubly charged yttrium isotopes

NASA Astrophysics Data System (ADS)

Vormawah, L. J.; Vilén, M.; Beerwerth, R.; Campbell, P.; Cheal, B.; Dicker, A.; Eronen, T.; Fritzsche, S.; Geldhof, S.; Jokinen, A.; Kelly, S.; Moore, I. D.; Reponen, M.; Rinta-Antila, S.; Stock, S. O.; Voss, A.

2018-04-01

Collinear laser spectroscopy has been performed on doubly charged ions of radioactive yttrium in order to study the isotope shifts of the 294.6-nm 5 s 1/2 2S →5 p 1/2 2P line. The potential of such an alkali-metal-like transition to improve the reliability of atomic-field-shift and mass-shift factor calculations, and hence the extraction of nuclear mean-square radii, is discussed. Production of yttrium ion beams for such studies is available at the IGISOL IV Accelerator Laboratory, Jyväskylä, Finland. This newly recommissioned facility is described here in relation to the on-line study of accelerator-produced short-lived isotopes using collinear laser spectroscopy and application of the technique to doubly charged ions.

Doubly Fed Induction Generator Wind Turbines with Fuzzy Controller: A Survey

PubMed Central

Sathiyanarayanan, J. S.; Senthil Kumar, A.

2014-01-01

Wind energy is one of the extraordinary sources of renewable energy due to its clean character and free availability. With the increasing wind power penetration, the wind farms are directly influencing the power systems. The majority of wind farms are using variable speed wind turbines equipped with doubly fed induction generators (DFIG) due to their advantages over other wind turbine generators (WTGs). Therefore, the analysis of wind power dynamics with the DFIG wind turbines has become a very important research issue, especially during transient faults. This paper presents fuzzy logic control of doubly fed induction generator (DFIG) wind turbine in a sample power system. Fuzzy logic controller is applied to rotor side converter for active power control and voltage regulation of wind turbine. PMID:25028677

Sea Hare Aplysia punctata (Mollusca: Gastropoda) Can Maintain Shell Calcification under Extreme Ocean Acidification.

PubMed

Carey, Nicholas; Dupont, Sam; Sigwart, Julia D

2016-10-01

Ocean acidification is expected to cause energetic constraints upon marine calcifying organisms such as molluscs and echinoderms, because of the increased costs of building or maintaining shell material in lower pH. We examined metabolic rate, shell morphometry, and calcification in the sea hare Aplysia punctata under short-term exposure (19 days) to an extreme ocean acidification scenario (pH 7.3, ∼2800 μatm pCO 2 ), along with a group held in control conditions (pH 8.1, ∼344 μatm pCO 2 ). This gastropod and its congeners are broadly distributed and locally abundant grazers, and have an internal shell that protects the internal organs. Specimens were examined for metabolic rate via closed-chamber respirometry, followed by removal and examination of the shell under confocal microscopy. Staining using calcein determined the amount of new calcification that occurred over 6 days at the end of the acclimation period. The width of new, pre-calcified shell on the distal shell margin was also quantified as a proxy for overall shell growth. Aplysia punctata showed a 30% reduction in metabolic rate under low pH, but calcification was not affected. This species is apparently able to maintain calcification rate even under extreme low pH, and even when under the energetic constraints of lower metabolism. This finding adds to the evidence that calcification is a largely autonomous process of crystallization that occurs as long as suitable haeomocoel conditions are preserved. There was, however, evidence that the accretion of new, noncalcified shell material may have been reduced, which would lead to overall reduced shell growth under longer-term exposures to low pH independent of calcification. Our findings highlight that the chief impact of ocean acidification upon the ability of marine invertebrates to maintain their shell under low pH may be energetic constraints that hinder growth of supporting structure, rather than maintenance of calcification.

Electrostatically assisted fabrication of silver-dielectric core/shell nanoparticles thin film capacitor with uniform metal nanoparticle distribution and controlled spacing.

PubMed

Li, Xue; Niitsoo, Olivia; Couzis, Alexander

2016-03-01

An electrostatically-assisted strategy for fabrication of thin film composite capacitors with controllable dielectric constant (k) has been developed. The capacitor is composed of metal-dielectric core/shell nanoparticle (silver/silica, Ag@SiO2) multilayer films, and a backfilling polymer. Compared with the simple metal particle-polymer mixtures where the metal nanoparticles (NP) are randomly dispersed in the polymer matrix, the metal volume fraction in our capacitor was significantly increased, owing to the densely packed NP multilayers formed by the electrostatically assisted assembly process. Moreover, the insulating layer of silica shell provides a potential barrier that reduces the tunneling current between neighboring Ag cores, endowing the core/shell nanocomposites with a stable and relatively high dielectric constant (k) and low dielectric loss (D). Our work also shows that the thickness of the SiO2 shell plays a dominant role in controlling the dielectric properties of the nanocomposites. Control over metal NP separation distance was realized not only by variation the shell thickness of the core/shell NPs but also by introducing a high k nanoparticle, barium strontium titanate (BST) of relatively smaller size (∼8nm) compared to 80-160nm of the core/shell Ag@SiO2 NPs. The BST assemble between the Ag@SiO2 and fill the void space between the closely packed core/shell NPs leading to significant enhancement of the dielectric constant. This electrostatically assisted assembly method is promising for generating multilayer films of a large variety of NPs over large areas at low cost. Copyright © 2015 Elsevier Inc. All rights reserved.

20. Historic American Buildings Survey E. W. Russell, Photographer, May ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

20. Historic American Buildings Survey E. W. Russell, Photographer, May 7, 1936 CLOSE-UP OF STUCCO PORTICO COLUMN (SOUTH) FIRST FLOOR - Spring Hill College, Main Building, Old Shell Road, Spring Hill, Mobile County, AL

Radiocarbon dating late Quaternary loess deposits using small terrestrial gastropod shells

USGS Publications Warehouse

Pigati, Jeff S.; McGeehin, John P.; Muhs, Daniel R.; Bettis, E. Arthur

2013-01-01

Constraining the ages and mass accumulation rates of late Quaternary loess deposits is often difficult because of the paucity of organic material typically available for 14C dating and the inherent limitations of luminescence techniques. Radiocarbon dating of small terrestrial gastropod shells may provide an alternative to these methods as fossil shells are common in loess and contain ∼12% carbon by weight. Terrestrial gastropod assemblages in loess have been used extensively to reconstruct past environmental conditions but have been largely ignored for dating purposes. Here, we present the results of a multi-faceted approach to understanding the potential for using small terrestrial gastropod shells to date loess deposits in North America. First, we compare highly resolved 14C ages of well-preserved wood and gastropod shells (Succineidae) recovered from a Holocene loess section in Alaska. Radiocarbon ages derived from the shells are nearly identical to wood and plant macrofossil ages throughout the section, which suggests that the shells behaved as closed systems with respect to carbon for at least the last 10 ka (thousands of calibrated 14C years before present). Second, we apply 14C dating of gastropod shells to late Pleistocene loess deposits in the Great Plains using stratigraphy and independent chronologies for comparison. The new shell ages require less interpretation than humic acid radiocarbon ages that are commonly used in loess studies, provide additional stratigraphic coverage to previous dating efforts, and are in correct stratigraphic order more often than their luminescence counterparts. Third, we show that Succineidae shells recovered from historic loess in the Matanuska River Valley, Alaska captured the 20th century 14C bomb spike, which suggests that the shells can be used to date late Holocene and historic-aged loess. Finally, results from Nebraska and western Iowa suggest that, similar to other materials, shell ages approaching ∼40 ka should be viewed with caution as they may reflect trace amounts of contamination. In sum, our results show that small terrestrial gastropod shells, especially from the Succineidae family, provide reliable ages for late Quaternary loess deposits in North America.

Spring molybdenum enrichment in scallop shells: a potential tracer of diatom productivity in temperate coastal environments (Brittany, NW France)

NASA Astrophysics Data System (ADS)

Barats, A.; Amouroux, D.; Pécheyran, C.; Chauvaud, L.; Thébault, J.; Donard, O. F. X.

2010-01-01

Skeletal molybdenum/calcium ([Mo]/[Ca])shell ratios were examined in shells of the Great Scallop Pecten maximus collected in temperate coastal environments of Western Europe (42 to 49° N). These ratios were determined by quantitative LA-ICP-MS analyses of daily striae taken every third day (i.e. a temporal resolution of 3 days) in 36 flat valves (2-years old; 3 shells/year). Variations of ([Mo]/[Ca])shell ratios were significant and reproducible for scallops from the same population, from different years (1998-2004) and temperate coastal locations (NW France). The [Mo]/[Ca])shell ratios exhibit typical profiles characterized by a background content, below the detection limit for this method (<0.003 μmol/mol) for most of the shell growth period, which is punctuated by a significant transient enrichment (0.031-2.1 μmol/mol) mainly occurring from May to June. The Bay of Brest (France) was investigated in particular because of its long term observations on scallop communities, environmental variables, and high resolution analyses of dissolved Mo in bottom seawater in 2000. In 2000, dissolved Mo exhibited a significant increase in concentration just preceding the maximum ([Mo]/[Ca])shell ratio. Both the intense monitoring survey in 2000 and over the 7-year period indicates that the ([Mo]/[Ca])shell maximum is directly influenced by spring changes of environmental conditions at the sediment water interface (SWI), occurring subsequent to the intense and periodic spring bloom. Spring maxima of ([Mo]/[Ca])shell ratios are closely correlated to the extent of silicic acid and nitrate depletion in seawater between winter and late spring (r2=0.878 and 0.780, p<0.05, n=6) that reflects diatom uptake and productivity in the Bay of Brest. The Mo inputs in bottom waters and subsequent shell enrichment are thus suggested to be directly or indirectly influenced by such biogenic material input at the SWI. The [Mo]/[Ca])shell records thus reveal unexpected biogeochemical cycles of Mo influenced by coastal spring productivity, faithfully recorded in scallop shells.

Stereodivergent catalytic doubly diastereoselective nitroaldol reactions using heterobimetallic complexes.

PubMed

Sohtome, Yoshihiro; Kato, Yuko; Handa, Shinya; Aoyama, Naohiro; Nagawa, Keita; Matsunaga, Shigeki; Shibasaki, Masakatsu

2008-06-05

Stereodivergent construction of three contiguous stereocenters in catalytic doubly diastereoselective nitroaldol reactions of alpha-chiral aldehydes with nitroacetaldehyde dimethyl acetal using two types of heterobimetallic catalysts is described. A La-Li-BINOL (LLB) catalyst afforded anti,syn-nitroaldol products in >20:1-14:1 selectivity, and a Pd/La/Schiff base catalyst afforded complimentary syn,syn-nitroaldol products in 10:1-5:1 selectivity.

Petrology and geochemistry of the orbicular granitoid of Caldera, northern Chile. Models and hypotheses on the formation of radial orbicular textures

NASA Astrophysics Data System (ADS)

Díaz-Alvarado, Juan; Rodríguez, Natalia; Rodríguez, Carmen; Fernández, Carlos; Constanzo, Ítalo

2017-07-01

The orbicular granitoid of Caldera, located at the northern part of the Chilean Coastal Range, is a spectacular example of radial textures in orbicular structures. The orbicular body crops out as a 375 m2 tabular to lensoidal intrusive sheet emplaced in the Lower Jurassic Relincho pluton. The orbicular structures are 3-7 cm in diameter ellipsoids hosted in a porphyritic matrix. The orbicules are comprised by a Qtz-dioritic core (3-5 cm in diameter) composed by Pl + Hbl + Qtz + Bt ± Kfs with equiaxial textures and a gabbroic shell (2-3 cm in diameter) characterized by feathery and radiate textures with a plagioclase + hornblende paragenesis. The radial shell crystals are rooted and orthogonally disposed in the irregular contact with the core. The radial shell, called here inner shell, is in contact with the granodioritic equiaxial interorbicular matrix through a 2-3 mm wide poikilitic band around the orbicule (outer shell). The outer shell and the matrix surrounding the orbicules are characterized by the presence of large hornblende and biotite oikocrystals that include fine-grained rounded plagioclase and magnetite. The oikocrystals of both the outer shell and the matrix have a circumferential arrangement around the orbicule, i.e. orthogonal to the radial inner shell. The coarse-grained granodioritic interorbicular matrix present pegmatitic domains with large acicular hornblende and K-feldspar megacrysts. This work presents a review of the textural characteristics of the orbicules and a complete new mineral and whole-rock geochemical study of the different parts of the orbicular granitoid, together with thermobarometric and crystallographic data, and theoretical modeling of the crystallization and element partitioning processes. We propose a model for the formation of the orbicular radial textures consisting of several processes that are suggested to occur fast and consecutively: superheating, volatile exsolution, undercooling, geochemical fractionation and columnar and equiaxial crystallization. According to the obtained results, the formation of the orbicular granitoid of Caldera may have initiated 1) during the generation of a magmatic fracture in the crystallization front of the Relincho pluton, where the water released by the host crystal mush was dissolved in the new batch of dioritic magma. 2) The high influx of water-rich liquids induced superheating conditions in the newly intruding magma that became a depolymerized liquid, where the only solid particules were the small irregular fragments of the host mush dragged from the fracture walls. 3) Volatile exsolution promoted crystallization under undercooling conditions. 4) Undercooling and nucleation around the core (cold germs) involved the physical and geochemical fractionation between two sub-systems: a gabbroic sub-system that comprises the solid paragénesis with a residual water-rich liquid and a granodioritic sub-system. 5) The orbicules, including core and inner shell, behaved as viscous bodies (crystals + residual liquid) floating in the granodioritic magma. 6) Higher undercooling rates occurred at the starting stage, close to the liquidus, promoting columnar crystallization around the cores and formation of the shells. Conversely, in the granodioritic matrix sub-system, equiaxial crystallization was promoted by low relative crystallization rates. 7) The rest of the crystallization process evolved later in the outer shell and the matrix, as suggested by the poikilitic textures observed in both sides of the orbicule contact, and under conditions close to the solidus of both sub-systems (shell and matrix). The water-rich residual liquid expelled during the orbicular shell crystallization was mingled with the partially crystallized matrix magma, generating the pegmatitic domains with large Kfs megacrysts.

Change in Stripes for Cholesteric Shells via Anchoring in Moderation

NASA Astrophysics Data System (ADS)

Tran, Lisa; Lavrentovich, Maxim O.; Durey, Guillaume; Darmon, Alexandre; Haase, Martin F.; Li, Ningwei; Lee, Daeyeon; Stebe, Kathleen J.; Kamien, Randall D.; Lopez-Leon, Teresa

2017-10-01

Chirality, ubiquitous in complex biological systems, can be controlled and quantified in synthetic materials such as cholesteric liquid crystal (CLC) systems. In this work, we study spherical shells of CLC under weak anchoring conditions. We induce anchoring transitions at the inner and outer boundaries using two independent methods: by changing the surfactant concentration or by raising the temperature close to the clearing point. The shell confinement leads to new states and associated surface structures: a state where large stripes on the shell can be filled with smaller, perpendicular substripes, and a focal conic domain (FCD) state, where thin stripes wrap into at least two, topologically required, double spirals. Focusing on the latter state, we use a Landau-de Gennes model of the CLC to simulate its detailed configurations as a function of anchoring strength. By abruptly changing the topological constraints on the shell, we are able to study the interconversion between director defects and pitch defects, a phenomenon usually restricted by the complexity of the cholesteric phase. This work extends the knowledge of cholesteric patterns, structures that not only have potential for use as intricate, self-assembly blueprints but are also pervasive in biological systems.

A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity.

PubMed

Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

2015-10-14

While diabatic approaches are ubiquitous for the understanding of electron-transfer reactions and have been mooted as being of general relevance, alternate applications have not been able to unify the same wide range of observed spectroscopic and kinetic properties. The cause of this is identified as the fundamentally different orbital configurations involved: charge-transfer phenomena involve typically either 1 or 3 electrons in two orbitals whereas most reactions are typically closed shell. As a result, two vibrationally coupled electronic states depict charge-transfer scenarios whereas three coupled states arise for closed-shell reactions of non-degenerate molecules and seven states for the reactions implicated in the aromaticity of benzene. Previous diabatic treatments of closed-shell processes have considered only two arbitrarily chosen states as being critical, mapping these states to those for electron transfer. We show that such effective two-state diabatic models are feasible but involve renormalized electronic coupling and vibrational coupling parameters, with this renormalization being property dependent. With this caveat, diabatic models are shown to provide excellent descriptions of the spectroscopy and kinetics of the ammonia inversion reaction, proton transfer in N2H7(+), and aromaticity in benzene. This allows for the development of a single simple theory that can semi-quantitatively describe all of these chemical phenomena, as well as of course electron-transfer reactions. It forms a basis for understanding many technologically relevant aspects of chemical reactions, condensed-matter physics, chemical quantum entanglement, nanotechnology, and natural or artificial solar energy capture and conversion.

Closed-Shell Polycyclic Aromatic Hydrocarbon Cations: A New Category of Interstellar Polycyclic Aromatic Hydrocarbons

NASA Technical Reports Server (NTRS)

Hudgins, Douglas M.; Bauschlicher, Charles W., Jr.; Allamandola, Louis J.; DeVincenzi, Donald (Technical Monitor)

2001-01-01

Density functional theory has been employed to calculate the harmonic frequencies and intensities of a range of polycyclic aromatic hydrocarbon (PAH) cations that explore both size and electronic structure effects of the infrared spectroscopic properties of these species. The sample extends the size range of PAH species considered to more than 50 carbon atoms and includes several representatives from each of two heretofore unexplored categories of PAH cations: (1) fully benzenoid PAH cations whose carbon skeleton is composed of an odd number of carbon atoms (C(sub odd) PAHs); and (2) protonated PAH cations (HPAH+). Unlike the radical electronic structures of the PAH cations that have been the subject of previous theoretical and experimental work, the species in these two classes have a closed-shell electronic configuration. The calculated spectra of circumcoronene, C54H18 in both neutral and (radical) cationic form are also reported and compared with those of the other species. Overall, the C(sub odd) PAHs spectra are dominated by strong CC stretching modes near 1600 cm(exp -1) and display spectra that are remarkably insensitive to molecular size. The HPAH+ species evince a more complex spectrum consistent with the added contributions of aliphatic modes and their generally lower symmetry. Finally, for both classes of closed-shell cations, the intensity of the aromatic CH stretching modes is found to increase with molecular size far out of proportion with the number of CH groups, approaching a value more typical of neutral PAHs for the largest species studied.

Functional buckling behavior of silicone rubber shells for biomedical use.

PubMed

van der Houwen, E B; Kuiper, L H; Burgerhof, J G M; van der Laan, B F A M; Verkerke, G J

2013-12-01

The use of soft elastic biomaterials in medical devices enables substantial function integration. The consequent increased simplification in design can improve reliability at a lower cost in comparison to traditional (hard) biomaterials. Functional bi-stable buckling is one of the many new mechanisms made possible by soft materials. The buckling behavior of shells, however, is typically described from a structural failure point of view: the collapse of arches or rupture of steam vessels, for example. There is little or no literature about the functional elastic buckling of small-sized silicone rubber shells, and it is unknown whether or not theory can predict their behavior. Is functional buckling possible within the scale, material and pressure normally associated with physiological applications? An automatic speech valve is used as an example application. Silicone rubber spherical shells (diameter 30mm) with hinged and double-hinged boundaries were subjected to air pressure loading. Twelve different geometrical configurations were tested for buckling and reverse buckling pressures. Data were compared with the theory. Buckling pressure increases linearly with shell thickness and shell height. Reverse buckling shows these same relations, with pressures always below normal buckling pressure. Secondary hinges change normal/reverse buckling pressure ratios and promote symmetrical buckling. All tested configurations buckled within or closely around physiological pressures. Functional bi-stable buckling of silicone rubber shells is possible with adjustable properties in the physiological pressure range. Results can be predicted using the proposed relations and equations. Copyright © 2013 Elsevier Ltd. All rights reserved.

Defense Responses to Short-term Hypoxia and Seawater Acidification in the Thick Shell Mussel Mytilus coruscus

PubMed Central

Sui, Yanming; Liu, Yimeng; Zhao, Xin; Dupont, Sam; Hu, Menghong; Wu, Fangli; Huang, Xizhi; Li, Jiale; Lu, Weiqun; Wang, Youji

2017-01-01

The rising anthropogenic atmospheric CO2 results in the reduction of seawater pH, namely ocean acidification (OA). In East China Sea, the largest coastal hypoxic zone was observed in the world. This region is also strongly impacted by ocean acidification as receiving much nutrient from Changjiang and Qiantangjiang, and organisms can experience great short-term natural variability of DO and pH in this area. In order to evaluate the defense responses of marine mussels under this scenario, the thick shell mussel Mytilus coruscus were exposed to three pH/pCO2 levels (7.3/2800 μatm, 7.7/1020 μatm, 8.1/376 μatm) at two dissolved oxygen concentrations (DO, 2.0, 6.0 mg L−1) for 72 h. Results showed that byssus thread parameters, such as the number, diameter, attachment strength and plaque area were reduced by low DO, and shell-closing strength was significantly weaker under both hypoxia and low pH conditions. Expression patterns of genes related to mussel byssus protein (MBP) were affected by hypoxia. Generally, hypoxia reduced MBP1 and MBP7 expressions, but increased MBP13 expression. In conclusion, both hypoxia and low pH induced negative effects on mussel defense responses, with hypoxia being the main driver of change. In addition, significant interactive effects between pH and DO were observed on shell-closing strength. Therefore, the adverse effects induced by hypoxia on the defense of mussels may be aggravated by low pH in the natural environments. PMID:28337153

Determinants and taxonomic consequences of extreme egg shell variability in Ramazzottius subanomalus (Biserov, 1985) (Tardigrada).

PubMed

Stec, Daniel; Morek, Witold; Gąsiorek, Piotr; Kaczmarek, Łukasz; Michalczyk, Łukasz

2016-12-15

Nearly a half of known eutardigrade species lay ornamented eggs. The ornamentation is thought to provide attachment of the egg to the substrate and protection for the developing embryo, but from the taxonomic point of view chorion morphology may also provide key characters for species differentiation and identification, especially between closely related taxa. Nonetheless, despite the evolutionary and taxonomic importance of the egg shell, the determinants of its morphology are very poorly, if at all, understood. Here, we combine morphological, molecular and experimental approaches in an attempt to separate the genetic and environmental factors that shape egg chorion morphology in Ramazzottius subanomalus (Biserov, 1985). Our integrative study, based on a population of R. subanomalus isolated from a single moss sample, revealed (1) remarkable variation in egg shell morphology, but (2) relatively little variation in animal morphometric traits, and (3) genetic differentiation, expressed as two ITS-2 haplotypes, but no parallel polymorphism in COI. Although animals did not differ morphometrically between the haplotypes, eggs laid by haplotype 1 and 2 females exhibited highly statistically significant differences in all measured traits. The study demonstrates, for the first time, a correlation between phenotypic and genetic variability within a tardigrade species. The revealed congruence between genetic and morphological traits might be viewed as an example of incipient speciation that illustrates early evolutionary steps leading to species complexes that differ primarily in terms of egg shell morphology. Moreover, our data confirm the value of the ITS-2 fragment in distinguishing very closely related tardigrade lineages.

Investigation on the cavitation effect of underwater shock near different boundaries

NASA Astrophysics Data System (ADS)

Xiao, Wei; Wei, Hai-peng; Feng, Liang

2017-08-01

When the shock wave of underwater explosion propagates to the surfaces of different boundaries, it gets reflected. Then, a negative pressure area is formed by the superposition of the incident wave and reflected wave. Cavitation occurs when the value of the negative pressure falls below the vapor pressure of water. An improved numerical model based on the spectral element method is applied to investigate the cavitation effect of underwater shock near different boundaries, mainly including the feature of cavitation effect near different boundaries and the influence of different parameters on cavitation effect. In the implementation of the improved numerical model, the bilinear equation of state is used to deal with the fluid field subjected to cavitation, and the field separation technique is employed to avoid the distortion of incident wave propagating through the mesh and the second-order doubly asymptotic approximation is applied to simulate the non-reflecting boundary. The main results are as follows. As the peak pressure and decay constant of shock wave increases, the range of cavitation domain increases, and the duration of cavitation increases. As the depth of water increases, the influence of cavitation on the dynamic response of spherical shell decreases.

Nucleation of Hydrogen Deficient Carbon Clusters in Circumstellar Envelopes of Carbon Stars

NASA Astrophysics Data System (ADS)

Chiong, C. C.; Asvany, O.; Balucani, N.; Lee, Y. T.; Kaiser, R. I.

2001-04-01

Hydrogen deficient carbon clusters HCn and H2Cn are thought to resemble the crucial link between naked carbon clusters such as C2/C3, polycyclic aromatic hydrocarbons, and carbon rich interstellar/circumstellar grains. To fully understand the astrophysical significance of these grain nuclei condensation processes, it is of paramount significance to elucidate first detailed mechanism how these simple precursors are formed in outflow of carbon rich stars. Due to this importance, we initiated in our laboratory a systematic research program to investigate reactions of C2 and C3 clusters in their singlet X1Σg+ ground state with unsaturated hydrocarbons C2H2 and C2H4 employing the crossed molecular beam technique. These experiments yield the first doubly differential reactive cross section on the cluster versus H/H2 exchange and supply valuable information on the stepwise growth of carbon rich structures in extraterrestrial environments. Preliminary data analyses identify the CCCCH, CCCCH, and CCCCH2 isomers which were identified in the circumstellar shell of IRC+10216 together with hitherto unobserved interstellar n-C4H3, n-C5H3, and CCCCCH2 radicals.

New separators at the ATLAS facility

NASA Astrophysics Data System (ADS)

Back, Birger; Agfa Collaboration; Airis Team

2015-10-01

Two new separators are being built for the ATLAS facility. The Argonne Gas-Filled Analyzer (AGFA) is a novel design consisting of a single quadrupole and a multipole magnet that has both dipole and quadrupole field components. The design allows for placing Gammasphere at the target position while providing a solid angle of ~ 22 msr for capturing recoil products emitted at zero degrees. This arrangement enables studies of prompt gamma ray emission from weakly populated trans-fermium nuclei and those near the doubly-magic N = Z = 50 shell closure measured in coincidence with the recoils registered by AGFA. The Argonne In-flight Radioactive Ion Separator (AIRIS) is a magnetic chicane that will be installed immediately downstream of the last ATLAS cryostat and serve to separate radioactive ion beams generated in flight at an upstream high intensity production target. These beams will be further purified by a downstream RF sweeper and transported into a number of target stations including HELIOS, the Enge spectrograph, the FMA and Gammasphere. This talk will present the status of these two projects. This work was supported by the U.S. Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357.

Could quantum gravity phenomenology be tested with high intensity lasers?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magueijo, Joao; Canadian Institute for Theoretical Astrophysics, 60 St. George Street, Toronto M5S 3H8; Theoretical Physics Group, Imperial College, Prince Consort Road, London SW7 2BZ

2006-06-15

In phenomenological quantum gravity theories, Planckian behavior is triggered by the energy of elementary particles approaching the Planck energy, E{sub P}, but it is also possible that anomalous behavior strikes systems of particles with total energy near E{sub P}. This is usually perceived to be pathological and has been labeled 'the soccer ball problem'. We point out that there is no obvious contradiction with experiment if coherent collections of particles with bulk energy of order E{sub P} do indeed display Planckian behavior, a possibility that would open a new experimental window. Unfortunately, field theory realizations of 'doubly' (or deformed) specialmore » relativity never exhibit a soccer ball problem; we present several formulations where this is undeniably true. Upon closer scrutiny we discover that the only chance for Planckian behavior to be triggered by large coherent energies involves the details of second quantization. We find a formulation where the quanta have their energy-momentum (mass-shell) relations deformed as a function of the bulk energy of the coherent packet to which they belong, rather than the frequency. Given ongoing developments in laser technology, such a possibility would be of great experimental interest.« less

Evidence of a Job Well Done

NASA Image and Video Library

2012-08-07

This close-up view shows the rover Curiosity parachute and back shell strewn across the surface of Mars. The image was captured by NASA Mars Reconnaissance Orbiter about 24 hours after the parachute helped guide the rover to the surface.

Fluorescence correlation spectroscopy analysis for accurate determination of proportion of doubly labeled DNA in fluorescent DNA pool for quantitative biochemical assays.

PubMed

Hou, Sen; Sun, Lili; Wieczorek, Stefan A; Kalwarczyk, Tomasz; Kaminski, Tomasz S; Holyst, Robert

2014-01-15

Fluorescent double-stranded DNA (dsDNA) molecules labeled at both ends are commonly produced by annealing of complementary single-stranded DNA (ssDNA) molecules, labeled with fluorescent dyes at the same (3' or 5') end. Because the labeling efficiency of ssDNA is smaller than 100%, the resulting dsDNA have two, one or are without a dye. Existing methods are insufficient to measure the percentage of the doubly-labeled dsDNA component in the fluorescent DNA sample and it is even difficult to distinguish the doubly-labeled DNA component from the singly-labeled component. Accurate measurement of the percentage of such doubly labeled dsDNA component is a critical prerequisite for quantitative biochemical measurements, which has puzzled scientists for decades. We established a fluorescence correlation spectroscopy (FCS) system to measure the percentage of doubly labeled dsDNA (PDL) in the total fluorescent dsDNA pool. The method is based on comparative analysis of the given sample and a reference dsDNA sample prepared by adding certain amount of unlabeled ssDNA into the original ssDNA solution. From FCS autocorrelation functions, we obtain the number of fluorescent dsDNA molecules in the focal volume of the confocal microscope and PDL. We also calculate the labeling efficiency of ssDNA. The method requires minimal amount of material. The samples have the concentration of DNA in the nano-molar/L range and the volume of tens of microliters. We verify our method by using restriction enzyme Hind III to cleave the fluorescent dsDNA. The kinetics of the reaction depends strongly on PDL, a critical parameter for quantitative biochemical measurements. Copyright © 2013 Elsevier B.V. All rights reserved.

Doubly Robust Additive Hazards Models to Estimate Effects of a Continuous Exposure on Survival.

PubMed

Wang, Yan; Lee, Mihye; Liu, Pengfei; Shi, Liuhua; Yu, Zhi; Abu Awad, Yara; Zanobetti, Antonella; Schwartz, Joel D

2017-11-01

The effect of an exposure on survival can be biased when the regression model is misspecified. Hazard difference is easier to use in risk assessment than hazard ratio and has a clearer interpretation in the assessment of effect modifications. We proposed two doubly robust additive hazards models to estimate the causal hazard difference of a continuous exposure on survival. The first model is an inverse probability-weighted additive hazards regression. The second model is an extension of the doubly robust estimator for binary exposures by categorizing the continuous exposure. We compared these with the marginal structural model and outcome regression with correct and incorrect model specifications using simulations. We applied doubly robust additive hazard models to the estimation of hazard difference of long-term exposure to PM2.5 (particulate matter with an aerodynamic diameter less than or equal to 2.5 microns) on survival using a large cohort of 13 million older adults residing in seven states of the Southeastern United States. We showed that the proposed approaches are doubly robust. We found that each 1 μg m increase in annual PM2.5 exposure was associated with a causal hazard difference in mortality of 8.0 × 10 (95% confidence interval 7.4 × 10, 8.7 × 10), which was modified by age, medical history, socioeconomic status, and urbanicity. The overall hazard difference translates to approximately 5.5 (5.1, 6.0) thousand deaths per year in the study population. The proposed approaches improve the robustness of the additive hazards model and produce a novel additive causal estimate of PM2.5 on survival and several additive effect modifications, including social inequality.

Advantages of reaction cell ICP-MS on doubly charged interferences for arsenic and selenium analysis in foods

PubMed Central

Jackson, Brian; Liba, Amir; Nelson, Jenny

2014-01-01

Recent reports of As concentrations in certain food and drinks have garnered public concern and led to a lowering of the US guideline maximum concentration for inorganic As in apple juice and proposed limits for As in rice products. In contrast Se is an essential micro-nutrient that can be limiting when Se-poor soils yield Se-poor food crops. Rare earth element (REE) doubly charged interferences on As and Se can be significant even when initial ICP-MS tuning minimizes doubly charged formation. We analyzed NIST 1547 (peach leaves) and 1515 (apple leaves), which contain high levels of REEs, by quadrupole ICP-MS with (He) collision mode, H2 reaction mode or triple quadrupole ICP-MS (ICP-QQQ) in mass-shift mode (O2 and O2/H2). Analysis by collision cell ICP-MS significantly over-estimated As and Se concentration due to REE doubly charged formation; mathematical correction increased the accuracy of analysis but is prone to error when analyte concentration and sensitivity is low and interferent is high. For Se, H2 reaction mode was effective in suppressing Gd2+ leading to accurate determination of Se in both SRMs without the need for mathematical correction. ICP-QQQ using mass-shift mode for As+ from m/z 75 to AsO+ at m/z 91 and Se+ from m/z 78 to SeO+ at m/z 94 alleviated doubly charged effects and resulted in accurate determination of As and Se in both SRMs without the need for correction equations. Zr and Mo isobars at 91 and 94 were shown to be effectively rejected by the MS/MS capability of the ICP-QQQ. PMID:25609851

Quantifying the causal effects of 20mph zones on road casualties in London via doubly robust estimation.

PubMed

Li, Haojie; Graham, Daniel J

2016-08-01

This paper estimates the causal effect of 20mph zones on road casualties in London. Potential confounders in the key relationship of interest are included within outcome regression and propensity score models, and the models are then combined to form a doubly robust estimator. A total of 234 treated zones and 2844 potential control zones are included in the data sample. The propensity score model is used to select a viable control group which has common support in the covariate distributions. We compare the doubly robust estimates with those obtained using three other methods: inverse probability weighting, regression adjustment, and propensity score matching. The results indicate that 20mph zones have had a significant causal impact on road casualty reduction in both absolute and proportional terms. Copyright © 2016 Elsevier Ltd. All rights reserved.

Synthesis of γ-Phosphate-Labeled and Doubly Labeled Adenosine Triphosphate Analogs.

PubMed

Hacker, Stephan M; Welter, Moritz; Marx, Andreas

2015-03-09

This unit describes the synthesis of γ-phosphate-labeled and doubly labeled adenosine triphosphate (ATP) analogs and their characterization using the phosphodiesterase I from Crotalus adamanteus (snake venom phosphodiesterase; SVPD). In the key step of the synthesis, ATP or an ATP analog, bearing a linker containing a trifluoroacetamide group attached to the nucleoside, are modified with an azide-containing linker at the terminal phosphate using an alkylation reaction. Subsequently, different labels are introduced to the linkers by transformation of one functional group to an amine and coupling to an N-hydroxysuccinimide ester. Specifically, the Staudinger reaction of the azide is employed as a straightforward means to obtain an amine in the presence of various labels. Furthermore, the fluorescence characteristics of a fluorogenic, doubly labeled ATP analog are investigated following enzymatic cleavage by SVPD. Copyright © 2015 John Wiley & Sons, Inc.

An EAV-HP Insertion in 5′ Flanking Region of SLCO1B3 Causes Blue Eggshell in the Chicken

PubMed Central

Yang, Xiaolin; Li, Guangqi; Zhang, Yuanyuan; Li, Junying; Wang, Xiaotong; Bai, Jirong; Xu, Guiyun; Deng, Xuemei; Yang, Ning; Wu, Changxin

2013-01-01

The genetic determination of eggshell coloration has not been determined in birds. Here we report that the blue eggshell is caused by an EAV-HP insertion that promotes the expression of SLCO1B3 gene in the uterus (shell gland) of the oviduct in chicken. In this study, the genetic map location of the blue eggshell gene was refined by linkage analysis in an F2 chicken population, and four candidate genes within the refined interval were subsequently tested for their expression levels in the shell gland of the uterus from blue-shelled and non-blue-shelled hens. SLCO1B3 gene was found to be the only one expressed in the uterus of blue-shelled hens but not in that of non-blue-shelled hens. Results from a pyrosequencing analysis showed that only the allele of SLCO1B3 from blue-shelled chickens was expressed in the uterus of heterozygous hens (O*LC/O*N). SLCO1B3 gene belongs to the organic anion transporting polypeptide (OATP) family; and the OATPs, functioning as membrane transporters, have been reported for the transportation of amphipathic organic compounds, including bile salt in mammals. We subsequently resequenced the whole genomic region of SLCO1B3 and discovered an EAV-HP insertion in the 5′ flanking region of SLCO1B3. The EAV-HP insertion was found closely associated with blue eggshell phenotype following complete Mendelian segregation. In situ hybridization also demonstrated that the blue eggshell is associated with ectopic expression of SLCO1B3 in shell glands of uterus. Our finding strongly suggests that the EAV-HP insertion is the causative mutation for the blue eggshell phenotype. The insertion was also found in another Chinese blue-shelled breed and an American blue-shelled breed. In addition, we found that the insertion site in the blue-shelled chickens from Araucana is different from that in Chinese breeds, which implied independent integration events in the blue-shelled chickens from the two continents, providing a parallel evolutionary example at the molecular level. PMID:23359636

Modeling of thin-walled structures interacting with acoustic media as constrained two-dimensional continua

NASA Astrophysics Data System (ADS)

Rabinskiy, L. N.; Zhavoronok, S. I.

2018-04-01

The transient interaction of acoustic media and elastic shells is considered on the basis of the transition function approach. The three-dimensional hyperbolic initial boundary-value problem is reduced to a two-dimensional problem of shell theory with integral operators approximating the acoustic medium effect on the shell dynamics. The kernels of these integral operators are determined by the elementary solution of the problem of acoustic waves diffraction at a rigid obstacle with the same boundary shape as the wetted shell surface. The closed-form elementary solution for arbitrary convex obstacles can be obtained at the initial interaction stages on the background of the so-called “thin layer hypothesis”. Thus, the shell–wave interaction model defined by integro-differential dynamic equations with analytically determined kernels of integral operators becomes hence two-dimensional but nonlocal in time. On the other hand, the initial interaction stage results in localized dynamic loadings and consequently in complex strain and stress states that require higher-order shell theories. Here the modified theory of I.N.Vekua–A.A.Amosov-type is formulated in terms of analytical continuum dynamics. The shell model is constructed on a two-dimensional manifold within a set of field variables, Lagrangian density, and constraint equations following from the boundary conditions “shifted” from the shell faces to its base surface. Such an approach allows one to construct consistent low-order shell models within a unified formal hierarchy. The equations of the N th-order shell theory are singularly perturbed and contain second-order partial derivatives with respect to time and surface coordinates whereas the numerical integration of systems of first-order equations is more efficient. Such systems can be obtained as Hamilton–de Donder–Weyl-type equations for the Lagrangian dynamical system. The Hamiltonian formulation of the elementary N th-order shell theory is here briefly described.

Direct Observation of the Growth of Au-Pd Core-Shell Nanoparticles Using in situ Low-Dose Liquid Cell STEM imaging

DOE PAGES

Bhattarai, Nabraj; Prozorov, Tanya

2016-07-25

Bimetallic core-shell nanoparticles are widely used as catalysts in several industrial reactions, with core-shell structures permitting facile surface modification and allowing increased stability and durability, and cost-effectiveness of the catalysts. We report, for the first time, on observing the early stages of the formation of Au-Pd core-shell bimetallic nanoparticles via the seed-mediated growth in the presence of reducing agent, while employing the low-dose scanning transmission electron microscopy imaging with the fluid cell in situ. Use of the continuous flow in situ fluid cell platform allows for delivery of reagent solutions and generation of near-native reaction environment in the reaction chamber,more » and permits direct visualization of the early stages of formation of Au-Pd core-shell structures at low dose rate (0.1 e -/(Å 2s)) in the presence of ascorbic acid. No core-shell structures were detected in the absence of reducing agent at the electron dose of 32.6 e -/Å 2. While the core-shell structures formed in situ under the low-dose imaging closely resemble those obtained in solution synthesis, the reaction kinetics in the fluid cell is affected by the radiolysis of liquid reagents induced by electron beam, altering the rate-determining reaction steps. The enhanced reduction of Pd ions leads to initial rapid growth of the nascent Pd shell along the <111> direction at the Au interface, followed by a slower rearrangement of the outer Pd layer. The latter becomes the rate-determining step in the in situ reaction and appears to follow the oriented attachment-like movement to yield a remodeled, compact and stable Au-Pd core-shell nanostructure. Our findings highlight the differences between the two reaction pathways and aid in understanding the mechanism of formation of the core-shell nanostructure in situ.« less

Theoretical investigation of gas-surface interactions

NASA Technical Reports Server (NTRS)

Dyall, Kenneth G.

1992-01-01

The investigation into the appearance of intruder states from the negative continuum when some of the two-electron integrals were omitted was completed. The work shows that, provided all integrals involving core contracted functions in an atomic general contraction are included, or that the core functions are radially localized, meaningful results are obtained and intruder states do not appear. In the area of program development, the Dirac-Hartree-Fock (DHF) program for closed-shell polyatomic molecules was extended to permit Kramers-restricted open-shell DHF calculations with one electron in an open shell or one hole in a closed shell, or state-averaged DHF calculations over several particle or hole doublet states. One application of the open-shell code was to the KO molecule. Another major area of program development is the transformation of integrals from the scalar basis in which they are generated to the 2-spinor basis employed in parts of the DHF program, and hence to supermatrix form. Particularly concerning the omission of small component integrals, and with increase in availability of disk space, it is now possible to consider transforming the integrals. The use of ordered integrals, either in the scalar basis or in the 2-spinor basis, would considerably speed up the construction of the Fock matrix, and even more so if supermatrices were constructed. A considerable amount of effort was spent on analyzing the integral ordering and tranformation for the DHF program. The work of assessing the reliability of the relativistic effective core potentials (RECPs) was continued with calculation of the group IV monoxides. The perturbation of the metal atom provided by oxygen is expected to be larger than that provided by hydrogen and thus provide a better test of the qualification of the RECPs. Calculations on some platinum hydrides were carried out at nonrelativistic (NR), perturbation theory (PT) and DHF levels. Reprints of four papers describing this work are included.

Enhanced oxidation stability of quasi core-shell alloyed CdSeS quantum dots prepared through aqueous microwave synthesis technique.

PubMed

Zhan, Hong-Ju; Zhou, Pei-Jiang; Ma, Rong; Liu, Xi-Jing; He, Yu-Ning; Zhou, Chuan-Yun

2014-01-01

Quasi core shell alloyed CdSeS quantum dots (QDs) have been prepared through a facile aqueous-phase route employing microwave irradiation technique. The optical spectroscopy and structure characterization evidenced the quasi core shell alloyed structures of CdSeS QDs. The X-ray diffraction patterns of the obtained CdSeS QDs displayed peak positions very close to those of bulk cubic CdS crystal structures and the result of X-ray photoelectron spectroscopy data re-confirmed the thick CdS shell on the CdSe core. The TEM images and HRTEM images of the CdSeS QDs ascertained the well-defined spherical particles and a relatively narrow size distribution. On the basis, the stability of the obtained QDs in an oxidative environment was also discussed using etching reaction by H2O2. The experiments result showed the as-prepared QDs present high tolerance towards H2O2, obviously superior to the commonly used CdTe QDs and core-shell CdTe/CdS QDs, which was attributed to the unique quasi core-shell CdSeS crystal structure and the small lattice mismatch between CdSe and CdS semiconductor materials. This assay provided insight to obtain high stable crystal structured semiconductor nanocrystals in the design and synthesis process.

Zirconium(IV) oxide: New coating material for nanoresonators for shell-isolated nanoparticle-enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Krajczewski, Jan; Abdulrahman, Heman Burhanalden; Kołątaj, Karol; Kudelski, Andrzej

2018-03-01

One tool that can be used for determining the structure and composition of surfaces of various materials (even in in situ conditions) is shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS). In SHINERS measurements, the surface under investigation is covered with a layer of surface-protected plasmonic nanoparticles, and then the Raman spectrum of the surface analysed is recorded. The plasmonic cores of the used core-shell structures act as electromagnetic nanoresonators, significantly locally enhancing the intensity of the electric field of the incident radiation, leading to a large increase in the efficiency of the generation of the Raman signal from molecules in the close proximity to the deposited SHINERS nanoresonators. A protective layer (from transparent dielectrics such as SiO2, Al2O3 or TiO2) prevents direct interaction between the plasmonic metal and the analysed surface (such interactions may lead to changes in the structure of the surface) and, in the case of plasmonic cores other than gold cores, the dielectric layer increases the chemical stability of the metal core. In this contribution, we show for the first time that core-shell nanoparticles having a silver core (both a solid and hollow one) and a shell of zirconium(IV) oxide are very efficient SHINERS nanoresonators that are significantly more stable in acidic and alkaline media than the silver-silica core-shell structures typically used for SHINERS experiments.

Dependence of weak interaction rates on the nuclear composition during stellar core collapse

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Kato, Chinami; Yamada, Shoichi

2017-02-01

We investigate the influences of the nuclear composition on the weak interaction rates of heavy nuclei during the core collapse of massive stars. The nuclear abundances in nuclear statistical equilibrium (NSE) are calculated by some equation of state (EOS) models including in-medium effects on nuclear masses. We systematically examine the sensitivities of electron capture and neutrino-nucleus scattering on heavy nuclei to the nuclear shell effects and the single-nucleus approximation. We find that the washout of the shell effect at high temperatures brings significant change to weak rates by smoothing the nuclear abundance distribution: the electron capture rate decreases by ˜20 % in the early phase and increases by ˜40 % in the late phase at most, while the cross section for neutrino-nucleus scattering is reduced by ˜15 % . This is because the open-shell nuclei become abundant instead of those with closed neutron shells as the shell effects disappear. We also find that the single-nucleus description based on the average values leads to underestimations of weak rates. Electron captures and neutrino coherent scattering on heavy nuclei are reduced by ˜80 % in the early phase and by ˜5 % in the late phase, respectively. These results indicate that NSE like EOS accounting for shell washout is indispensable for the reliable estimation of weak interaction rates in simulations of core-collapse supernovae.

Attosecond XUV absorption spectroscopy of doubly excited states in helium atoms dressed by a time-delayed femtosecond infrared laser

NASA Astrophysics Data System (ADS)

Yang, Z. Q.; Ye, D. F.; Ding, Thomas; Pfeifer, Thomas; Fu, L. B.

2015-01-01

In the present paper, we investigate the time-resolved transient absorption spectroscopy of doubly excited states of helium atoms by solving the time-dependent two-electron Schrödinger equation numerically based on a one-dimensional model. The helium atoms are subjected to an extreme ultraviolet (XUV) attosecond pulse and a time-delayed infrared (IR) few-cycle laser pulse. A superposition of doubly excited states populated by the XUV pulse is identified, which interferes with the direct ionization pathway leading to Fano resonance profiles in the photoabsorption spectrum. In the presence of an IR laser, however, the Fano line profiles are strongly modified: A shifting, splitting, and broadening of the original absorption lines is observed when the XUV attosecond pulse and infrared few-cycle laser pulse overlap in time, which is in good agreement with recent experimental results. At certain time delays, we observe symmetric Lorentz, inverted Fano profiles, and even negative absorption cross sections indicating that the XUV light can be amplified during the interaction with atoms. We further prove that the above pictures are general for different doubly excited states by suitably varying the frequency of the IR field to coherently couple the corresponding states.

A New Equivalence Theory Method for Treating Doubly Heterogeneous Fuel - II. Verifications

DOE PAGES

Choi, Sooyoung; Kong, Chidong; Lee, Deokjung; ...

2015-03-09

A new methodology has been developed recently to treat resonance self-shielding in systems for which the fuel compact region of a reactor lattice consists of small fuel grains dispersed in a graphite matrix. The theoretical development adopts equivalence theory in both micro- and macro-level heterogeneities to provide approximate analytical expressions for the shielded cross sections, which may be interpolated from a table of resonance integrals or Bondarenko factors using a modified background cross section as the interpolation parameter. This paper describes the first implementation of the theoretical equations in a reactor analysis code. In order to reduce discrepancies caused bymore » use of the rational approximation for collision probabilities in the original derivation, a new formulation for a doubly heterogeneous Bell factor is developed in this paper to improve the accuracy of doubly heterogeneous expressions. This methodology is applied to a wide range of pin cell and assembly test problems with varying geometry parameters, material compositions, and temperatures, and the results are compared with continuous-energy Monte Carlo simulations to establish the accuracy and range of applicability of the new approach. It is shown that the new doubly heterogeneous self-shielding method including the Bell factor correction gives good agreement with reference Monte Carlo results.« less

Constraining Binary Asteroid Mass Distributions Based On Mutual Motion

NASA Astrophysics Data System (ADS)

Davis, Alex B.; Scheeres, Daniel J.

2017-06-01

The mutual gravitational potential and torques of binary asteroid systems results in a complex coupling of attitude and orbital motion based on the mass distribution of each body. For a doubly-synchronous binary system observations of the mutual motion can be leveraged to identify and measure the unique mass distributions of each body. By implementing arbitrary shape and order computation of the full two-body problem (F2BP) equilibria we study the influence of asteroid asymmetries on separation and orientation of a doubly-synchronous system. Additionally, simulations of binary systems perturbed from doubly-synchronous behavior are studied to understand the effects of mass distribution perturbations on precession and nutation rates such that unique behaviors can be isolated and used to measure asteroid mass distributions. We apply our investigation to the Trojan binary asteroid system 617 Patroclus and Menoetius (1906 VY), which will be the final flyby target of the recently announced LUCY Discovery mission in March 2033. This binary asteroid system is of particular interest due to the results of a recent stellar occultation study (DPS 46, id.506.09) that suggests the system to be doubly-synchronous and consisting of two-similarly sized oblate ellipsoids, in addition to suggesting the presence mass asymmetries resulting from an impact crater on the southern limb of Menoetius.

Neutrino Mass Generation at TeV Scale and New Physics Signatures from Charged Higgs at the LHC for Photon Initiated Processes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ghosh, Kirtiman; Homi Bhabha National Institute, Mumbai; Jana, Sudip

We consider the collider phenomenology of a simple extension of the Standard Model (SM), which consists of an EW isospinmore » $3/2$ scalar, $$\\Delta$$ and a pair of EW isospin $1$ vector like fermions, $$\\Sigma$$ and $$\\bar{\\Sigma}$$, responsible for generating tiny neutrino mass via the effective dimension seven operator. This scalar quadruplet with hypercharge Y = 3 has a plethora of implications at the collider experiments. Its signatures at TeV scale colliders are expected to be seen, if the quadruplet masses are not too far above the electroweak symmetry breaking scale. In this article, we study the phenomenology of multi-charged quadruplet scalars. In particular, we study the multi-lepton signatures at the Large Hadron Collider (LHC) experiment, arising from the production and decays of triply and doubly charged scalars. We studied Drell-Yan (DY) pair production as well as pair production of the charged scalars via photon-photon fusion. For doubly and triply charged scalars, photon fusion contributes significantly for large scalar masses. We also studied LHC constraints on the masses of doubly charged scalars in this model. We derive a lower mass limit of 725 GeV on doubly charged quadruplet scalar.« less

Neutrino Mass Generation at TeV Scale and New Physics Signatures from Charged Higgs at the LHC for Photon Initiated Processes

DOE PAGES

Ghosh, Kirtiman; Homi Bhabha National Institute, Mumbai; Jana, Sudip; ...

2018-03-29

We consider the collider phenomenology of a simple extension of the Standard Model (SM), which consists of an EW isospinmore » $3/2$ scalar, $$\\Delta$$ and a pair of EW isospin $1$ vector like fermions, $$\\Sigma$$ and $$\\bar{\\Sigma}$$, responsible for generating tiny neutrino mass via the effective dimension seven operator. This scalar quadruplet with hypercharge Y = 3 has a plethora of implications at the collider experiments. Its signatures at TeV scale colliders are expected to be seen, if the quadruplet masses are not too far above the electroweak symmetry breaking scale. In this article, we study the phenomenology of multi-charged quadruplet scalars. In particular, we study the multi-lepton signatures at the Large Hadron Collider (LHC) experiment, arising from the production and decays of triply and doubly charged scalars. We studied Drell-Yan (DY) pair production as well as pair production of the charged scalars via photon-photon fusion. For doubly and triply charged scalars, photon fusion contributes significantly for large scalar masses. We also studied LHC constraints on the masses of doubly charged scalars in this model. We derive a lower mass limit of 725 GeV on doubly charged quadruplet scalar.« less

Analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculation.

PubMed

Si, Dejun; Li, Hui

2011-10-14

The analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculations are derived and implemented for spin-restricted closed shell (RMP2), Z-averaged spin-restricted open shell (ZAPT2), and spin-unrestricted open shell (UMP2) cases. Using these methods, the geometries of the S(0) ground state and the T(1) state of three nucleobase pairs (guanine-cytosine, adenine-thymine, and adenine-uracil) in the gas phase and aqueous solution phase are optimized. It is found that in both the gas phase and the aqueous solution phase the hydrogen bonds in the T(1) state pairs are weakened by ~1 kcal/mol as compared to those in the S(0) state pairs. © 2011 American Institute of Physics

The environmental effect on the radial breathing mode of carbon nanotubes. II. Shell model approximation for internally and externally adsorbed fluids

NASA Astrophysics Data System (ADS)

Longhurst, M. J.; Quirke, N.

2006-11-01

We have previously shown that the upshift in the radial breathing mode (RBM) of closed (or infinite) carbon nanotubes in solution is almost entirely due to coupling of the RBM with an adsorbed layer of fluid on the nanotube surface. The upshift can be modeled analytically by considering the adsorbed fluid as an infinitesimally thin shell, which interacts with the nanotube via a continuum Lennard-Jones potential. Here we extend the model to include internally as well as externally adsorbed waterlike molecules, and find that filling the nanotubes leads to an additional upshift of two to six wave numbers. We show that using molecular dynamics, the RBM can be accurately reproduced by replacing the fluid molecules with a mean field harmonic shell potential, greatly reducing simulation times.

Measurements of the K -Shell Opacity of a Solid-Density Magnesium Plasma Heated by an X-Ray Free-Electron Laser

DOE PAGES

Preston, T. R.; Vinko, S. M.; Ciricosta, O.; ...

2017-08-25

We present measurements of the spectrally resolved x rays emitted from solid-density magnesium targets of varying sub-μm thicknesses isochorically heated by an x-ray laser. The data exhibit a largely thickness independent source function, allowing the extraction of a measure of the opacity to K-shell x rays within well-defined regimes of electron density and temperature, extremely close to local thermodynamic equilibrium conditions. The deduced opacities at the peak of the Kα transitions of the ions are consistent with those predicted by detailed atomic-kinetics calculations.

Special Features of Light Absorption by the Dimer of Bilayer Microparticles

NASA Astrophysics Data System (ADS)

Geints, Yu. É.; Panina, E. K.; Zemlyanov, A. A.

2018-05-01

Results of numerical simulation of light absorption by the dimer of bilayer spherical particles consisting of a water core and a polymer shell absorbing radiation are presented. The spatial distribution and the amplitude characteristics of the volume density of the absorbed power are investigated. It is shown that for a certain spatial dimer configuration, the maximal achievable density of the absorbed power is realized. It is also established that for closely spaced microcapsules with high shell absorption indices, the total power absorbed in the dimer volume can increase in comparison with the radiation absorption by two insulated microparticles.

A Variational Formulation for the Finite Element Analysis of Sound Wave Propagation in a Spherical Shell

NASA Technical Reports Server (NTRS)

Lebiedzik, Catherine

1995-01-01

Development of design tools to furnish optimal acoustic environments for lightweight aircraft demands the ability to simulate the acoustic system on a workstation. In order to form an effective mathematical model of the phenomena at hand, we have begun by studying the propagation of acoustic waves inside closed spherical shells. Using a fully-coupled fluid-structure interaction model based upon variational principles, we have written a finite element analysis program and are in the process of examining several test cases. Future investigations are planned to increase model accuracy by incorporating non-linear and viscous effects.

The smallest Gliders in the Ocean- Temperature Recordings from Pteropods using SIMS

NASA Astrophysics Data System (ADS)

Keul, N.; Orland, I. J.; Valley, J. W.; Kozdon, R.; deMenocal, P. B.

2016-02-01

During the last few decades, the development, refinement and application of geochemical methods have lead to the establishment of new proxies to estimate global change. The oxygen isotope composition of carbonate shells formed by marine organisms is a widely used proxy for past ocean temperatures. Secondary ion mass spectrometry (SIMS) is a high spatial-resolution in situ technique, allowing oxygen isotope measurements on very small samples (down to 3 μm spot size). Pteropods are pelagic mollusks, producing shells made out of aragonite, which is more soluble than calcite in seawater, making them one of the first responders to climate change. They calcify closely at the aragonite- seawater equilibrium and are therefor ideal candidates to reconstruct temperatures based on their d18O. The oxygen isotopic composition of pteropod shells from sediment traps, net tows and a culture study from the Fram Strait will be presented. Specimens travelled in the Westspitsbergen Current prior to sinking into the sediment. During this transport specimens continue to grow, sequentially adding aragonite to the shell. We show that when using traditional (whole shell) δ18O measurements, the isotopic signatures of whole shells reflect the latitudinal gradient. Combining this with SIMS-derived δ18O measurements on individual shell parts, however, reveals that this is only half the story: Comparing δ18O of earlier (produced further South) and later shell parts (produced further North) shows that pteropods calcify in sequentially shallower water depths, overriding the latitudinal South to North temperature gradient. Combining traditional and novel δ18O measurements can potentially not only allow the reconstruction of temperature/ global warming, but also to assess ecological key parameters, such as habitat depth, at the same time.

Jets or vortices - what flows are generated by an inverse turbulent cascade?

NASA Astrophysics Data System (ADS)

Frishman, Anna; Laurie, Jason; Falkovich, Gregory

An inverse cascade-energy transfer to progressively larger scales - is a salient feature of two-dimensional turbulence. If the cascade reaches the system scale, it creates a coherent flow expected to have the largest available scale and conform with the symmetries of the domain. In a doubly periodic rectangle, the mean flow with zero total momentum was therefore believed to be unidirectional, with two jets along the short side; while for an aspect ratio close to unity, a vortex dipole was expected. Using direct numerical simulations, we show that in fact neither the box symmetry is respected nor the largest scale is realized: the flow is never purely unidirectional since the inverse cascade produces coherent vortices, whose number and relative motion are determined by the aspect ratio. This spontaneous symmetry breaking is closely related to the hierarchy of averaging times. Long-time averaging restores translational invariance due to vortex wandering along one direction, and gives jets whose profile, however, can be deduced neither from the largest-available-scale argument, nor from the often employed maximum-entropy principle or quasi-linear approximation.

Jets or vortices—What flows are generated by an inverse turbulent cascade?

NASA Astrophysics Data System (ADS)

Frishman, Anna; Laurie, Jason; Falkovich, Gregory

2017-03-01

An inverse cascade, energy transfer to progressively larger scales, is a salient feature of two-dimensional turbulence. If the cascade reaches the system scale, it creates a coherent flow expected to have the largest available scale and conform with the symmetries of the domain. In a doubly periodic rectangle, the mean flow with zero total momentum was therefore believed to be unidirectional, with two jets along the short side; while for an aspect ratio close to unity, a vortex dipole is expected. Using direct numerical simulations, we show that in fact neither is the box symmetry respected nor the largest scale realized: the flow is never purely unidirectional since the inverse cascade produces coherent vortices, whose number and relative motion are determined by the aspect ratio. This spontaneous symmetry breaking is closely related to the hierarchy of averaging times. Long-time averaging restores translational invariance due to vortex wandering along one direction, and gives jets whose profile, however, can neither be deduced from the largest-available-scale argument, nor from the often employed maximum-entropy principle or quasilinear approximation.

Doubly Vinylogous Aldol Reaction of Furoate Esters with Aldehydes and Ketones.

PubMed

Hartwig, William T; Sammakia, Tarek

2017-01-06

The use of bulky Lewis acids, aluminum tris(2,6-diphenylphenoxide) (ATPH) and aluminum tris(2,6-di-2-naphthylphenoxide) (ATNP), in the doubly vinylogous aldol reaction between methyl-5-methyl-2-furoate and aldehydes or ketones is described. These reactions proceed smoothly and in high yields with both enolizable and non-enolizable substrates. This C-C bond-forming reaction enables a new bond construction for the synthesis of functionalized furans.

Strong and radiative decays of the doubly charmed baryons

NASA Astrophysics Data System (ADS)

Xiao, Li-Ye; Wang, Kai-Lei; Lü, Qi-Fang; Zhong, Xian-Hui; Zhu, Shi-Lin

2017-11-01

We have systematically studied the strong and radiative decays of the low-lying 1 P -wave doubly charmed baryons. Some interesting observations are: (i) The states Ξcc * and Ωcc * with JP=3 /2+ have a fairly large decay rate into the Ξc cγ and Ωc cγ channels with a width ˜15 and ˜7 keV , respectively. (ii) The lowest lying excited doubly charmed baryons are dominated by the 1 P ρ mode excitations, which should be quite narrow states. They decay into the ground state with JP=1 /2+ through the radiative transitions with a significant ratio. (iii) The total decay widths of the first orbital excitations of λ mode (1 Pλ states with JP=1 /2-, 3 /2-, 5 /2-) are about Γ ˜100 MeV , and the ratio between the radiative and hadronic decay widths is about O (10-3).

All possible tripartitions of {}(236) 236U isotope in collinear configuration

NASA Astrophysics Data System (ADS)

Santhosh, K. P.; Krishnan, Sreejith; Joseph, Jayesh George

2018-07-01

Using the recently proposed unified ternary fission model (UTFM), the tripartition of ^{236}U isotope was studied for all possible fragmentations, in which the interacting potential barrier is taken as the sum of the Coulomb and proximity potentials with fragments in collinear configuration. The highest yield is obtained for the fragmentation ^{48}Ca{+}^{58}Ti{+}^{130}Sn and next highest yield is found for ^{58}Cr{+}^{46}Ar{+}^{132}Sn, which stress the importance of doubly magic or near doubly magic nuclei in the tripartition of ^{236}U isotope. The formation of ^{68}Ni and ^{70}Ni as the edge fragments linking the doubly magic nucleus ^{132}Sn by the isotope of Si is in good agreement with experimental and theoretical studies, in the collinear cluster tripartition of ^{236}U isotope which reveals the reliability of our model (UTFM) in ternary fission.

The Born-Infeld vortices induced from a generalized Higgs mechanism.

PubMed

Han, Xiaosen

2016-04-01

We construct self-dual Born-Infeld vortices induced from a generalized Higgs mechanism. Two specific models of the theory are of focused interest where the Higgs potential is either of a | ϕ | 4 - or | ϕ | 6 -type. For the | ϕ | 4 -model, we obtain a sharp existence and uniqueness theorem for doubly periodic and planar vortices. For doubly periodic solutions, a necessary and sufficient condition for the existence is explicitly derived in terms of the vortex number, the Born-Infeld parameter, and the size of the periodic lattice domain. For the | ϕ | 6 -model, we show that both topological and non-topological vortices are present. This new phenomenon distinguishes the model from the classical Born-Infeld-Higgs theory studied earlier in the literature. A series of results regarding doubly periodic, topological, and non-topological vortices in the | ϕ | 6 -model are also established.

Coulomb-repulsion-assisted double ionization from doubly excited states of argon

NASA Astrophysics Data System (ADS)

Liao, Qing; Winney, Alexander H.; Lee, Suk Kyoung; Lin, Yun Fei; Adhikari, Pradip; Li, Wen

2017-08-01

We report a combined experimental and theoretical study to elucidate nonsequential double-ionization dynamics of argon atoms at laser intensities near and below the recollision-induced ionization threshold. Three-dimensional momentum measurements of two electrons arising from strong-field nonsequential double ionization are achieved with a custom-built electron-electron-ion coincidence apparatus, showing laser intensity-dependent Coulomb repulsion effect between the two outgoing electrons. Furthermore, a previously predicted feature of double ionization from doubly excited states is confirmed in the distributions of sum of two-electron momenta. A classical ensemble simulation suggests that Coulomb-repulsion-assisted double ionization from doubly excited states is at play at low laser intensity. This mechanism can explain the dependence of Coulomb repulsion effect on the laser intensity, as well as the transition from side-by-side to back-to-back dominant emission along the laser polarization direction.

The Born–Infeld vortices induced from a generalized Higgs mechanism

PubMed Central

2016-01-01

We construct self-dual Born–Infeld vortices induced from a generalized Higgs mechanism. Two specific models of the theory are of focused interest where the Higgs potential is either of a |ϕ|4- or |ϕ|6-type. For the |ϕ|4-model, we obtain a sharp existence and uniqueness theorem for doubly periodic and planar vortices. For doubly periodic solutions, a necessary and sufficient condition for the existence is explicitly derived in terms of the vortex number, the Born–Infeld parameter, and the size of the periodic lattice domain. For the |ϕ|6-model, we show that both topological and non-topological vortices are present. This new phenomenon distinguishes the model from the classical Born–Infeld–Higgs theory studied earlier in the literature. A series of results regarding doubly periodic, topological, and non-topological vortices in the |ϕ|6-model are also established. PMID:27274694

Entropy production of doubly stochastic quantum channels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Müller-Hermes, Alexander, E-mail: muellerh@posteo.net; Department of Mathematical Sciences, University of Copenhagen, 2100 Copenhagen; Stilck França, Daniel, E-mail: dsfranca@mytum.de

2016-02-15

We study the entropy increase of quantum systems evolving under primitive, doubly stochastic Markovian noise and thus converging to the maximally mixed state. This entropy increase can be quantified by a logarithmic-Sobolev constant of the Liouvillian generating the noise. We prove a universal lower bound on this constant that stays invariant under taking tensor-powers. Our methods involve a new comparison method to relate logarithmic-Sobolev constants of different Liouvillians and a technique to compute logarithmic-Sobolev inequalities of Liouvillians with eigenvectors forming a projective representation of a finite abelian group. Our bounds improve upon similar results established before and as an applicationmore » we prove an upper bound on continuous-time quantum capacities. In the last part of this work we study entropy production estimates of discrete-time doubly stochastic quantum channels by extending the framework of discrete-time logarithmic-Sobolev inequalities to the quantum case.« less

Simulation for Grid Connected Wind Turbines with Fluctuating

NASA Astrophysics Data System (ADS)

Ye, Ying; Fu, Yang; Wei, Shurong

This paper establishes the whole dynamic model of wind turbine generator system which contains the wind speed model and DFIG wind turbines model .A simulation sample based on the mathematical models is built by using MATLAB in this paper. Research are did on the performance characteristics of doubly-fed wind generators (DFIG) which connected to power grid with three-phase ground fault and the disturbance by gust and mixed wind. The capacity of the wind farm is 9MW which consists of doubly-fed wind generators (DFIG). Simulation results demonstrate that the three-phase ground fault occurs on grid side runs less affected on the stability of doubly-fed wind generators. However, as a power source, fluctuations of the wind speed will run a large impact on stability of double-fed wind generators. The results also show that if the two disturbances occur in the meantime, the situation will be very serious.

Neural network based control of Doubly Fed Induction Generator in wind power generation

NASA Astrophysics Data System (ADS)

Barbade, Swati A.; Kasliwal, Prabha

2012-07-01

To complement the other types of pollution-free generation wind energy is a viable option. Previously wind turbines were operated at constant speed. The evolution of technology related to wind systems industry leaded to the development of a generation of variable speed wind turbines that present many advantages compared to the fixed speed wind turbines. In this paper the phasor model of DFIG is used. This paper presents a study of a doubly fed induction generator driven by a wind turbine connected to the grid, and controlled by artificial neural network ANN controller. The behaviour of the system is shown with PI control, and then as controlled by ANN. The effectiveness of the artificial neural network controller is compared to that of a PI controller. The SIMULINK/MATLAB simulation for Doubly Fed Induction Generator and corresponding results and waveforms are displayed.

Nuclear Chemistry: Include It in Your Curriculum.

ERIC Educational Resources Information Center

Atwood, Charles H.; Sheline, R. K.

1989-01-01

Some of the topics that might be included in a nuclear chemistry section are explored. Offers radioactivity, closed shells in nuclei, energy of nuclear processes, nuclear reactions, and fission and fusion as topics of interest. Provided are ideas and examples for each. (MVL)

Curvature-Induced Instabilities of Shells

NASA Astrophysics Data System (ADS)

Pezzulla, Matteo; Stoop, Norbert; Steranka, Mark P.; Bade, Abdikhalaq J.; Holmes, Douglas P.

2018-01-01

Induced by proteins within the cell membrane or by differential growth, heating, or swelling, spontaneous curvatures can drastically affect the morphology of thin bodies and induce mechanical instabilities. Yet, the interaction of spontaneous curvature and geometric frustration in curved shells remains poorly understood. Via a combination of precision experiments on elastomeric spherical shells, simulations, and theory, we show how a spontaneous curvature induces a rotational symmetry-breaking buckling as well as a snapping instability reminiscent of the Venus fly trap closure mechanism. The instabilities, and their dependence on geometry, are rationalized by reducing the spontaneous curvature to an effective mechanical load. This formulation reveals a combined pressurelike term in the bulk and a torquelike term in the boundary, allowing scaling predictions for the instabilities that are in excellent agreement with experiments and simulations. Moreover, the effective pressure analogy suggests a curvature-induced subcritical buckling in closed shells. We determine the critical buckling curvature via a linear stability analysis that accounts for the combination of residual membrane and bending stresses. The prominent role of geometry in our findings suggests the applicability of the results over a wide range of scales.

Photogenerated carriers transport behaviors in L-cysteine capped ZnSe core-shell quantum dots

NASA Astrophysics Data System (ADS)

Shan, Qingsong; Li, Kuiying; Xue, Zhenjie; Lin, Yingying; Yin, Hua; Zhu, Ruiping

2016-02-01

The photoexcited carrier transport behavior of zinc selenide (ZnSe) quantum dots (QDs) with core-shell structure is studied because of their unique photoelectronic characteristics. The surface photovoltaic (SPV) properties of self-assembled ZnSe/ZnS/L-Cys core-shell QDs were probed via electric field induced surface photovoltage and transient photovoltage (TPV) measurements supplemented by Fourier transform infrared, laser Raman, absorption, and photoluminescence spectroscopies. The ZnSe QDs displayed p-type SPV characteristics with a broader stronger SPV response over the whole ultraviolet-to-near-infrared range compared with those of other core-shell QDs in the same group. The relationship between the SPV phase value of the QDs and external bias was revealed in their SPV phase spectrum. The wide transient photovoltage response region from 3.3 × 10-8 to 2 × 10-3 s was closely related to the long diffusion distance of photoexcited free charge carriers in the interfacial space-charge region of the QDs. The strong SPV response corresponding to the ZnSe core mainly originated from an obvious quantum tunneling effect in the QDs.

Investigation of magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures

NASA Astrophysics Data System (ADS)

Das, Kalipada

2017-10-01

In our present study, we address in detail the magnetic and magneto-transport properties of ferromagnetic-charge ordered core-shell nanostructures. In these core-shell nanostructures, well-known half metallic La0.67Sr0.33MnO3 nanoparticles (average particle size, ˜20 nm) are wrapped by the charge ordered antiferromagnetic Pr0.67Ca0.33MnO3 (PCMO) matrix. The intrinsic properties of PCMO markedly modify it into such a core-shell form. The robustness of the PCMO matrix becomes fragile and melts at an external magnetic field (H) of ˜20 kOe. The analysis of magneto-transport data indicates the systematic reduction of the electron-electron and electron-magnon interactions in the presence of an external magnetic field in these nanostructures. The pronounced training effect appears in this phase separated compound, which was analyzed by considering the second order tunneling through the grain boundaries of the nanostructures. Additionally, the analysis of low field magnetoconductance data supports the second order tunneling and shows the close value of the universal limit (˜1.33).

The draft genomes of soft-shell turtle and green sea turtle yield insights into the development and evolution of the turtle-specific body plan.

PubMed

Wang, Zhuo; Pascual-Anaya, Juan; Zadissa, Amonida; Li, Wenqi; Niimura, Yoshihito; Huang, Zhiyong; Li, Chunyi; White, Simon; Xiong, Zhiqiang; Fang, Dongming; Wang, Bo; Ming, Yao; Chen, Yan; Zheng, Yuan; Kuraku, Shigehiro; Pignatelli, Miguel; Herrero, Javier; Beal, Kathryn; Nozawa, Masafumi; Li, Qiye; Wang, Juan; Zhang, Hongyan; Yu, Lili; Shigenobu, Shuji; Wang, Junyi; Liu, Jiannan; Flicek, Paul; Searle, Steve; Wang, Jun; Kuratani, Shigeru; Yin, Ye; Aken, Bronwen; Zhang, Guojie; Irie, Naoki

2013-06-01

The unique anatomical features of turtles have raised unanswered questions about the origin of their unique body plan. We generated and analyzed draft genomes of the soft-shell turtle (Pelodiscus sinensis) and the green sea turtle (Chelonia mydas); our results indicated the close relationship of the turtles to the bird-crocodilian lineage, from which they split ∼267.9-248.3 million years ago (Upper Permian to Triassic). We also found extensive expansion of olfactory receptor genes in these turtles. Embryonic gene expression analysis identified an hourglass-like divergence of turtle and chicken embryogenesis, with maximal conservation around the vertebrate phylotypic period, rather than at later stages that show the amniote-common pattern. Wnt5a expression was found in the growth zone of the dorsal shell, supporting the possible co-option of limb-associated Wnt signaling in the acquisition of this turtle-specific novelty. Our results suggest that turtle evolution was accompanied by an unexpectedly conservative vertebrate phylotypic period, followed by turtle-specific repatterning of development to yield the novel structure of the shell.

Activated coconut shell charcoal carbon using chemical-physical activation

NASA Astrophysics Data System (ADS)

Budi, Esmar; Umiatin, Nasbey, Hadi; Bintoro, Ridho Akbar; Wulandari, Futri; Erlina

2016-02-01

The use of activated carbon from natural material such as coconut shell charcoal as metal absorbance of the wastewater is a new trend. The activation of coconut shell charcoal carbon by using chemical-physical activation has been investigated. Coconut shell was pyrolized in kiln at temperature about 75 - 150 °C for about 6 hours in producing charcoal. The charcoal as the sample was shieved into milimeter sized granule particle and chemically activated by immersing in various concentration of HCl, H3PO4, KOH and NaOH solutions. The samples then was physically activated using horizontal furnace at 400°C for 1 hours in argon gas environment with flow rate of 200 kg/m3. The surface morphology and carbon content of activated carbon were characterized by using SEM/EDS. The result shows that the pores of activated carbon are openned wider as the chemical activator concentration is increased due to an excessive chemical attack. However, the pores tend to be closed as further increasing in chemical activator concentration due to carbon collapsing.

Response of a shell structure subject to distributed harmonic excitation

NASA Astrophysics Data System (ADS)

Cao, Rui; Bolton, J. Stuart

2016-09-01

Previously, a coupled, two-dimensional structural-acoustic ring model was constructed to simulate the dynamic and acoustical behavior of pneumatic tires. Analytical forced solutions were obtained and were experimentally verified through laser velocimeter measurement made using automobile tires. However, the two-dimensional ring model is incapable of representing higher order, in-plane modal motion in either the circumferential or axial directions. Therefore, in this paper, a three-dimensional pressurized circular shell model is proposed to study the in-plane shearing motion and the effect of different forcing conditions. Closed form analytical solutions were obtained for both free and forced vibrations of the shell under simply supported boundary conditions. Dispersion relations were calculated and different wave types were identified by their different speeds. Shell surface mobility results under various input distributions were also studied and compared. Spatial Fourier series decompositions were also performed on the spatial mobility results to give the forced dispersion relations, which illustrate clearly the influence of input force spatial distribution. Such a model has practical application in identifying the sources of noise and vibration problems in automotive tires.

Experimental Demonstration of Underwater Acoustic Scattering Cancellation

PubMed Central

Rohde, Charles A.; Martin, Theodore P.; Guild, Matthew D.; Layman, Christopher N.; Naify, Christina J.; Nicholas, Michael; Thangawng, Abel L.; Calvo, David C.; Orris, Gregory J.

2015-01-01

We explore an acoustic scattering cancellation shell for buoyant hollow cylinders submersed in a water background. A thin, low-shear, elastic coating is used to cancel the monopole scattering from an air-filled, neutrally buoyant steel shell for all frequencies where the wavelength is larger than the object diameter. By design, the uncoated shell also has an effective density close to the aqueous background, independently canceling its dipole scattering. Due to the significantly reduced monopole and dipole scattering, the compliant coating results in a hollow cylindrical inclusion that is simultaneously impedance and sound speed matched to the water background. We demonstrate the proposed cancellation method with a specific case, using an array of hollow steel cylinders coated with thin silicone rubber shells. These experimental results are matched to finite element modeling predictions, confirming the scattering reduction. Additional calculations explore the optimization of the silicone coating properties. Using this approach, it is found that scattering cross-sections can be reduced by 20 dB for all wavelengths up to k0a = 0.85. PMID:26282067

Magnetic diagnostics for the lithium tokamak experiment.

PubMed

Berzak, L; Kaita, R; Kozub, T; Majeski, R; Zakharov, L

2008-10-01

The lithium tokamak experiment (LTX) is a spherical tokamak with R(0)=0.4 m, a=0.26 m, B(TF) approximately 3.4 kG, I(P) approximately 400 kA, and pulse length approximately 0.25 s. The focus of LTX is to investigate the novel low-recycling lithium wall operating regime for magnetically confined plasmas. This regime is reached by placing an in-vessel shell conformal to the plasma last closed flux surface. The shell is heated and then coated with liquid lithium. An extensive array of magnetic diagnostics is available to characterize the experiment, including 80 Mirnov coils (single and double axis, internal and external to the shell), 34 flux loops, 3 Rogowskii coils, and a diamagnetic loop. Diagnostics are specifically located to account for the presence of a secondary conducting surface and engineered to withstand both high temperatures and incidental contact with liquid lithium. The diagnostic set is therefore fabricated from robust materials with heat and lithium resistance and is designed for electrical isolation from the shell and to provide the data required for highly constrained equilibrium reconstructions.

Ultraviolet observations of close-binary and pulsating nuclei of planetary nebulae; Winds and shells around low-mass supergiants; The close-binary nucleus of the planetary nebula HFG-1; A search for binary nuclei of planetary nebulae; UV monitoring of irregularly variable planetary nuclei; and The pulsating nucleus of the planetary nebula Lo 4

NASA Technical Reports Server (NTRS)

Bond, Howard E.

1992-01-01

A brief summary of the research highlights is presented. The topics covered include the following: binary nuclei of planetary nebulae; other variable planetary nuclei; low-mass supergiants; and other IUE-related research.

Bistable mixed-valence molecular architectures for bit storage

NASA Astrophysics Data System (ADS)

Guihery, Nathalie; Durand, Gérard; Lepetit, Marie-Bernadette

1994-05-01

The work examines the possible realization of bit storage at the molecular scale using mixed valence compounds i.e. the existence of two stable and degenerate forms associated with the 0 and 1 positions of the bit. The proposed systems are constituted of two donors (D) and acceptor (A), or one donor and two acceptors, juxtaposed in DAD or ADA architectures. Our proposals take advantage of the possibility of donor—acceptor complexes to exhibit either complete or partial charge transfer. The first system we propose has an essentially neutral ground state. However, the potential energy surface (PES) presents two degenerated minima associated with a partial charge transfer between the donor and one of the two acceptor molecules (A δ-D δ+1 A and AD δ+ A δ-). Systems presenting a complete charge transfer give rise to two stable, weakly coupled, and degenerate ionic electronic states, A - A + A and AD + A - for an ADA architecture and D + A -D and DA -D + for a DAD In these cases, the two forms differ by both their intramolecular geometries and the relative positions of their constituents. It seems rather difficult to conceive such bistable molecular systems using closed-shell molecules, while a donor radical and a closed-shell acceptor or an acceptor radical and closed-shell donor can generate very stable ionic states. It is assumed that the relative positions of the donor and acceptor molecules can be fixed using chemical bridges constituted of rigid or flexible ligands. The writing and reading processes are discussed for each system as well as the information stability when a large number of bits are juxtaposed on a surface.

Multi-parameter optimization of piezoelectric actuators for multi-mode active vibration control of cylindrical shells

NASA Astrophysics Data System (ADS)

Hu, K. M.; Li, Hua

2018-07-01

A novel technique for the multi-parameter optimization of distributed piezoelectric actuators is presented in this paper. The proposed method is designed to improve the performance of multi-mode vibration control in cylindrical shells. The optimization parameters of actuator patch configuration include position, size, and tilt angle. The modal control force of tilted orthotropic piezoelectric actuators is derived and the multi-parameter cylindrical shell optimization model is established. The linear quadratic energy index is employed as the optimization criterion. A geometric constraint is proposed to prevent overlap between tilted actuators, which is plugged into a genetic algorithm to search the optimal configuration parameters. A simply-supported closed cylindrical shell with two actuators serves as a case study. The vibration control efficiencies of various parameter sets are evaluated via frequency response and transient response simulations. The results show that the linear quadratic energy indexes of position and size optimization decreased by 14.0% compared to position optimization; those of position and tilt angle optimization decreased by 16.8%; and those of position, size, and tilt angle optimization decreased by 25.9%. It indicates that, adding configuration optimization parameters is an efficient approach to improving the vibration control performance of piezoelectric actuators on shells.

Multiconfigurational short-range density-functional theory for open-shell systems

NASA Astrophysics Data System (ADS)

Hedegârd, Erik Donovan; Toulouse, Julien; Jensen, Hans Jørgen Aagaard

2018-06-01

Many chemical systems cannot be described by quantum chemistry methods based on a single-reference wave function. Accurate predictions of energetic and spectroscopic properties require a delicate balance between describing the most important configurations (static correlation) and obtaining dynamical correlation efficiently. The former is most naturally done through a multiconfigurational (MC) wave function, whereas the latter can be done by, e.g., perturbation theory. We have employed a different strategy, namely, a hybrid between multiconfigurational wave functions and density-functional theory (DFT) based on range separation. The method is denoted by MC short-range DFT (MC-srDFT) and is more efficient than perturbative approaches as it capitalizes on the efficient treatment of the (short-range) dynamical correlation by DFT approximations. In turn, the method also improves DFT with standard approximations through the ability of multiconfigurational wave functions to recover large parts of the static correlation. Until now, our implementation was restricted to closed-shell systems, and to lift this restriction, we present here the generalization of MC-srDFT to open-shell cases. The additional terms required to treat open-shell systems are derived and implemented in the DALTON program. This new method for open-shell systems is illustrated on dioxygen and [Fe(H2O)6]3+.

Core–shell-structured Li 3V 2(PO 4) 3 –LiVOPO 4 nanocomposites cathode for high-rate and long-life lithium-ion batteries

DOE PAGES

Sun, Pingping; Wang, Xiuzhen; Zhu, Kai; ...

2017-01-13

A facile strategy has been developed to construct unique core–shell-structured Li 2.7V 2.1(PO 4) 3 nanocomposites with a Li 3V 2(PO 4) 3 core and LiVOPO 4 shell by using nonstoichiometric design and high-energy ball milling (HEBM) treatment. The HEBM treatment supplies enough energy to drive the excess V atoms to the surface to form a V-enriched shell. Such kind of cathode can deliver a high reversible capacity of 131.5 mAhg $-$1 at 0.5 C, which is close to the theoretical capacity (133 mAhg $-$1 in 3.0–4.3 V). Even at 20 C, it still delivers an excellent discharge capacity ofmore » 116.3 mAhg $-$1, and a remarkable capacity of 111.0 mAhg $-$1 after 1000 cycles, corresponding to an ultra-small capacity-loss of 0.0046% per cycle. Finally, the significantly improved high-rate electrochemical performance can be attributed to the active shell of LiVOPO 4, which not only efficiently facilitates the electron and Li + ion transport during cycling processes, but also accommodates more Li+ ions to effectively compensate the capacity loss of the core.« less

Detached dust shell around Wolf-Rayet star WR60-6 in the young stellar cluster VVV CL036

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borissova, J.; Amigo, P.; Kurtev, R.

The discovery of a detached dust shell around the Wolf-Rayet (WR) star WR60-6 in the young stellar cluster VVV CL036 is reported. This shell is uncovered through the Spitzer-MIPS 24 μm image, where it appears brightest, and it is invisible at shorter wavelengths. Using new APEX observations and other data available from the literature, we have estimated some of the shell parameters: the inner and outer radii of 0.15 and 0.90 pc, respectively; the overall systemic velocity of the molecular {sup 12}CO(3 → 2) emission of –45.7 ± 2.3 km s{sup –1}; an expansion velocity of the gas of 16.3more » ± 1 km s{sup –1}; the dust temperature and opacity of 122 ± 12 K and 1.04, respectively; and an age of 2.8 × 10{sup 4} yr. The WR star displays some cyclic variability. The mass computed for the WR60-6 nebula indicates that the material was probably ejected during its previous stages of evolution. In addition, we have identified a bright spot very close to the shell, which can be associated with the Midcourse Space Experiment source G312.13+00.20.« less

Design and modeling of an additive manufactured thin shell for x-ray astronomy

NASA Astrophysics Data System (ADS)

Feldman, Charlotte; Atkins, Carolyn; Brooks, David; Watson, Stephen; Cochrane, William; Roulet, Melanie; Willingale, Richard; Doel, Peter

2017-09-01

Future X-ray astronomy missions require light-weight thin shells to provide large collecting areas within the weight limits of launch vehicles, whilst still delivering angular resolutions close to that of Chandra (0.5 arc seconds). Additive manufacturing (AM), also known as 3D printing, is a well-established technology with the ability to construct or `print' intricate support structures, which can be both integral and light-weight, and is therefore a candidate technique for producing shells for space-based X-ray telescopes. The work described here is a feasibility study into this technology for precision X-ray optics for astronomy and has been sponsored by the UK Space Agency's National Space Technology Programme. The goal of the project is to use a series of test samples to trial different materials and processes with the aim of developing a viable path for the production of an X-ray reflecting prototype for astronomical applications. The initial design of an AM prototype X-ray shell is presented with ray-trace modelling and analysis of the X-ray performance. The polishing process may cause print-through from the light-weight support structure on to the reflecting surface. Investigations in to the effect of the print-through on the X-ray performance of the shell are also presented.

Cinderella's helping pigeons of the microbial world: The potential of testate amoebae for identifying cryptotephra.

PubMed

Delaine, Maxence; Fernández, Leonardo D; Armynot du Châtelet, Eric; Recourt, Philippe; Potdevin, Jean-Luc; Mitchell, Edward A D; Bernard, Nadine

2016-09-01

Cryptotephra (particles <125μm) is a key record for monitoring past and current volcanic activity. However, its extraction from the host sediment and analysis is often long and difficult because of its small size. Finding a simple method to extract cryptotephra from environmental samples would therefore make its analysis much easier. We hypothesized that arcellinid testate amoebae may hold such a potential. These free-living shelled protists are among the earliest microorganisms to colonize volcanic tephra, and build their shell by agglutinating minerals from their environment. We analyzed by X-ray Spectrometry the mineral signature of tephra from the 2011 Puyehue-Cordon Caulle Volcanic Complex (Chile) eruption ash fallout and compared it to that of the shells of 51 individual testate amoebae (three individuals from each of 17 species) from 13 samples collected at different distances from the active vent. The mineral composition of particles within shells closely matched that of similar size class particles from their environment. The capacity of testate amoebae to randomly use mineral grains from their environment makes it possible to use their shells to assess the mineral composition of cryptotephra from soil, peat or sediment samples. Testate amoebae therefore represent the microbial world's version of Cinderella's helping pigeons. Copyright © 2016 Elsevier GmbH. All rights reserved.

Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture

NASA Astrophysics Data System (ADS)

Spickermann, C.; Thar, J.; Lehmann, S. B. C.; Zahn, S.; Hunger, J.; Buchner, R.; Hunt, P. A.; Welton, T.; Kirchner, B.

2008-09-01

In this study we present the results of a first principles molecular dynamics simulation of a single 1-ethyl-3-methyl-imidazolium chloride [C2C1im][Cl] ion pair dissolved in 60 water molecules. We observe a preference of the in plane chloride coordination with respect to the cation ring plane as compared to the energetic slightly more demanding on top coordination. Evaluation of the different radial distribution functions demonstrates that the structure of the hydration shell around the ion pair differs significantly from bulk water and that no true ion pair dissociation in terms of completely autonomous solvation shells takes place on the timescale of the simulation. In addition, dipole moment distributions of the solvent in distinct solvation shells around different functional parts of the [C2C1im][Cl] ion pair are calculated from maximally localized Wannier functions. The analysis of these distributions gives evidence for a depolarization of water molecules close to the hydrophobic parts of the cation as well as close to the anion. Examination of the angular distribution of different OH(H2O )-X angles in turn shows a linear coordination of chloride accompanied by a tangential orientation of water molecules around the hydrophobic groups, being a typical feature of hydrophobic hydration. Based on these orientational aspects, a structural model for the obvious preference of ion pair association is developed, which justifies the associating behavior of solvated [C2C1im][Cl] ions in terms of an energetically favorable interface between the solvation shells of the anion and the hydrophobic parts of the cation.

Why are ionic liquid ions mainly associated in water? A Car-Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture.

PubMed

Spickermann, C; Thar, J; Lehmann, S B C; Zahn, S; Hunger, J; Buchner, R; Hunt, P A; Welton, T; Kirchner, B

2008-09-14

In this study we present the results of a first principles molecular dynamics simulation of a single 1-ethyl-3-methyl-imidazolium chloride [C(2)C(1)im][Cl] ion pair dissolved in 60 water molecules. We observe a preference of the in plane chloride coordination with respect to the cation ring plane as compared to the energetic slightly more demanding on top coordination. Evaluation of the different radial distribution functions demonstrates that the structure of the hydration shell around the ion pair differs significantly from bulk water and that no true ion pair dissociation in terms of completely autonomous solvation shells takes place on the timescale of the simulation. In addition, dipole moment distributions of the solvent in distinct solvation shells around different functional parts of the [C(2)C(1)im][Cl] ion pair are calculated from maximally localized Wannier functions. The analysis of these distributions gives evidence for a depolarization of water molecules close to the hydrophobic parts of the cation as well as close to the anion. Examination of the angular distribution of different OH(H(2)O)-X angles in turn shows a linear coordination of chloride accompanied by a tangential orientation of water molecules around the hydrophobic groups, being a typical feature of hydrophobic hydration. Based on these orientational aspects, a structural model for the obvious preference of ion pair association is developed, which justifies the associating behavior of solvated [C(2)C(1)im][Cl] ions in terms of an energetically favorable interface between the solvation shells of the anion and the hydrophobic parts of the cation.

Equation of state of dark energy in f (R ) gravity

NASA Astrophysics Data System (ADS)

Takahashi, Kazufumi; Yokoyama, Jun'ichi

2015-04-01

f (R ) gravity is one of the simplest generalizations of general relativity, which may explain the accelerated cosmic expansion without introducing a cosmological constant. Transformed into the Einstein frame, a new scalar degree of freedom appears and it couples with matter fields. In order for f (R ) theories to pass the local tests of general relativity, it has been known that the chameleon mechanism with a so-called thin-shell solution must operate. If the thin-shell constraint is applied to a cosmological situation, it has been claimed that the equation-of-state parameter of dark energy w must be extremely close to -1 . We argue this is due to the incorrect use of the Poisson equation, which is valid only in the static case. By solving the correct Klein-Gordon equation perturbatively, we show that a thin-shell solution exists even if w deviates appreciably from -1 .

Covalent Binding with Neutrons on the Femto-scale

NASA Astrophysics Data System (ADS)

von Oertzen, W.; Kanada-En'yo, Y.; Kimura, M.

2017-06-01

In light nuclei we have well defined clusters, nuclei with closed shells, which serve as centers for binary molecules with covalent binding by valence neutrons. Single neutron orbitals in light neutron-excess nuclei have well defined shell model quantum numbers. With the combination of two clusters and their neutron valence states, molecular two-center orbitals are defined; in the two-center shell model we can place valence neutrons in a large variety of molecular two-center states, and the formation of Dimers becomes possible. The corresponding rotational bands point with their large moments of inertia and the Coriolis decoupling effect (for K = 1/2 bands) to the internal molecular orbital structure in these states. On the basis of these the neutron rich isotopes allow the formation of a large variety molecular structures on the nuclear scale. An extended Ikeda diagram can be drawn for these cases. Molecular bands in Be and Ne-isotopes are discussed as text-book examples.

Stable Radical Materials for Energy Applications.

PubMed

Wilcox, Daniel A; Agarkar, Varad; Mukherjee, Sanjoy; Boudouris, Bryan W

2018-06-07

Although less studied than their closed-shell counterparts, materials containing stable open-shell chemistries have played a key role in many energy storage and energy conversion devices. In particular, the oxidation-reduction (redox) properties of these stable radicals have made them a substantial contributor to the progress of organic batteries. Moreover, the use of radical-based materials in photovoltaic devices and thermoelectric systems has allowed for these emerging molecules to have impacts in the energy conversion realm. Additionally, the unique doublet states of radical-based materials provide access to otherwise inaccessible spin states in optoelectronic devices, offering many new opportunities for efficient usage of energy in light-emitting devices. Here, we review the current state of the art regarding the molecular design, synthesis, and application of stable radicals in these energy-related applications. Finally, we point to fundamental and applied arenas of future promise for these designer open-shell molecules, which have only just begun to be evaluated in full.

IMPACT OF NEW GAMOW–TELLER STRENGTHS ON EXPLOSIVE TYPE IA SUPERNOVA NUCLEOSYNTHESIS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mori, Kanji; Famiano, Michael A.; Kajino, Toshitaka

2016-12-20

Recent experimental results have confirmed a possible reduction in the Gamow–Teller (GT{sub +}) strengths of pf-shell nuclei. These proton-rich nuclei are of relevance in the deflagration and explosive burning phases of SNe Ia. While prior GT strengths result in nucleosynthesis predictions with a lower-than-expected electron fraction, a reduction in the GT{sub +} strength can result in a slightly increased electron fraction compared to previous shell model predictions, though the enhancement is not as large as previous enhancements in going from rates computed by Fuller, Fowler, and Newman based on an independent particle model. A shell model parametrization has been developed thatmore » more closely matches experimental GT strengths. The resultant electron-capture rates are used in nucleosynthesis calculations for carbon deflagration and explosion phases of SNe Ia, and the final mass fractions are compared to those obtained using more commonly used rates.« less

Quantifying immediate price impact of trades based on the k-shell decomposition of stock trading networks

NASA Astrophysics Data System (ADS)

Xie, Wen-Jie; Li, Ming-Xia; Xu, Hai-Chuan; Chen, Wei; Zhou, Wei-Xing; Stanley, H. Eugene

2016-10-01

Traders in a stock market exchange stock shares and form a stock trading network. Trades at different positions of the stock trading network may contain different information. We construct stock trading networks based on the limit order book data and classify traders into k classes using the k-shell decomposition method. We investigate the influences of trading behaviors on the price impact by comparing a closed national market (A-shares) with an international market (B-shares), individuals and institutions, partially filled and filled trades, buyer-initiated and seller-initiated trades, and trades at different positions of a trading network. Institutional traders professionally use some trading strategies to reduce the price impact and individuals at the same positions in the trading network have a higher price impact than institutions. We also find that trades in the core have higher price impacts than those in the peripheral shell.

Impact of New Gamow-Teller Strengths on Explosive Type Ia Supernova Nucleosynthesis

NASA Astrophysics Data System (ADS)

Mori, Kanji; Famiano, Michael A.; Kajino, Toshitaka; Suzuki, Toshio; Hidaka, Jun; Honma, Michio; Iwamoto, Koichi; Nomoto, Ken'ichi; Otsuka, Takaharu

2016-12-01

Recent experimental results have confirmed a possible reduction in the Gamow-Teller (GT+) strengths of pf-shell nuclei. These proton-rich nuclei are of relevance in the deflagration and explosive burning phases of SNe Ia. While prior GT strengths result in nucleosynthesis predictions with a lower-than-expected electron fraction, a reduction in the GT+ strength can result in a slightly increased electron fraction compared to previous shell model predictions, though the enhancement is not as large as previous enhancements in going from rates computed by Fuller, Fowler, and Newman based on an independent particle model. A shell model parametrization has been developed that more closely matches experimental GT strengths. The resultant electron-capture rates are used in nucleosynthesis calculations for carbon deflagration and explosion phases of SNe Ia, and the final mass fractions are compared to those obtained using more commonly used rates.

Alpha decay hindrance factors and reflection asymmetry in nuclei

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sheline, R.K.; Bossinga, B.B.

1991-07-01

All available hindrance factors of alpha transitions to low-lying negative-parity states in doubly even nuclei, to odd-{ital A} parity doublets and to doubly odd parity doublet bands, are used to study the systematics of reflection asymmetry in the {ital A}{similar to}218--230 region. Special attention is given to the polarization effect of the odd particle in increasing reflection asymmetry and therefore decreasing hindrance factors to the opposite parity states of octupole bands.

Magnetic ordering temperatures in rare earth metal dysprosium under ultrahigh pressures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.

Magnetic ordering temperatures in heavy rare earth metal Dysprosium (Dy) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to extreme conditions of pressure to 69 GPa and temperature to 10 K. Previous studies using magnetic susceptibility measurements at high pressures were only able to track magnetic ordering temperature till 7 GPa in the hexagonal close packed ( hcp) phase of Dy. Our studies indicate that the magnetic ordering temperature shows an abrupt drop of 80 K at the hcp-Sm phase transition followed by a gradual decrease that continues till 17 GPa. Thismore » is followed by a rapid increase in the magnetic ordering temperatures in the double hexagonal close packed phase and finally leveling off in the distorted face centered cubic phase of Dy. Lastly, our studies reaffirm that 4f-shell remain localized in Dy and there is no loss of magnetic moment or 4f-shell delocalization for pressures up to 69 GPa.« less

A top-down approach for fabricating three-dimensional closed hollow nanostructures with permeable thin metal walls.

PubMed

Barrios, Carlos Angulo; Canalejas-Tejero, Víctor

2017-01-01

We report on a top-down method for the controlled fabrication of three-dimensional (3D), closed, thin-shelled, hollow nanostructures (nanocages) on planar supports. The presented approach is based on conventional microelectronic fabrication processes and exploits the permeability of thin metal films to hollow-out polymer-filled metal nanocages through an oxygen-plasma process. The technique is used for fabricating arrays of cylindrical nanocages made of thin Al shells on silicon substrates. This hollow metal configuration features optical resonance as revealed by spectral reflectance measurements and numerical simulations. The fabricated nanocages were demonstrated as a refractometric sensor with a measured bulk sensitivity of 327 nm/refractive index unit (RIU). The pattern design flexibility and controllability offered by top-down nanofabrication techniques opens the door to the possibility of massive integration of these hollow 3D nano-objects on a chip for applications such as nanocontainers, nanoreactors, nanofluidics, nano-biosensors and photonic devices.

Magnetic ordering temperatures in rare earth metal dysprosium under ultrahigh pressures

DOE PAGES

Samudrala, Gopi K.; Tsoi, Georgiy M.; Weir, Samuel T.; ...

2014-04-03

Magnetic ordering temperatures in heavy rare earth metal Dysprosium (Dy) have been studied using an ultrasensitive electrical transport measurement technique in a designer diamond anvil cell to extreme conditions of pressure to 69 GPa and temperature to 10 K. Previous studies using magnetic susceptibility measurements at high pressures were only able to track magnetic ordering temperature till 7 GPa in the hexagonal close packed ( hcp) phase of Dy. Our studies indicate that the magnetic ordering temperature shows an abrupt drop of 80 K at the hcp-Sm phase transition followed by a gradual decrease that continues till 17 GPa. Thismore » is followed by a rapid increase in the magnetic ordering temperatures in the double hexagonal close packed phase and finally leveling off in the distorted face centered cubic phase of Dy. Lastly, our studies reaffirm that 4f-shell remain localized in Dy and there is no loss of magnetic moment or 4f-shell delocalization for pressures up to 69 GPa.« less

Servo Driven Corotation: Development of AN Inertial Clock.

NASA Astrophysics Data System (ADS)

Cheung, Wah-Kwan Stephen

An inertial clock to test non-metricity of gravity is proposed here. A first, room-temperature, servo corotation -protected, double magnetically suspended precision rotor system is developed for this purpose. The specific goal was to exhibit the properties of such a clock in its entirety at whatever level of precision was achievable. A monolithic system has been completed for these preliminary studies. It includes particular development of individual experimental sub-systems (a hybrid double magnetic suspension; a diffusion pumping system; a microcomputer -controlled eddy-current drive system; and the angular period measuring schemes for the doubly suspended rotors). Double magnetic suspension had been investigated by Beams for other purposes. The upper transducer is optical but parametrized and the lower transducer employs the frequency modulation characteristic of a LC tank circuit. The doubly suspended rotors corotate so that the upper rotor is servoed to rotate at the same angular velocity as that of the lower rotor. This creates a "drag free" environment for the lower rotor and effectively eliminates the gas drag on the lower rotor. Consequently, the decay time constant of the lower rotor increases. With other means of protection, the lower rotor will then, with perfect system operation, suffer no drag and therefore become the inertial time keeper. A commercial microcomputer is introduced to execute the servo-corotation. The tests thus far are, with one exception, run at atmospheric pressure. An idealized analysis for open and closed loop corotation is shown. Such analysis includes only the viscous drag acting on the corotating rotors. The analysis suggests that angular position control be added to the present feedback drive which is of derivative nature only. Open and closed corotation runs show that a strong torsional coupling besides that of the gas drag exists between the rotors. When misalignment of the support pole pieces is deliberately made significant, a stronger coupling between the rotors results. The coupling is suspected to be magnetic in nature. The complicated geometry of the double magnetic suspension scheme makes it difficult to evaluate the known mechanical cranking effect applied to this situation.

Direct mapping between exchange potentials of Hartree-Fock and Kohn-Sham schemes as origin of orbital proximity

NASA Astrophysics Data System (ADS)

Cinal, M.

2010-01-01

It is found that for closed-l-shell atoms, the exact local exchange potential vx(r) calculated in the exchange-only Kohn-Sham (KS) scheme of the density functional theory (DFT) is very well represented within the region of every atomic shell by each of the suitably shifted potentials obtained with the nonlocal Fock exchange operator for the individual Hartree-Fock (HF) orbitals belonging to this shell. This newly revealed property is not related to the well-known steplike shell structure in the response part of vx(r), but it results from specific relations satisfied by the HF orbital exchange potentials. These relations explain the outstanding proximity of the occupied HF and exchange-only KS orbitals as well as the high quality of the Krieger-Li-Iafrate and localized HF (or, equivalently, common-energy-denominator) approximations to the DFT exchange potential vx(r). Another highly accurate representation of vx(r) is given by the continuous piecewise function built of shell-specific exchange potentials, each defined as the weighted average of the shifted orbital exchange potentials corresponding to a given shell. The constant shifts added to the HF orbital exchange potentials, to map them onto vx(r), are nearly equal to the differences between the energies of the corresponding KS and HF orbitals. It is discussed why these differences are positive and grow when the respective orbital energies become lower for inner orbitals.

Ambient Stable Radical Cations, Diradicaloid π-Dimeric Dications, Closed-Shell Dications, and Diradical Dications of Methylthio-Capped Rylenes.

PubMed

Qi, Qingbiao; Burrezo, Paula Mayorga; Phan, Hoa; Herng, Tun Seng; Gopalakrishna, Tullimilli Y; Zeng, Wangdong; Ding, Jun; Casado, Juan; Wu, Jishan

2017-06-01

Radical cations and dications of π-conjugated systems play vital roles in organic electronic devices, organic conductors, and conducting polymers. Their structures, charge and spin distribution, and mechanism of charge transport are of great interest. In this article, radical cations and dications of a series of newly synthesized methylthio-capped rylenes were synthesized and isolated. Their ground-state structures, physical properties, and solid-state packing were systematically investigated by various experimental methods, such as X-ray crystallographic analysis, UV/Vis/NIR absorption spectroscopy, (spectro-)electrochemistry, nuclear magnetic resonance spectroscopy, electron spin resonance spectroscopy, superconducting quantum interference device, and Raman spectroscopy, assisted by DFT calculations. It was found that all the charged species show an exceptional stability under ambient air and light conditions due to the efficient spin and charge delocalization over the whole rylene backbone. The dication of hexarylene turned out to have an unusual open-shell singlet rather than closed-shell ground state, thus it can be described as a diradical dication. Dimerization was observed for the radical cations and even the dications in crystals due to the strong intermolecular antiferromagnetic spin-spin interaction and π-π interaction, which result in unique magnetic properties. Such intermolecular association was also observed in solution. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The origin of the two-electron/four-centers C--C bond in pi-TCNE(2)2- dimers: electrostatic or dispersion?

PubMed

García-Yoldi, Iñigo; Mota, Fernando; Novoa, Juan J

2007-01-15

The structure and stability of the pi-TCNE(2)2- dimers in K2TCNE2 aggregates is revisited trying to find if the origin of their two-electron/four-centers C--C bond are the electrostatic K+-TCNE- interactions or the dispersion interactions between the anions. The study is done at the HF, B3LYP, CASSCF (2,2), and MCQDPT/CASSCF (2,2) levels using the 6-31+G(d) basis set. Our results show that the only minima of this aggregate that preserves the pi-TCNE(2)2- structure has the two K+ atoms placed in equatorial positions in between the two TCNE- planes. When the K+ atoms are placed along the D2h axis of the anions the structure is not a minimum. The main energetic component responsible for the stability of these aggregates comes from the cation-anion interactions. However, a proper accounting of the dispersion component (as done in the MCQDPT/CASSCF (2,2) calculations) is needed to make the closed-shell singlet more stable than the open-shell singlet. Thus, the bond results from the combination of the electrostatic and dispersion components, being the first the dominant one. The optimum geometry of the closed-shell singlet is very similar to the experimental one found in crystals. Copyright (c) 2006 Wiley Periodicals, Inc.

Growth, Survival and Reproduction of the Giant Clam Tridacna maxima (Röding 1798, Bivalvia) in Two Contrasting Lagoons in French Polynesia

PubMed Central

Van Wynsberge, Simon; Andréfouët, Serge; Gaertner-Mazouni, Nabila; Wabnitz, Colette C. C.; Menoud, Mathilde; Le Moullac, Gilles; Levy, Peva; Gilbert, Antoine; Remoissenet, Georges

2017-01-01

Shell growth, reproduction, and natural mortality of the giant clam Tridacna maxima were characterized over a two-year-period in the lagoon of the high island of Tubuai (Austral Archipelago) and in the semi-closed lagoon of Tatakoto (Tuamotu Archipelago) in French Polynesia. We also recorded temperature, water level, tidal slope, tidal range, and mean wave height in both lagoons. Lower lagoon aperture and exposure to oceanic swells at Tatakoto than at Tubuai was responsible for lower lagoon water renewal, as well as higher variability in temperature and water level at Tatakoto across the studied period. These different environmental conditions had an impact on giant clams. Firstly, spawning events in the lagoon of Tatakoto, detected by gonad maturity indices in June and July 2014, were timed with high oceanic water inflow and a decrease in lagoon water temperature. Secondly, temperature explained differences in shell growth rates between seasons and lagoons, generating different growth curves for the two sites. Thirdly, local mortality rates were also found to likely be related to water renewal patterns. In conclusion, our study suggests that reef aperture and lagoon water renewal rates play an integral role in giant clam life history, with significant differences in rates of shell growth, mortality and fertility found between open versus semi-closed atoll lagoons in coral reef ecosystems. PMID:28118406

Interstellar PAH Emission in the 11-14 micron Region: New Insights and a Tracer of Ionized PAHs

NASA Technical Reports Server (NTRS)

Hudgins, Douglas M.; Allamandola, Louis J.; Mead, Susan (Technical Monitor)

1999-01-01

The Ames infrared spectral database of isolated, neutral and ionized polycyclic aromatic hydrocarbons (PAHs) shows that aromatic CH out-of-plane bending frequencies are significantly shifted upon ionization. For non-adjacent and doubly-adjacent CH groups, the shift is pronounced and consistently toward higher frequencies. The non-adjacent modes are blueshifted by an average of 27 per cm and the doubly-adjacent modes by an average of 17 per cm. For triply- and quadruply-adjacent CH out-of-plane modes the ionization shifts are more erratic and typically more modest. As a result of these ionization shifts, both the non-adjacent and doubly-adjacent CH out-of-plane modes move out of the regions classically associated with their respective vibrations in neutral PAHs. The doubly-adjacent modes of ionized PAHs tend to fall into the frequency range traditionally associated with the non-adjacent modes, while the non-adjacent modes are shifted to frequencies above those normally attributed to out-of-plane bending vibrations. Consequently, the origin of the interstellar infrared emission feature near 11.2 microns, traditionally attributed to the out-of-plane bending of non-adjacent CH groups on PAHs is rendered ambiguous. Instead, this feature likely reflects contributions from both non-adjacent CH units in neutral PAHs and doubly-adjacent CH units in PAH cations, the dominant charge state in the most energetic emission regions. This greatly relieves the structural constraints placed on the interstellar PAH population by the dominance of the 11.2 micron band in this region and eliminates the necessity to invoke extensive dehydrogenation of the emitting species. Furthermore, these results indicate that the emission between 926 and 904 per cm (10.8 and 11.1 microns) observed in many sources can be unambiguously attributed to the non-adjacent CH out-of-plane bending modes of moderately-sized (fewer than 50 carbon atom) PAH cations making this emission an unequivocal tracer of ionized interstellar PAHs.

Mixed finite-difference scheme for free vibration analysis of noncircular cylinders

NASA Technical Reports Server (NTRS)

Noor, A. K.; Stephens, W. B.

1973-01-01

A mixed finite-difference scheme is presented for the free-vibration analysis of simply supported closed noncircular cylindrical shells. The problem is formulated in terms of eight first-order differential equations in the circumferential coordinate which possess a symmetric coefficient matrix and are free of the derivatives of the elastic and geometric characteristics of the shell. In the finite-difference discretization, two interlacing grids are used for the different fundamental unknowns in such a way as to avoid averaging in the difference-quotient expressions used for the first derivative. The resulting finite-difference equations are symmetric. The inverse-power method is used for obtaining the eigenvalues and eigenvectors.

Chemical route for formation of intermetallic Zn 4Sb 3 phase

NASA Astrophysics Data System (ADS)

Denoix, A.; Solaiappan, A.; Ayral, R. M.; Rouessac, F.; Tedenac, J. C.

2010-05-01

Synthesis of intermetallic zinc antimonide phases via low temperature solution route was investigated. Trial experiments were carried out under inert atmosphere at 70 °C using metallic Zn, SbCl 3 and NaBH 4 as reactants and tetrahydrofuran (THF), dimethylsulfoxide (DMSO) as organic media. Powder X-ray analysis confirmed the nucleation and growth of ZnSb phases in presence of excess Zn. SEM analysis revealed the existence of core-shell structure comprising of Zn core and Sb shell. Such particles get transformed into Zn 4Sb 3 crystalline phases upon thermal treatment at 300 °C/6 h in a silica tube closed under high secondary vacuum.

Tunneling current spectroscopy of a nanostructure junction involving multiple energy levels.

PubMed

Kuo, David M-T; Chang, Yia-Chung

2007-08-24

A multilevel Anderson model is employed to simulate the system of a nanostructure tunnel junction with any number of one-particle energy levels. The tunneling current, including both shell-tunneling and shell-filling cases, is theoretically investigated via the nonequilibrium Green's function method. We obtain a closed form for the spectral function, which is used to analyze the complicated tunneling current spectra of a quantum dot or molecule embedded in a double-barrier junction. We also show that negative differential conductance can be observed in a quantum dot tunnel junction when the Coulomb interactions with neighboring quantum dots are taken into account.

Classrooms Offer Quiet Academic Environment

ERIC Educational Resources Information Center

Garbrecht, Marilyn

1977-01-01

A building shell at Southern Illinois University has partitions that can be repositioned to suit changing needs. Silencing, heating, and cooling equipment received close attention to eliminate noise. The University of Minnesota has a new underground building housing a bookstore and offices that does not require heating. (Author/MLF)

Some New Problems on Shells and Thin Structures

NASA Technical Reports Server (NTRS)

Vlasov, V. S.

1949-01-01

Cylindrical shells of arbitrary section, reinforced by longitudinal and transverse members (stringers and ribs) are considered by us, for a sufficiently close spacing of the ribs, as in our previously published papers (references 1 end 2), as thin-walled orthotropic spatial systems at the cross-sections of which only axial (normal and shearing) forces can arise. The longitudinal bending and twisting moments, due to their weak effect on the stress state of the shell, are taken equal to zero. Along the longitudinal sections of the shell there may arise transverse forces in addition to the normal d shearing forces. Under the so-called static assumptions there is taken for the computation model of the shell a thin-walled spatial system consisting along its length (along a generator) of an infinite number of elementary strips capable of bending. Each of these strips is likened to a curved rod operating in each of its sections not only in tension (compression)but also in transverse bending and shear. The interaction between two adjoining transverse strips in the shell expresses itself in the transmission from one strip to the other of only the normal and shearing stresses. The static structure of the computation model here described is shown in figure 1, where the connections through which the normal and shearing stresses transmitted from one transverse strip to smother are indicated schematically by the rods located in the middle surface of the shell. In addition to the static hypothesis we introduce also geometric hypotheses. According to the latter the elongational deformations of the shell along lines parallel to the generator of its middle surface and the shear deformations in the middle surface, as ma+gitudes having . little effect on the state of the fundamental internal forces of the shell, are taken equal to zero. The deformations of the shell in our computational model are such that in the first place the lines of this surface perpendicular to the generator are inextensible at each point end in the second place the angles between the lines of principal curvature (the coordinate lines) which are straight before the deformation remain straight after the deformation.

Three & Four Product Surface-Wave Acousto-Optic Time Integrating Correlators.

DTIC Science & Technology

four product correlated signals. A laser beam is split and shaped into first and second sheet beams. The first beam is directed to a first acousto - optic medium...where it is doubly diffracted by first and second signals. The second beam is directed to a second acousto - optic medium which is spatially...rotated 90 degs relative to the first acousto - optic medium where the second sheet beam is either singly diffracted by a third signal or doubly diffracted

Isolation of homoleptic platinum oxyanionic complexes with doubly protonated diazacrown cation

NASA Astrophysics Data System (ADS)

Vasilchenko, Danila; Tkachev, Sergey; Baidina, Iraida; Romanenko, Galina; Korenev, Sergey

2017-02-01

Doubly protonated diazacrown ether cation (1,4,10,13-tetraoxa-7,16-diazoniacyclooctadecane DCH22+) was used for the efficient isolation of the homoleptic platinum complexes [Pt(NO3)6]2- and [Pt(C2O4)2]2- to crystalline solid phases from solutions containing mixtures of related platinum complexes. DCH22+ molecules in nitric acid solution were shown to prevent the condensation of mononuclear [Pt(H2O)n(NO3)6-n]n-2 species.

Vortex motion in doubly connected domains

NASA Astrophysics Data System (ADS)

Zannetti, L.; Gallizio, F.; Ottino, G. M.

The unsteady two-dimensional rotational flow past doubly connected domains is analytically addressed. By concentrating the vorticity in point vortices, the flow is modelled as a potential flow with point singularities. The dependence of the complex potential on time is defined according to the Kelvin theorem. The general case of non-null circulations around the solid bodies is discussed. Vortex shedding and time evolution of the circulation past a two-element airfoil and past a two-bladed Darrieus turbine are presented as physically coherent examples.

Integration of collinear-type doubly unresolved counterterms in NNLO jet cross sections

NASA Astrophysics Data System (ADS)

Del Duca, Vittorio; Somogyi, Gábor; Trócsányi, Zoltán

2013-06-01

In the context of a subtraction method for jet cross sections at NNLO accuracy in the strong coupling, we perform the integration over the two-particle factorised phase space of the collinear-type contributions to the doubly unresolved counterterms. We present the final result as a convolution in colour space of the Born cross section and of an insertion operator, which is written in terms of master integrals that we expand in the dimensional regularisation parameter.

A subtraction scheme for computing QCD jet cross sections at NNLO: integrating the doubly unresolved subtraction terms

NASA Astrophysics Data System (ADS)

Somogyi, Gábor

2013-04-01

We finish the definition of a subtraction scheme for computing NNLO corrections to QCD jet cross sections. In particular, we perform the integration of the soft-type contributions to the doubly unresolved counterterms via the method of Mellin-Barnes representations. With these final ingredients in place, the definition of the scheme is complete and the computation of fully differential rates for electron-positron annihilation into two and three jets at NNLO accuracy becomes feasible.

Improvement of the physical properties of ZnO/CdTe core-shell nanowire arrays by CdCl2 heat treatment for solar cells

PubMed Central

2014-01-01

CdTe is an important compound semiconductor for solar cells, and its use in nanowire-based heterostructures may become a critical requirement, owing to the potential scarcity of tellurium. The effects of the CdCl2 heat treatment are investigated on the physical properties of vertically aligned ZnO/CdTe core-shell nanowire arrays grown by combining chemical bath deposition with close space sublimation. It is found that recrystallization phenomena are induced by the CdCl2 heat treatment in the CdTe shell composed of nanograins: its crystallinity is improved while grain growth and texture randomization occur. The presence of a tellurium crystalline phase that may decorate grain boundaries is also revealed. The CdCl2 heat treatment further favors the chlorine doping of the CdTe shell with the formation of chlorine A-centers and can result in the passivation of grain boundaries. The absorption properties of ZnO/CdTe core-shell nanowire arrays are highly efficient, and more than 80% of the incident light can be absorbed in the spectral range of the solar irradiance. The resulting photovoltaic properties of solar cells made from ZnO/CdTe core-shell nanowire arrays covered with CuSCN/Au back-side contact are also improved after the CdCl2 heat treatment. However, recombination and trap phenomena are expected to operate, and the collection of the holes that are mainly photo-generated in the CdTe shell from the CuSCN/Au back-side contact is presumably identified as the main critical point in these solar cells. PMID:24910576

Photoelastic investigations of stress concentration in perforated cylindrical shells with internal pressure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dranchenko, B.N.; Portnov, B.B.; Seleznev, A.V.

1994-06-01

Cylindrical shells with regular perforation are widely used in power generating equipment and in particular in collectors 1 of the circuit of steam generators of power generating installations with water-water reactors (WWPR) The state of stress of collectors is determined by a broad spectrum of technological and operational loads, it is therefore difficult to analyze it theoretically. The aim of the present work is the experimental investigation of stresses in the cylindrical shells of collectors subjected to internal pressure, the generalization and systematization of empirical data in the form of engineering formulas and nomographs. The investigations were carried out withmore » photoelastic three-dimensional models with the use of {open_quotes}freezing{close_quotes}. The basic characteristics of the state of stress of perforated shells (in particular those used in calculations of the strength and life of collectors) are the values of the stress intensity factor K and of the stress intensification factor {gamma}{sub {bar {sigma}}}{sub me} of the mean integral stress level in the neck between neighboring holes. The presented data make it possible to establish quantitatively the regularities of change of K and {gamma}{sub {bar {sigma}}}{sub me} in dependence on the geometry of the perforated shells. These data were systematized according to a special program of multifactor regression analysis. It follows from the presented formulas and nomographs in particular that in the ranges of the geometry of the perforated shells K may change from 2.5 to 4.0, and {gamma}{sub {bar {sigma}}}{sub me} from 1.1 to 2.3. Therefore varied geometric parameters have a substantial effect on the load intensity of perforated shells, and that once again confirms how topical it is to obtain new experimental data, to generalize and systematize them.« less

Multiscale structure and damage tolerance of coconut shells.

PubMed

Gludovatz, B; Walsh, F; Zimmermann, E A; Naleway, S E; Ritchie, R O; Kruzic, J J

2017-12-01

We investigated the endocarp of the fruit of Cocos nucifera (i.e., the inner coconut shell), examining the structure across multiple length scales through advanced characterization techniques and in situ testing of mechanical properties. Like many biological materials, the coconut shell possesses a hierarchical structure with distinct features at different length scales that depend on orientation and age. Aged coconut was found to have a significantly stronger (ultimate tensile strength, UTS = 48.5MPa), stiffer (Young's modulus, E = 1.92GPa), and tougher (fracture resistance (R-curve) peak of K J = 3.2MPa m 1/2 ) endocarp than the younger fruit for loading in the latitudinal orientation. While the mechanical properties of coconut shell were observed to improve with age, they also become more anisotropic: the young coconut shell had the same strength (17MPa) and modulus (0.64GPa) values and similar R-curves for both longitudinal and latitudinal loading configurations, whereas the old coconut had 82% higher strength for loading in the latitudinal orientation, and >50% higher crack growth toughness for cracking on the latitudinal plane. Structural aspects affecting the mechanical properties across multiple length scales with aging were identified as improved load transfer to the cellulose crystalline nanostructure (identified by synchrotron x-ray diffraction) and sclerification of the endocarp, the latter of which included closing of the cell lumens and lignification of the cell walls. The structural changes gave a denser and mechanically superior micro and nanostructure to the old coconut shell. Additionally, the development of anisotropy was attributed to the formation of an anisotropic open channel structure throughout the shell of the old coconut that affected both crack initiation during uniaxial tensile tests and the toughening mechanisms of crack trapping and deflection during crack propagation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Polarization and charge transfer in the hydration of chloride ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao Zhen; Rogers, David M.; Beck, Thomas L.

2010-01-07

A theoretical study of the structural and electronic properties of the chloride ion and water molecules in the first hydration shell is presented. The calculations are performed on an ensemble of configurations obtained from molecular dynamics simulations of a single chloride ion in bulk water. The simulations utilize the polarizable AMOEBA force field for trajectory generation and MP2-level calculations are performed to examine the electronic structure properties of the ions and surrounding waters in the external field of more distant waters. The ChelpG method is employed to explore the effective charges and dipoles on the chloride ions and first-shell waters.more » The quantum theory of atoms in molecules (QTAIM) is further utilized to examine charge transfer from the anion to surrounding water molecules. The clusters extracted from the AMOEBA simulations exhibit high probabilities of anisotropic solvation for chloride ions in bulk water. From the QTAIM analysis, 0.2 elementary charges are transferred from the ion to the first-shell water molecules. The default AMOEBA model overestimates the average dipole moment magnitude of the ion compared to the quantum mechanical value. The average magnitude of the dipole moment of the water molecules in the first shell treated at the MP2-level, with the more distant waters handled with an AMOEBA effective charge model, is 2.67 D. This value is close to the AMOEBA result for first-shell waters (2.72 D) and is slightly reduced from the bulk AMOEBA value (2.78 D). The magnitude of the dipole moment of the water molecules in the first solvation shell is most strongly affected by the local water-water interactions and hydrogen bonds with the second solvation shell, rather than by interactions with the ion.« less

Low-energy electron scattering from atomic hydrogen. I. Ionization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Childers, J.G.; James, K.E. Jr.; Bray, Igor

2004-02-01

Absolute doubly differential cross sections for the ionization of atomic hydrogen by electron impact have been measured at energies ranging from near threshold to intermediate values. The measurements are normalized to the accurate differential cross section for the electron-impact excitation of the H 1 {sup 2}S{yields}2 {sup 2}S+2 {sup 2}P transition. These measurements were made possible through the use of a moveable target source which enables the collection of hydrogen energy loss spectra free of all backgrounds. The measurements cover the incident electron energy range of 14.6-40 eV and scattering angles from 12 deg. to 127 deg., and are inmore » very good agreement with the results of the latest theoretical models--the convergent close-coupling model and the exterior complex scaling model.« less

Statistical inference based on the nonparametric maximum likelihood estimator under double-truncation.

PubMed

Emura, Takeshi; Konno, Yoshihiko; Michimae, Hirofumi

2015-07-01

Doubly truncated data consist of samples whose observed values fall between the right- and left- truncation limits. With such samples, the distribution function of interest is estimated using the nonparametric maximum likelihood estimator (NPMLE) that is obtained through a self-consistency algorithm. Owing to the complicated asymptotic distribution of the NPMLE, the bootstrap method has been suggested for statistical inference. This paper proposes a closed-form estimator for the asymptotic covariance function of the NPMLE, which is computationally attractive alternative to bootstrapping. Furthermore, we develop various statistical inference procedures, such as confidence interval, goodness-of-fit tests, and confidence bands to demonstrate the usefulness of the proposed covariance estimator. Simulations are performed to compare the proposed method with both the bootstrap and jackknife methods. The methods are illustrated using the childhood cancer dataset.

A Solomon link through an interwoven molecular grid.

PubMed

Beves, Jonathon E; Danon, Jonathan J; Leigh, David A; Lemonnier, Jean-François; Vitorica-Yrezabal, Iñigo J

2015-06-22

A molecular Solomon link was synthesized through the assembly of an interwoven molecular grid consisting of four bis(benzimidazolepyridyl)benzthiazolo[5,4-d]thiazole ligands and four zinc(II), iron(II), or cobalt(II) cations, followed by ring-closing olefin metathesis. NMR spectroscopy, mass spectrometry, and X-ray crystallography confirmed the doubly interlocked topology, and subsequent demetalation afforded the wholly organic Solomon link. The synthesis, in which each metal ion defines the crossing point of two ligand strands, suggests that interwoven molecular grids should be useful scaffolds for the rational construction of other topologically complex structures. © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

Bending and Force Recovery in Polymer Films and Microgel Formation

NASA Astrophysics Data System (ADS)

Elder, Theresa Marie

To determine correlation between geometry and material three different model films: polymethylsiloxane (PDMS), polystyrene (PS), and polycarbonate (PC), were singly bent and doubly bent (forming D-cones). Bends were chosen as they are fundamental in larger complex geometries such as origami and crumples. Bending was carried out between two plates taking force and displacement measurements. Processing of data using moment equations yielded values for bending moduli for studied films that were close to accepted values. Force recovery showed logarithmic trends for PDMS and stretched exponential trends for PS and PC. In a separate experiment a triblock copolymer of polystyrene-polyacrylic acid-polystyrene was subjected to different good and bad solvent mixing with any resulting particle morphology examined. Particles formed more uniformly with high water concentration, particles formed with high toluene concentration and agitation yielded three separate morphologies.

Piezoelectrically forced vibrations of electroded doubly rotated quartz plates by state space method

NASA Technical Reports Server (NTRS)

Chander, R.

1990-01-01

The purpose of this investigation is to develop an analytical method to study the vibration characteristics of piezoelectrically forced quartz plates. The procedure can be summarized as follows. The three dimensional governing equations of piezoelectricity, the constitutive equations and the strain-displacement relationships are used in deriving the final equations. For this purpose, a state vector consisting of stresses and displacements are chosen and the above equations are manipulated to obtain the projection of the derivative of the state vector with respect to the thickness coordinate on to the state vector itself. The solution to the state vector at any plane is then easily obtained in a closed form in terms of the state vector quantities at a reference plane. To simplify the analysis, simple thickness mode and plane strain approximations are used.

Universal Faraday Rotation in HgTe Wells with Critical Thickness.

PubMed

Shuvaev, A; Dziom, V; Kvon, Z D; Mikhailov, N N; Pimenov, A

2016-09-09

The universal value of the Faraday rotation angle close to the fine structure constant (α≈1/137) is experimentally observed in thin HgTe quantum wells with a thickness on the border between trivial insulating and the topologically nontrivial Dirac phases. The quantized value of the Faraday angle remains robust in the broad range of magnetic fields and gate voltages. Dynamic Hall conductivity of the holelike carriers extracted from the analysis of the transmission data shows a theoretically predicted universal value of σ_{xy}=e^{2}/h, which is consistent with the doubly degenerate Dirac state. On shifting the Fermi level by the gate voltage, the effective sign of the charge carriers changes from positive (holes) to negative (electrons). The electronlike part of the dynamic response does not show quantum plateaus and is well described within the classical Drude model.

A note on closed-string interactions a la witten

NASA Astrophysics Data System (ADS)

Romans, L. J.

1987-08-01

We consider the problem of formulating a field theory of interacting closed strings analogous to Witten's open-string field theory. Two natural candidates have been suggested for an off-shell three-string interaction vertex: one scheme involves a cyclic geometric overlap in spacetime, while the other is obtained by ``stuttering'' the Fock-space realization of the open-string vertex. We demonstrate that these two approaches are in fact equivalent, utilizing the operator formalism as developed to describe Witten's theory. Implications of this result for the construction of closed-string theories are briefly discussed. Address after August 1, 1987: Department of Physics, University of Southern California, Los Angeles, CA 90089, USA.

Analysis of delamination related fracture processes in composites

NASA Technical Reports Server (NTRS)

Armanios, Erian A.

1992-01-01

An anisotropic thin walled closed section beam theory was developed based on an asymptotical analysis of the shell energy functional. The displacement field is not assumed a priori and emerges as a result of the analysis. In addition to the classical out-of-plane torsional warping, two new contributions are identified namely, axial strain and bending warping. A comparison of the derived governing equations confirms the theory developed by Reissner and Tsai. Also, explicit closed form expressions for the beam stiffness coefficients, the stress and displacement fields are provided. The predictions of the present theory were validated by comparison with finite element simulation, other closed form analyses and test data.

Energy expenditure in space flight (doubly labelled water method) (8-IML-1)

NASA Technical Reports Server (NTRS)

Parsons, Howard G.

1992-01-01

The objective of the Energy Expenditure in Space Flight (ESS) experiment is to demonstrate and evaluate the doubly labeled water method of measuring the energy expended by crew members during approximately 7 days in microgravity. The doubly labeled water technique determines carbon dioxide production which is then used to calculate energy expenditure. The method relies on the equilibrium between oxygen in respiratory carbon dioxide and oxygen in body water. Because of this equilibrium, the kinetic of water turnover and respiration are interdependent. Under normal conditions, man contains small but significant amounts of deuterium and oxygen 18. Deuterium is eliminated from the body as water while oxygen 18 is eliminated as water and carbon dioxide. The difference in the turnover rates in the two isotopes is proportional to the carbon dioxide production. Deliberately enriching the total body water with both of these isotopes allows the isotope turnovers to be accurately measured in urine, plasma, or saliva samples. The samples are taken to the laboratory for analysis using an ion-ratio spectrometer.

Determination of energy expenditure during heavy exercise, normal daily activity, and sleep using the doubly-labelled-water (/sup 2/H/sub 2/ 18O) method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stein, T.P.; Hoyt, R.W.; Settle, R.G.

1987-03-01

Energy expenditure of four subjects was measured by the doubly-labelled-water (/sup 2/H/sub 2/ 18O) method to determine if energy expenditure could be determined over short periods. Three subjects were studied while they performed 8 h of heavy exercise in a laboratory environment. Urine and blood samples were taken before and after exercise. Estimated energy expended during 8 h of high-intensity exercise for three subjects was 757 +/- 118 kcal/h by the doubly-labelled-water method using urine and a two-point calculation, which compared favorably with 735 +/- 82 kcal/h obtained by respiratory gas exchange. For the fourth subject, daytime, nighttime, and dailymore » energy expenditure was calculated by both the two-pair method and decay-curve analysis of urine and saliva samples collected in the morning and at night. Daytime and nighttime energy expenditures differed significantly (p less than 0.05).« less

A Study on Segmented Multiple-Step Forming of Doubly Curved Thick Plate by Reconfigurable Multi-Punch Dies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ko, Young Ho; Han, Myoung Soo; Han, Jong Man

2007-05-17

Doubly curved thick plate forming in shipbuilding industries is currently performed by a thermal forming process, called as Line Heating by using gas flame torches. Due to the empirical manual work of it, the industries are eager for an alternative way to manufacture curved thick plates for ships. It was envisaged in this study to manufacture doubly curved thick plates by the multi-punch die forming. Experiments and finite element analyses were conducted to evaluate the feasibility of the reconfigurable discrete die forming to the thick plates. Single and segmented multiple step forming procedures were considered from both forming efficiency andmore » accuracy. Configuration of the multi-punch dies suitable for the segmented multiple step forming was also explored. As a result, Segmented multiple step forming with matched dies had a limited formability when the objective shapes become complicate, while a unmatched die configuration provided better possibility to manufacture large curved plates for ships.« less

Analysis of cylindrical wrap-around and doubly conformal patch antennas by way of the finite element-artificial absorber method

NASA Technical Reports Server (NTRS)

Volakis, J. L.; Kempel, L. C.; Sliva, R.; Wang, H. T. G.; Woo, A. G.

1994-01-01

The goal of this project was to develop analysis codes for computing the scattering and radiation of antennas on cylindrically and doubly conformal platforms. The finite element-boundary integral (FE-BI) method has been shown to accurately model the scattering and radiation of cavity-backed patch antennas. Unfortunately extension of this rigorous technique to coated or doubly curved platforms is cumbersome and inefficient. An alternative approximate approach is to employ an absorbing boundary condition (ABC) for terminating the finite element mesh thus avoiding use of a Green's function. A FE-ABC method is used to calculate the radar cross section (RCS) and radiation pattern of a cavity-backed patch antenna which is recessed within a metallic surface. It is shown that this approach is accurate for RCS and antenna pattern calculations with an ABC surface displaced as little as 0.3 lambda from the cavity aperture. These patch antennas may have a dielectric overlay which may also be modeled with this technique.

Doubly robust estimation of generalized partial linear models for longitudinal data with dropouts.

PubMed

Lin, Huiming; Fu, Bo; Qin, Guoyou; Zhu, Zhongyi

2017-12-01

We develop a doubly robust estimation of generalized partial linear models for longitudinal data with dropouts. Our method extends the highly efficient aggregate unbiased estimating function approach proposed in Qu et al. (2010) to a doubly robust one in the sense that under missing at random (MAR), our estimator is consistent when either the linear conditional mean condition is satisfied or a model for the dropout process is correctly specified. We begin with a generalized linear model for the marginal mean, and then move forward to a generalized partial linear model, allowing for nonparametric covariate effect by using the regression spline smoothing approximation. We establish the asymptotic theory for the proposed method and use simulation studies to compare its finite sample performance with that of Qu's method, the complete-case generalized estimating equation (GEE) and the inverse-probability weighted GEE. The proposed method is finally illustrated using data from a longitudinal cohort study. © 2017, The International Biometric Society.

Modeling the carbon isotope composition of bivalve shells (Invited)

NASA Astrophysics Data System (ADS)

Romanek, C.

2010-12-01

The stable carbon isotope composition of bivalve shells is a valuable archive of paleobiological and paleoenvironmental information. Previous work has shown that the carbon isotope composition of the shell is related to the carbon isotope composition of dissolved inorganic carbon (DIC) in the ambient water in which a bivalve lives, as well as metabolic carbon derived from bivalve respiration. The contribution of metabolic carbon varies among organisms, but it is generally thought to be relatively low (e.g., <10%) in shells from aquatic organism and high (>90%) in the shells from terrestrial organisms. Because metabolic carbon contains significantly more C-12 than DIC, negative excursions from the expected environmental (DIC) signal are interpreted to reflect an increased contribution of metabolic carbon in the shell. This observation contrasts sharply with modeled carbon isotope compositions for shell layers deposited from the inner extrapallial fluid (EPF). Previous studies have shown that growth lines within the inner shell layer of bivalves are produced during periods of anaerobiosis when acidic metabolic byproducts (e.g., succinic acid) are neutralized (or buffered) by shell dissolution. This requires the pH of EPF to decrease below ambient levels (~7.5) until a state of undersaturation is achieved that promotes shell dissolution. This condition may occur when aquatic bivalves are subjected to external stressors originating from ecological (predation) or environmental (exposure to atm; low dissolved oxygen; contaminant release) pressures; normal physiological processes will restore the pH of EPF when the pressure is removed. As a consequence of this process, a temporal window should also exist in EPF at relatively low pH where shell carbonate is deposited at a reduced saturation state and precipitation rate. For example, EPF chemistry should remain slightly supersaturated with respect to aragonite given a drop of one pH unit (6.5), but under closed conditions, equilibrium carbon isotope fractionation relations dictate that shell carbonate should be preferentially enriched in C-13 by 3 to 5 per mill (from 30° to 0°C) compared to EPF at a pH of 7.5. Anomalous positive excursions are rarely, if ever, observed in shell carbonate and they have yet to be associated with growth cessation markers in bivalves. The most likely explanation for the lack of anomalous positive values is that the percentage of metabolic carbon increases in EPF when bivalves experience stressful condition. This influx of metabolic carbon is balanced to a measureable extent by the enhanced fractionation of carbon isotopes during shell deposition from EPF at relatively low pH. These two processes may be combined in a quantitative model to extract a historical record of metabolic activity from the carbon isotope profiles of bivalve shells.

78 FR 58518 - Notification of Proposed Production Activity; Benteler Automotive Corporation (Automotive...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-24

.... On its domestic sales, Benteler would be able to choose the duty rate during customs entry procedures...: Metal stampings (crash cans, reinforcement plates, flange plates); bumper beams; toe hooks; cross member shells; side tubes; steel blanks; brackets; gussets; closing plates; castings of aluminum; flat-rolled...

Assessing tissue colonization and egg contamination by Salmonella Oranienburg in laying hens

USDA-ARS?s Scientific Manuscript database

Transmission of Salmonella into table eggs could be via trans-ovarian (vertical) or trans-shell (horizontal) routes. CDC reported a multi state outbreak in the Midwest (2016) from consumption of eggs contaminated with Salmonella Oranienburg (SO), and this strain was closely related genetically to a ...

Observations on ichnology, taphonomy and epibiota in the freshwater realm

NASA Astrophysics Data System (ADS)

Lawfield, Andrew Martin William

Ichnology concerns the study of interactions between organisms and both soft and hard substrates. Actualistic observation of a modern day river channel molluscan assemblage including unionid and sphaeriid bivalves and gastropods within the Saint John River, Fredericton, New Brunswick, Canada reveals their production of almond shaped Lockeia like resting traces, together with varied, horizontally aligned furrowed, meandering, looping and spiral plan view locomotion/grazing traces. These traces occur within a shifting sand softground substrate. An emersion event associated with a low water level allowed collection of unionid samples, amongst which Elliptio complanata predominates, alongside Lampsilis radiata and Anodonta implicata. Detailed analysis of shell material, with methodologies including scanning electron microscopy (SEM) reveals microboring, various taphonomic signatures and the development of biofilm and extracellular polymeric substances (EPS). These are often associated with one another and their location closely influenced by the shell structure. Taphonomic decay of the shells was noted, with the external periostracum and prismatic aragonite layers decaying, particularly in the umbonal region. Physical puncturing and tearing penetrate the periostracum. Exposed regions of nacreous aragonite are smoothed by a combination of chemical interaction with the water column and physical abrasion from agitated silt and sand sediments. Surface pitting and circular to ovoid penetrations with morphologies comparable to Oichnus borings are noted and their formation is tentatively attributed to bacterial decay processes. In marine settings, the outer protective periostracum of molluscs often possesses physical and chemical defence mechanisms intended to inhibit the attachment of epibiota. Our observations suggest their absence from unionids, with final instar larval or pupal stage Trichoptera, including Goera, Neophylax and Helicopsyche selectively attached to regions of intact periostracum in preference to exposed aragonite on dead shells. In addition, live unionids can display thick growths of cyanobacterial or cyanophyte dominated microbial mat. Biofilm and extracellular polymeric substances, with bacterial, diatomaceous and filamentous components are also observed, often displaying a close association with both microboring and the shells conchiolin layers. Several styles of microboring are noted, with predominantly surficial and both simple tubular and complex network penetrative styles observed. Microborings may be attributed to cyanobacterial, cyanophyte and fungal activity.

Body size evolution of a shell-brooding cichlid fish from Lake Tanganyika.

PubMed

Takahashi, T; Ota, K

2016-12-01

The substrate-brooding cichlid fish Telmatochromis temporalis in Lake Tanganyika demonstrates a simple example of ecological speciation between normal and dwarf morphs through divergent natural selection on body size. The dwarf morph most likely evolved from the ancestral normal morph; therefore, elucidating the evolution of its small body size is a key to understanding this ecological speciation event. Previous studies suggest that the small body size of the dwarf morph is an adaptation to the use of empty snail shells as shelters (males) and spawning sites (females), but this idea has not been fully evaluated. Combining original and previously published information, this study compared likelihood values to determine the primary factor that would be responsible for regulating the body size of the dwarf morph. Male body size is most likely regulated by the ability to turn within shells, which may influence the predation avoidance of adult fish. Females are smaller than males, and their body size is most likely regulated by the ability to lay eggs in the small spaces within shells close to the shell apices where predation risk on eggs is lower. This study provides new evidence supporting the hypothesis that different natural selection factors affected body size of the different sexes of the dwarf morph, which has not been reported in other animal species. © 2016 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2016 European Society For Evolutionary Biology.

I-process Nucleosynthesis and Mass Retention Efficiency in He-shell Flash Evolution of Rapidly Accreting White Dwarfs

NASA Astrophysics Data System (ADS)

Denissenkov, Pavel A.; Herwig, Falk; Battino, Umberto; Ritter, Christian; Pignatari, Marco; Jones, Samuel; Paxton, Bill

2017-01-01

Based on stellar evolution simulations, we demonstrate that rapidly accreting white dwarfs (WDs) in close binary systems are an astrophysical site for the intermediate neutron-capture process. During recurrent and very strong He-shell flashes in the stable H-burning accretion regime H-rich material enters the He-shell flash convection zone. {}12{{C}}(p,γ ){}13{{N}} reactions release enough energy to potentially impact convection, and I process is activated through the {}13{{C}}{(α ,{{n}})}16{{O}} reaction. The H-ingestion flash may not cause a split of the convection zone as it was seen in simulations of He-shell flashes in post-AGB and low-Z asymptotic giant branch (AGB) stars. We estimate that for the production of first-peak heavy elements this site can be of similar importance for galactic chemical evolution as the s-process production by low-mass AGB stars. The He-shell flashes result in the expansion and, ultimately, ejection of the accreted and then I-process enriched material, via super-Eddington-luminosity winds or Roche-lobe overflow. The WD models do not retain any significant amount of the accreted mass, with a He retention efficiency of ≲ 10 % depending on mass and convective boundary mixing assumptions. This makes the evolutionary path of such systems to supernova Ia explosion highly unlikely.

A computer program for the geometrically nonlinear static and dynamic analysis of arbitrarily loaded shells of revolution, theory and users manual

NASA Technical Reports Server (NTRS)

Ball, R. E.

1972-01-01

A digital computer program known as SATANS (static and transient analysis, nonlinear, shells) for the geometrically nonlinear static and dynamic response of arbitrarily loaded shells of revolution is presented. Instructions for the preparation of the input data cards and other information necessary for the operation of the program are described in detail and two sample problems are included. The governing partial differential equations are based upon Sanders' nonlinear thin shell theory for the conditions of small strains and moderately small rotations. The governing equations are reduced to uncoupled sets of four linear, second order, partial differential equations in the meridional and time coordinates by expanding the dependent variables in a Fourier sine or cosine series in the circumferential coordinate and treating the nonlinear modal coupling terms as pseudo loads. The derivatives with respect to the meridional coordinate are approximated by central finite differences, and the displacement accelerations are approximated by the implicit Houbolt backward difference scheme with a constant time interval. The boundaries of the shell may be closed, free, fixed, or elastically restrained. The program is coded in the FORTRAN 4 language and is dimensioned to allow a maximum of 10 arbitrary Fourier harmonics and a maximum product of the total number of meridional stations and the total number of Fourier harmonics of 200. The program requires 155,000 bytes of core storage.

Electrostatics-driven shape transitions in soft shells.

PubMed

Jadhao, Vikram; Thomas, Creighton K; Olvera de la Cruz, Monica

2014-09-02

Manipulating the shape of nanoscale objects in a controllable fashion is at the heart of designing materials that act as building blocks for self-assembly or serve as targeted drug delivery carriers. Inducing shape deformations by controlling external parameters is also an important way of designing biomimetic membranes. In this paper, we demonstrate that electrostatics can be used as a tool to manipulate the shape of soft, closed membranes by tuning environmental conditions such as the electrolyte concentration in the medium. Using a molecular dynamics-based simulated annealing procedure, we investigate charged elastic shells that do not exchange material with their environment, such as elastic membranes formed in emulsions or synthetic nanocontainers. We find that by decreasing the salt concentration or increasing the total charge on the shell's surface, the spherical symmetry is broken, leading to the formation of ellipsoids, discs, and bowls. Shape changes are accompanied by a significant lowering of the electrostatic energy and a rise in the surface area of the shell. To substantiate our simulation findings, we show analytically that a uniformly charged disc has a lower Coulomb energy than a sphere of the same volume. Further, we test the robustness of our results by including the effects of charge renormalization in the analysis of the shape transitions and find the latter to be feasible for a wide range of shell volume fractions.

Development of Paper Products from Dried Sweetpotato Stems and Peanut Shells

NASA Technical Reports Server (NTRS)

McConnell, R.; Smith, R.; Jones, G.; Lu, J. Y.

1998-01-01

One of the goals of NASA's Advanced Life Support Program (ALS) for sustaining human life in space is to achieve a closed system in plant production and usage. That all inedible plant parts should be recycled or used in some way. A Tuskegee University team researching sweetpotato and peanut for ALS has developed paper products from dried sweet-potato stems and peanut shells. In this study, the sweet-potato stems and peanut shells were soaked separately in water for 48 hours. After 48 hours, researchers manually separated the pulp and the unusable parts. To form the paper, 160 g of pulp and water mixture was poured through a 15.1 cm (diameter) filtration funnel and the pulp was trapped on 15 cm (diameter) filter paper. The filter paper and pulp were dried in an air oven, and the filter paper was removed, An examination under a scanning electron microscope showed that the sweet-potato paper was composed of "fibers", whereas the peanut shell paper was composed of "blocks". Results of physical testing showed that the sweet-potato stem paper was stronger than the peanut shell paper. It is anticipated that there may be other uses of these products such as writing paper, bags and packaging material. Because of its biodegradability, it can be incorporated into the resource recycling system at the end of its use.

Sea shell diversity and rapidly evolving secretomes: insights into the evolution of biomineralization.

PubMed

Kocot, Kevin M; Aguilera, Felipe; McDougall, Carmel; Jackson, Daniel J; Degnan, Bernard M

2016-01-01

An external skeleton is an essential part of the body plan of many animals and is thought to be one of the key factors that enabled the great expansion in animal diversity and disparity during the Cambrian explosion. Molluscs are considered ideal to study the evolution of biomineralization because of their diversity of highly complex, robust and patterned shells. The molluscan shell forms externally at the interface of animal and environment, and involves controlled deposition of calcium carbonate within a framework of macromolecules that are secreted from the dorsal mantle epithelium. Despite its deep conservation within Mollusca, the mantle is capable of producing an incredible diversity of shell patterns, and macro- and micro-architectures. Here we review recent developments within the field of molluscan biomineralization, focusing on the genes expressed in the mantle that encode secreted proteins. The so-called mantle secretome appears to regulate shell deposition and patterning and in some cases becomes part of the shell matrix. Recent transcriptomic and proteomic studies have revealed marked differences in the mantle secretomes of even closely-related molluscs; these typically exceed expected differences based on characteristics of the external shell. All mantle secretomes surveyed to date include novel genes encoding lineage-restricted proteins and unique combinations of co-opted ancient genes. A surprisingly large proportion of both ancient and novel secreted proteins containing simple repetitive motifs or domains that are often modular in construction. These repetitive low complexity domains (RLCDs) appear to further promote the evolvability of the mantle secretome, resulting in domain shuffling, expansion and loss. RLCD families further evolve via slippage and other mechanisms associated with repetitive sequences. As analogous types of secreted proteins are expressed in biomineralizing tissues in other animals, insights into the evolution of the genes underlying molluscan shell formation may be applied more broadly to understanding the evolution of metazoan biomineralization.

Influence of dimensionality and interface type on optical and electronic properties of CdS/ZnS core-shell nanocrystals—A first-principles study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kocevski, V., E-mail: vancho.vk@gmail.com, E-mail: vancho.kocevski@physics.uu.se; Eriksson, O.; Gerard, C.

2015-10-28

Semiconducting nanocrystals (NCs) have become one of the leading materials in a variety of applications, mainly due to their size tunable band gap and high intensity emission. Their photoluminescence (PL) properties can be notably improved by capping the nanocrystals with a shell of another semiconductor, making core-shell structures. We focus our study on the CdS/ZnS core-shell nanocrystals that are closely related to extensively studied CdSe/CdS NCs, albeit exhibiting rather different photoluminescence properties. We employ density functional theory to investigate the changes in the electronic and optical properties of these nanocrystals with size, core/shell ratio, and interface structure between the coremore » and the shell. We have found that both the lowest unoccupied eigenstate (LUES) and the highest occupied eigenstate (HOES) wavefunction (WF) are localized in the core of the NCs, with the distribution of the LUES WF being more sensitive to the size and the core/shell ratio. We show that the radiative lifetimes are increasing, and the Coulomb interaction energies decrease with increasing NC size. Furthermore, we investigated the electronic and optical properties of the NCs with different interfaces between the core and the shell and different core types. We find that the different interfaces and core types have rather small influence on the band gaps and the absorption indexes, as well as on the confinement of the HOES and LUES WFs. Also the radiative lifetimes are found to be only slightly influenced by the different structural models. In addition, we compare these results with the previous results for CdSe/CdS NCs, reflecting the different PL properties of these two types of NCs. We argue that the difference in their Coulomb interaction energies is one of the main reasons for their distinct PL properties.« less

A comparison of the solvation structure and dynamics of the lithium ion in linear organic carbonates with different alkyl chain lengths.

PubMed

Fulfer, K D; Kuroda, D G

2017-09-20

The structure and dynamics of electrolytes composed of lithium hexafluorophosphate (LiPF 6 ) in dimethyl carbonate, ethyl methyl carbonate, and diethyl carbonate were investigated using a combination of linear and two-dimensional infrared spectroscopies. The solutions studied here have a LiPF 6 concentration of X(LiPF 6 ) = 0.09, which is typically found in commercial lithium ion batteries. This study focuses on comparing the differences in the solvation shell structure and dynamics produced by linear organic carbonates of different alkyl chain lengths. The IR experiments show that either linear carbonate forms a tetrahedral solvation shell (coordination number of 4) around the lithium ion irrespective of whether the solvation shell has anions in close proximity to the carbonates. Moreover, analysis of the absorption cross sections via FTIR and DFT computations reveals a distortion in the angle formed by Li + -O[double bond, length as m-dash]C which decreases from the expected 180° when the alkyl chains of the carbonate are lengthened. In addition, our findings also reveal that, likely due to its asymmetric structure, ethyl methyl carbonate has a significantly more distorted tetrahedral lithium ion solvation shell than either of the other two investigated carbonates. IR photon echo studies further demonstrate that the motions of the solvation shell have a time scale of a few picoseconds for all three linear carbonates. Interestingly, a slowdown of the in place-motions of the first solvation shell is observed when the carbonate has a longer alkyl chain length irrespective of the symmetry. In addition, vibrational energy transfer with a time scale of tens of picoseconds is observed between strongly coupled modes arising from the solvation shell structure of the Li + which corroborates the modeling of these solvation shells in terms of highly coupled vibrational states. Results of this study provide new insights into the molecular structure and dynamics of the lithium ion electrolyte components as a function of solvent structure.

Disentangling controls on element impurities of bivalve shells

NASA Astrophysics Data System (ADS)

Zhao, Liqiang; Schöne, Bernd R.; Mertz-Kraus, Regina

2017-04-01

Trace and minor elements of bivalve shells can potentially serve as proxies of past environmental change. However, retrieving environmental information from element impurities of bivalve shells remains an extremely challenging task. A central difficulty concerns the fact that extrinsic and intrinsic factors governing the element incorporation are poorly constrained. Within the framework of the ARAMACC project, we aim to decipher the complexity of the incorporation of trace and minor elements into bivalve shells and explore their full potential as proxies of environmental change. More specifically, the following questions were tackled. (1) How are trace and minor elements transported from the ambient environment to the calcifying front? (2) How is their incorporation into the shells affected by environmental and physiological variables? Our findings lend support to the general assumption that divalent ions (e.g., Cu2+, Mn2+, Zn2+ and Pb2+) share the same transport pathways as Ca2+ because of similar ionic radii and electrochemical properties. However, results obtained for Mg2+, Sr2+ and Ba2+ are particularly interesting as they are at odds with existing hypotheses on the incorporation of these three elements, i.e., intracellular Ca2+ pathways (via Ca2+ channels and Ca2+-ATPase) are likely not responsible for their incorporation. Despite the existence of strong physiological interference, some encouraging results were found, in particular (1) strong, positive relationships between the Sr, Ba and Mn contents of the shells and concentrations in the ambient water, (2) only minor effects of growth rate (which is closely linked to the rate of crystal growth and hence, kinetics) on the amounts of Na, Sr, Ba and Mn incorporation into the shells. Overall, our findings demonstrate that environmental and physiological controls on the element incorporation do not have to be mutually exclusive, i.e., if environmental changes outweigh physiological influences, one could still expect that trace and minor elements of bivalve shells serve as promising environmental proxies.

Different equation-of-motion coupled cluster methods with different reference functions: The formyl radical

NASA Astrophysics Data System (ADS)

Kuś, Tomasz; Bartlett, Rodney J.

2008-09-01

The doublet and quartet excited states of the formyl radical have been studied by the equation-of-motion (EOM) coupled cluster (CC) method. The Sz spin-conserving singles and doubles (EOM-EE-CCSD) and singles, doubles, and triples (EOM-EE-CCSDT) approaches, as well as the spin-flipped singles and doubles (EOM-SF-CCSD) method have been applied, subject to unrestricted Hartree-Fock (HF), restricted open-shell HF, and quasirestricted HF references. The structural parameters, vertical and adiabatic excitation energies, and harmonic vibrational frequencies have been calculated. The issue of the reference function choice for the spin-flipped (SF) method and its impact on the results has been discussed using the experimental data and theoretical results available. The results show that if the appropriate reference function is chosen so that target states differ from the reference by only single excitations, then EOM-EE-CCSD and EOM-SF-CCSD methods give a very good description of the excited states. For the states that have a non-negligible contribution of the doubly excited configurations one is able to use the SF method with such a reference function, that in most cases the performance of the EOM-SF-CCSD method is better than that of the EOM-EE-CCSD approach.

Bifurcation of self-folded polygonal bilayers

NASA Astrophysics Data System (ADS)

Abdullah, Arif M.; Braun, Paul V.; Hsia, K. Jimmy

2017-09-01

Motivated by the self-assembly of natural systems, researchers have investigated the stimulus-responsive curving of thin-shell structures, which is also known as self-folding. Self-folding strategies not only offer possibilities to realize complicated shapes but also promise actuation at small length scales. Biaxial mismatch strain driven self-folding bilayers demonstrate bifurcation of equilibrium shapes (from quasi-axisymmetric doubly curved to approximately singly curved) during their stimulus-responsive morphing behavior. Being a structurally instable, bifurcation could be used to tune the self-folding behavior, and hence, a detailed understanding of this phenomenon is appealing from both fundamental and practical perspectives. In this work, we investigated the bifurcation behavior of self-folding bilayer polygons. For the mechanistic understanding, we developed finite element models of planar bilayers (consisting of a stimulus-responsive and a passive layer of material) that transform into 3D curved configurations. Our experiments with cross-linked Polydimethylsiloxane samples that change shapes in organic solvents confirmed our model predictions. Finally, we explored a design scheme to generate gripper-like architectures by avoiding the bifurcation of stimulus-responsive bilayers. Our research contributes to the broad field of self-assembly as the findings could motivate functional devices across multiple disciplines such as robotics, artificial muscles, therapeutic cargos, and reconfigurable biomedical devices.

Properties of γ -decaying isomers and isomeric ratios in the 100Sn region

NASA Astrophysics Data System (ADS)

Park, J.; Krücken, R.; Lubos, D.; Gernhäuser, R.; Lewitowicz, M.; Nishimura, S.; Ahn, D. S.; Baba, H.; Blank, B.; Blazhev, A.; Boutachkov, P.; Browne, F.; Čeliković, I.; de France, G.; Doornenbal, P.; Faestermann, T.; Fang, Y.; Fukuda, N.; Giovinazzo, J.; Goel, N.; Górska, M.; Grawe, H.; Ilieva, S.; Inabe, N.; Isobe, T.; Jungclaus, A.; Kameda, D.; Kim, G. D.; Kim, Y.-K.; Kojouharov, I.; Kubo, T.; Kurz, N.; Lorusso, G.; Moschner, K.; Murai, D.; Nishizuka, I.; Patel, Z.; Rajabali, M. M.; Rice, S.; Sakurai, H.; Schaffner, H.; Shimizu, Y.; Sinclair, L.; Söderström, P.-A.; Steiger, K.; Sumikama, T.; Suzuki, H.; Takeda, H.; Wang, Z.; Watanabe, H.; Wu, J.; Xu, Z. Y.

2017-10-01

Half-lives and energies of γ rays emitted in the decay of isomeric states of nuclei in the vicinity of the doubly magic 100Sn were measured in a decay spectroscopy experiment at Rikagaku Kenkyusho (The Institute of Physical and Chemical Research) of Japan Nishina Center. The measured half-lives, some with improved precision, are consistent with literature values. Three new results include a 55-keV E 2 γ ray from a new (4+) isomer with T1 /2=0.23 (6 ) μ s in 92Rh, a 44-keV E 2 γ ray from the (15+) isomer in 96Ag, and T1 /2(6+) =13 (2 ) ns in 98Cd. Shell-model calculations of electromagnetic transition strengths in the (p1 /2,g9 /2) model space agree with the experimental results. In addition, experimental isomeric ratios were compared to the theoretical predictions derived with an abrasion-ablation model and the sharp cutoff model. The results agreed within a factor of 2 for most isomers. From the nonobservation of time-delayed γ rays in 100Sn, new constraints on the T1 /2, γ -ray energy, and internal conversion coefficients are proposed for the hypothetical isomer in 100Sn.

Enhanced α-Transfer population of the 2ms+ mixed-symmetry state in 52Ti

NASA Astrophysics Data System (ADS)

Ali, Fuad A.; Muecher, Dennis; Bildstein, Vinzenz; Greaves, Beau; Kilic, Ali. I.; Holt, Jason D.; Berner, Christian; Gernhaeuser, R.; Nowak, K.; Hellgartner, S.; Lutter, R.; Reichert, S.

2017-09-01

The residual nucleon-nucleon interaction plays a crucial role in nuclear structure physics. In spherical even-even nuclei the quadrupole interaction leads to so called proton-neutron mixed symmetry states, which are sensitive to the underlying subshell structure. We present new data using the MINIBALL germanium array. States in 52Ti were populated via the α-transfer reaction 48Ca(12C,8Be)52Ti using a 48Ca beam from the Maier-Leibnitz-Laboratory in Munich. In the frame work of IBM-2, Alonso et al. have shown that the population of the 2ms+ state is strictly forbidden for the alpha transfer from a doubly magic nucleus. In contrast, we measured a large relative cross section into the 22+ mixed-symmetry state in 52Ti relative to the 21+ state of 31.1(20) %. This value exceeds earlier measurements in the 140Ba nucleus, representing the case of a particular strong population of the 2ms,SUP>+ state. This points towards effects of core polarizations of 48Ca in the low-lying structure of 52Ti. We have performed ab-initio shell model calculations to understand the origin of the discovered discrepancies. Permanent Address: Department of Physics, College of Education, University of Sulaimani, P. O. Box 334, Sulaimani, Kurdistan Region, Iraq.

The cross sections of fusion-evaporation reactions: the most promising route to superheavy elements beyond Z=118

NASA Astrophysics Data System (ADS)

Jadambaa, Khuyagbaatar

2017-11-01

The synthesis of superheavy elements beyond oganesson (Og), which has atomic number Z = 118, is currently one of the main topics in nuclear physics. An absence of sufficient amounts of target material with atomic numbers heavier than californium (Z = 98) forces the use of projectiles heavier than 48Ca (Z = 20), which has been successfully used for the discoveries of elements with Z = 114 - 118 in complete fusion reactions. Experimental cross sections of 48Ca with actinide targets behave very differently to "cold" and "hot" fusion-evaporation reactions, where doubly-magic lead and deformed actinides are used as targets, respectively. The known cross sections of these reactions have been analysed compared to calculated fission barriers. It has been suggested that observed discrepancies between the cross sections of 48Ca-induced and other fusionevaporation reactions originate from the shell structure of the compound nucleus, which lies in the island of the stability. Besides scarcely known data on other reactions involving heavier projectiles, the most promising projectile for the synthesis of the elements beyond Og seems to be 50Ti. However, detailed studies of 50Ti, 54Cr, 58Fe and 64Ni-induced reactions are necessary to be performed in order to fully understand the complexities of superheavy element formation.

Shells, orbit bifurcations, and symmetry restorations in Fermi systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magner, A. G., E-mail: magner@kinr.kiev.ua; Koliesnik, M. V.; Arita, K.

The periodic-orbit theory based on the improved stationary-phase method within the phase-space path integral approach is presented for the semiclassical description of the nuclear shell structure, concerning themain topics of the fruitful activity ofV.G. Soloviev. We apply this theory to study bifurcations and symmetry breaking phenomena in a radial power-law potential which is close to the realistic Woods–Saxon one up to about the Fermi energy. Using the realistic parametrization of nuclear shapes we explain the origin of the double-humped fission barrier and the asymmetry in the fission isomer shapes by the bifurcations of periodic orbits. The semiclassical origin of themore » oblate–prolate shape asymmetry and tetrahedral shapes is also suggested within the improved periodic-orbit approach. The enhancement of shell structures at some surface diffuseness and deformation parameters of such shapes are explained by existence of the simple local bifurcations and new non-local bridge-orbit bifurcations in integrable and partially integrable Fermi-systems. We obtained good agreement between the semiclassical and quantum shell-structure components of the level density and energy for several surface diffuseness and deformation parameters of the potentials, including their symmetry breaking and bifurcation values.« less

Recent Direct Reaction Experimental Studies with Radioactive Tin Beams

DOE PAGES

Jones, K. L.; Ahn, S.; Allmond, J. M.; ...

2015-01-01

Direct reaction techniques are powerful tools to study the single-particle nature of nuclei. Performing direct reactions on short-lived nuclei requires radioactive ion beams produced either via fragmentation or the Isotope Separation OnLine (ISOL) method. Some of the most interesting regions to study with direct reactions are close to the magic numbers where changes in shell structure can be tracked. These changes can impact the final abundances of explosive nucleosynthesis. The structure of the chain of tin isotopes is strongly influenced by the Z = 50 proton shell closure, as well as the neutron shell closures lying in the neutron-rich, Nmore » = 82, and neutron-deficient, N = 50, regions. Here, we present two examples of direct reactions on exotic tin isotopes. The first uses a one-neutron transfer reaction and a low-energy reaccelerated ISOL beam to study states in Sn-131 from across the N = 82 shell closure. The second example utilizes a one-neutron knockout reaction on fragmentation beams of neutron-deficient Sn- 106,108Sn. In conclusion, In both cases, measurements of γ rays in coincidence with charged particles proved to be invaluable.« less

Facile fabrication of well-defined hydrogel beads with magnetic nanocomposite shells.

PubMed

Liu, Hongxia; Wang, Chaoyang; Gao, Quanxing; Chen, Jianxin; Ren, Biye; Liu, Xinxing; Tong, Zhen

2009-07-06

Well-defined magnetic nanocomposite beads with alginate gel cores and shells of iron oxide (gamma-Fe(2)O(3)) nanoparticles were prepared by self-assembly of colloidal particles at liquid-liquid interfaces and subsequent in situ gelation. Fe(2)O(3) nanoparticles could spontaneously adsorb onto the water droplet surfaces to stabilize water-in-hexane emulsions. Water droplets containing sodium alginate were in situ gelled by calcium cations, which were released from calcium-ethylenediamine tetraacetic acid (Ca-EDTA) chelate by decreasing pH value through slow hydrolysis of d-glucono-delta-lactone (GDL). The resulting hybrid beads with a core-shell structure were easily collected by removing hexane. This facile and high efficient fabrication had a 100% yield and could be carried out at room temperature. Insulin microcrystal was encapsulated into the hybrid beads by dispersing them in the aqueous solution of alginate sodium in the fabrication process. The sustained release could be obtained due to the dual barriers of the hydrogel core and the close-packed inorganic shell. The release curves were nicely fitted by the Weibull equation and the release followed Fickian diffusion. The hybrid beads may find applications as delivery vehicles for biomolecules, drugs, cosmetics, food supplements and living cells.

The draft genomes of soft–shell turtle and green sea turtle yield insights into the development and evolution of the turtle–specific body plan

PubMed Central

Niimura, Yoshihito; Huang, Zhiyong; Li, Chunyi; White, Simon; Xiong, Zhiqiang; Fang, Dongming; Wang, Bo; Ming, Yao; Chen, Yan; Zheng, Yuan; Kuraku, Shigehiro; Pignatelli, Miguel; Herrero, Javier; Beal, Kathryn; Nozawa, Masafumi; Li, Qiye; Wang, Juan; Zhang, Hongyan; Yu, Lili; Shigenobu, Shuji; Wang, Junyi; Liu, Jiannan; Flicek, Paul; Searle, Steve; Wang, Jun; Kuratani, Shigeru; Yin, Ye; Aken, Bronwen; Zhang, Guojie; Irie, Naoki

2014-01-01

The unique anatomical features of turtles have raised unanswered questions about the origin of their unique body plan. We generated and analyzed draft genomes of the soft-shell turtle (Pelodiscus sinensis) and the green sea turtle (Chelonia mydas); our results indicated the close relationship of the turtles to the bird-crocodilian lineage, from which they split ~267.9–248.3 million years ago (Upper Permian to Triassic). We also found extensive expansion of olfactory receptor genes in these turtles. Embryonic gene expression analysis identified an hourglass-like divergence of turtle and chicken embryogenesis, with maximal conservation around the vertebrate phylotypic period, rather than at later stages that show the amniote-common pattern. Wnt5a expression was found in the growth zone of the dorsal shell, supporting the possible co-option of limb-associated Wnt signaling in the acquisition of this turtle-specific novelty. Our results suggest that turtle evolution was accompanied by an unexpectedly conservative vertebrate phylotypic period, followed by turtle-specific repatterning of development to yield the novel structure of the shell. PMID:23624526