Contribution of inner shell Compton ionization to the X-ray fluorescence line intensity

NASA Astrophysics Data System (ADS)

Fernández, Jorge E.; Scot, Viviana; Di Giulio, Eugenio

2016-10-01

The Compton effect is a potential ionization mechanism of atoms. It produces vacancies in inner shells that are filled with the same mechanism of atomic relaxation as the one following photo-absorption. This contribution to X-ray fluorescence emission is frequently neglected because the total Compton cross-section is apparently much lower than the photoelectric one at useful X-ray energies. However, a more careful analysis suggests that is necessary to consider single shell cross sections (instead of total cross sections) as a function of energy. In this article these Compton cross sections are computed for the shells K, L1-L3 and M1-M5 in the framework of the impulse approximation. By comparing the Compton and the photoelectric cross-section for each shell it is then possible to determine the extent of the Compton correction to the intensity of the corresponding characteristic lines. It is shown that for the K shell the correction becomes relevant for excitation energies which are too high to be influent in X-ray spectrometry. In contrast, for L and M shells the Compton contribution is relevant for medium-Z elements and medium energies. To illustrate the different grades of relevance of the correction, for each ionized shell, the energies for which the Compton contribution reaches the extent levels of 1, 5, 10, 20, 50 and 100% of the photoelectric one are determined for all the elements with Z = 11-92. For practical applications it is provided a simple formula and fitting coefficients to compute average correction levels for the shells considered.

rPM6 parameters for phosphorous and sulphur-containing open-shell molecules

NASA Astrophysics Data System (ADS)

Saito, Toru; Takano, Yu

2018-03-01

In this article, we have introduced a reparameterisation of PM6 (rPM6) for phosphorus and sulphur to achieve a better description of open-shell species containing the two elements. Two sets of the parameters have been optimised separately using our training sets. The performance of the spin-unrestricted rPM6 (UrPM6) method with the optimised parameters is evaluated against 14 radical species, which contain either phosphorus or sulphur atom, comparing with the original UPM6 and the spin-unrestricted density functional theory (UDFT) methods. The standard UPM6 calculations fail to describe the adiabatic singlet-triplet energy gaps correctly, and may cause significant structural mismatches with UDFT-optimised geometries. Leaving aside three difficult cases, tests on 11 open-shell molecules strongly indicate the superior performance of UrPM6, which provides much better agreement with the results of UDFT methods for geometric and electronic properties.

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

Gomez, John A.; Henderson, Thomas M.; Scuseria, Gustavo E.

Restricted single-reference coupled cluster theory truncated to single and double excitations accurately describes weakly correlated systems, but often breaks down in the presence of static or strong correlation. Good coupled cluster energies in the presence of degeneracies can be obtained by using a symmetry-broken reference, such as unrestricted Hartree-Fock, but at the cost of good quantum numbers. A large body of work has shown that modifying the coupled cluster ansatz allows for the treatment of strong correlation within a single-reference, symmetry-adapted framework. The recently introduced singlet-paired coupled cluster doubles (CCD0) method is one such model, which recovers correct behavior formore » strong correlation without requiring symmetry breaking in the reference. Here, we extend singlet-paired coupled cluster for application to open shells via restricted open-shell singlet-paired coupled cluster singles and doubles (ROCCSD0). The ROCCSD0 approach retains the benefits of standard coupled cluster theory and recovers correct behavior for strongly correlated, open-shell systems using a spin-preserving ROHF reference.« less

Non-parametric representation and prediction of single- and multi-shell diffusion-weighted MRI data using Gaussian processes

PubMed Central

Andersson, Jesper L.R.; Sotiropoulos, Stamatios N.

2015-01-01

Diffusion MRI offers great potential in studying the human brain microstructure and connectivity. However, diffusion images are marred by technical problems, such as image distortions and spurious signal loss. Correcting for these problems is non-trivial and relies on having a mechanism that predicts what to expect. In this paper we describe a novel way to represent and make predictions about diffusion MRI data. It is based on a Gaussian process on one or several spheres similar to the Geostatistical method of “Kriging”. We present a choice of covariance function that allows us to accurately predict the signal even from voxels with complex fibre patterns. For multi-shell data (multiple non-zero b-values) the covariance function extends across the shells which means that data from one shell is used when making predictions for another shell. PMID:26236030

Corrigendum to “Feasibility of dibromochloropropane (DBCP) and trichloroethylene (TCE) adsorption onto activated carbons made from nut shells of different almond varieties” [Ind. Crops Prod. 31 (2) (2010) 261-265

USDA-ARS?s Scientific Manuscript database

The authors would like to make the following correction in the above mentioned published article. In the Experimental Methods section, the original manuscript described an activation strategy for the pyrolyzed materials that was not accurate. The correct condition for activation was 800C for 45 m...

Turbine Engine Component Analysis: Cantilevered Composite Flat Plate Analysis

DTIC Science & Technology

1989-11-01

4/5 element which translates into the ADIN. shell element (Type 7) with thickness correction. PATADI automatically generates midsurface normal vectors...for each node referenced by a shell element. Using thickness correction, the element thickness will be oriented along the midsurface direction. If no

An Investigation of Differential Deposition for Figure Corrections in Full-Shell Grazing-Incidents X-Ray Optics

NASA Technical Reports Server (NTRS)

Gubarev, Mikhail V.; Kilaru, Kirenmayee; Ramsey, Brian D.

2009-01-01

We are investigating differential deposition as a way of correcting small figure errors inside full-shell grazing-incidence x-ray optics. The optics in our study are fabricated using the electroformed-nickel-replication technique, and the figure errors arise from fabrication errors in the mandrel, from which the shells are replicated, as well as errors induced during the electroforming process. Combined, these give sub-micron-scale figure deviations which limit the angular resolution of the optics to approx. 10 arcsec. Sub-micron figure errors can be corrected by selectively depositing (physical vapor deposition) material inside the shell. The requirements for this filler material are that it must not degrade the ultra-smooth surface finish necessary for efficient x-ray reflection (approx. 5 A rms), and must not be highly stressed. In addition, a technique must be found to produce well controlled and defined beams within highly constrained geometries, as some of our mirror shells are less than 3 cm in diameter.

Correction: Shell-isolated nanoparticle-enhanced Raman spectroscopy study of the adsorption behaviour of DNA bases on Au(111) electrode surfaces.

PubMed

Wen, Bao-Ying; Jin, Xi; Li, Yue; Wang, Ya-Hao; Li, Chao-Yu; Liang, Miao-Miao; Panneerselvam, Rajapandiyan; Xu, Qing-Chi; Wu, De-Yin; Yang, Zhi-Lin; Li, Jian-Feng; Tian, Zhong-Qun

2016-06-21

Correction for 'Shell-isolated nanoparticle-enhanced Raman spectroscopy study of the adsorption behaviour of DNA bases on Au(111) electrode surfaces' by Bao-Ying Wen et al., Analyst, 2016, DOI: 10.1039/c6an00180g.

Dynamical discrete/continuum linear response shells theory of solvation: convergence test for NH4+ and OH- ions in water solution using DFT and DFTB methods.

PubMed

de Lima, Guilherme Ferreira; Duarte, Hélio Anderson; Pliego, Josefredo R

2010-12-09

A new dynamical discrete/continuum solvation model was tested for NH(4)(+) and OH(-) ions in water solvent. The method is similar to continuum solvation models in a sense that the linear response approximation is used. However, different from pure continuum models, explicit solvent molecules are included in the inner shell, which allows adequate treatment of specific solute-solvent interactions present in the first solvation shell, the main drawback of continuum models. Molecular dynamics calculations coupled with SCC-DFTB method are used to generate the configurations of the solute in a box with 64 water molecules, while the interaction energies are calculated at the DFT level. We have tested the convergence of the method using a variable number of explicit water molecules and it was found that even a small number of waters (as low as 14) are able to produce converged values. Our results also point out that the Born model, often used for long-range correction, is not reliable and our method should be applied for more accurate calculations.

Spin density and orbital optimization in open shell systems: A rational and computationally efficient proposal

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

Giner, Emmanuel, E-mail: gnrmnl@unife.it; Angeli, Celestino, E-mail: anc@unife.it

2016-03-14

The present work describes a new method to compute accurate spin densities for open shell systems. The proposed approach follows two steps: first, it provides molecular orbitals which correctly take into account the spin delocalization; second, a proper CI treatment allows to account for the spin polarization effect while keeping a restricted formalism and avoiding spin contamination. The main idea of the optimization procedure is based on the orbital relaxation of the various charge transfer determinants responsible for the spin delocalization. The algorithm is tested and compared to other existing methods on a series of organic and inorganic open shellmore » systems. The results reported here show that the new approach (almost black-box) provides accurate spin densities at a reasonable computational cost making it suitable for a systematic study of open shell systems.« less

Large Electroweak Corrections to Vector-Boson Scattering at the Large Hadron Collider.

PubMed

Biedermann, Benedikt; Denner, Ansgar; Pellen, Mathieu

2017-06-30

For the first time full next-to-leading-order electroweak corrections to off-shell vector-boson scattering are presented. The computation features the complete matrix elements, including all nonresonant and off-shell contributions, to the electroweak process pp→μ^{+}ν_{μ}e^{+}ν_{e}jj and is fully differential. We find surprisingly large corrections, reaching -16% for the fiducial cross section, as an intrinsic feature of the vector-boson-scattering processes. We elucidate the origin of these large electroweak corrections upon using the double-pole approximation and the effective vector-boson approximation along with leading-logarithmic corrections.

Shell Corrections Stabilizing Superheavy Nuclei and Semi-spheroidal Atomic Clusters

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

Poenaru, Dorin N.

2008-01-24

The macroscopic-microscopic method is used to illustrate the shell effect stabilizing superheavy nuclei and to study the stability of semi-spheroidal clusters deposited on planar surfaces. The alpha decay of superheavy nuclei is calculated using three models: the analytical superasymmetric fission model; the universal curve, and the semiempirical formula taking into account the shell effects. Analytical relationships are obtained for the energy levels of the new semi-spheroidal harmonic oscillator (SSHO) single-particle model and for the surface and curvature energies of the semi-spheroidal clusters. The maximum degeneracy of the SSHO is reached at a super-deformed prolate shape for which the minimum ofmore » the liquid drop model energy is also attained.« less

Differential Deposition for Surface Figure Corrections in Grazing Incidence X-Ray Optics

NASA Technical Reports Server (NTRS)

Ramsey, Brian D.; Kilaru, Kiranmayee; Atkins, Carolyn; Gubarev, Mikhail V.; Broadway, David M.

2015-01-01

Differential deposition corrects the low- and mid- spatial-frequency deviations in the axial figure of Wolter-type grazing incidence X-ray optics. Figure deviations is one of the major contributors to the achievable angular resolution. Minimizing figure errors can significantly improve the imaging quality of X-ray optics. Material of varying thickness is selectively deposited, using DC magnetron sputtering, along the length of optic to minimize figure deviations. Custom vacuum chambers are built that can incorporate full-shell and segmented Xray optics. Metrology data of preliminary corrections on a single meridian of full-shell x-ray optics show an improvement of mid-spatial frequencies from 6.7 to 1.8 arc secs HPD. Efforts are in progress to correct a full-shell and segmented optics and to verify angular-resolution improvement with X-ray testing.

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.

Fission properties of Po isotopes in different macroscopic-microscopic models

NASA Astrophysics Data System (ADS)

Bartel, J.; Pomorski, K.; Nerlo-Pomorska, B.; Schmitt, Ch

2015-11-01

Fission-barrier heights of nuclei in the Po isotopic chain are investigated in several macroscopic-microscopic models. Using the Yukawa-folded single-particle potential, the Lublin-Strasbourg drop (LSD) model, the Strutinsky shell-correction method to yield the shell corrections and the BCS theory for the pairing contributions, fission-barrier heights are calculated and found in quite good agreement with the experimental data. This turns out, however, to be only the case when the underlying macroscopic, liquid-drop (LD) type, theory is well chosen. Together with the LSD approach, different LD parametrizations proposed by Moretto et al are tested. Four deformation parameters describing respectively elongation, neck-formation, reflectional-asymmetric, and non-axiality of the nuclear shape thus defining the so called modified Funny Hills shape parametrization are used in the calculation. The present study clearly demonstrates that nuclear fission-barrier heights constitute a challenging and selective tool to discern between such different macroscopic approaches.

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

Improving X-ray Optics Through Differential Deposition

NASA Technical Reports Server (NTRS)

Ramsey, Brian; Kilaru, Kiranmayee; Atkins, Carolyn; Gubarev, Mikhail V.; Gaskin, Jessica A.; O'Dell, Steve; Weisskopf, Martin; Zhang, William; Romaine, Suzanne

2012-01-01

The differential deposition technique can in theory correct shell figures to approximate arcsecond value. We have received APRA funding and are building two custom system to demonstrate the technique on full shell and segmented optics. We hope to be able to demonstrate < 5 arcsec performance in < 2 years. To go beyond this, (arcsecond level) is very difficult to judge as we have not yet discovered the problems. May necessitate in-situ metrology, stress reduction investigations, correcting for gravity effects, correcting for temperature effects. Some of this will become obvious in early parts of the investigation.

Comparison of nonmesonic hypernuclear decay rates computed in laboratory and center-of-mass coordinates

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

De Conti, C.; Barbero, C.; Galeão, A. P.

In this work we compute the one-nucleon-induced nonmesonic hypernuclear decay rates of {sub Λ}{sup 5}He, {sub Λ}{sup 12}C and {sub Λ}{sup 13}C using a formalism based on the independent particle shell model in terms of laboratory coordinates. To ascertain the correctness and precision of the method, these results are compared with those obtained using a formalism in terms of center-of-mass coordinates, which has been previously reported in the literature. The formalism in terms of laboratory coordinates will be useful in the shell-model approach to two-nucleon-induced transitions.

Structural Basis for Near Unity Quantum Yield Core/Shell Nanostructures

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

McBride, James; Treadway, Joe; Pennycook, Stephen J

2006-01-01

Aberration-corrected Z-contrast scanning transmission electron microscopy of core/shell nanocrystals shows clear correlations between structure and quantum efficiency. Uniform shell coverage is obtained only for a graded CdS/ZnS shell material and is found to be critical to achieving near 100% quantum yield. The sublattice sensitivity of the images confirms that preferential growth takes place on the anion-terminated surfaces. This explains the three-dimensional "nanobullet" shape observed in the case of core/shell nanorods.

Electron Impact Inner-shell Ionization including relativistic corrections.

NASA Astrophysics Data System (ADS)

Saha, Bidhan C.; Alfaz Uddin, M.; Basak, Arun K.

2007-04-01

We report a simple method to evaluate the electron impact inner-shell ionization cross sections at ultra high energy regime; there still remains a sparse cross sections due to lack of reliable method. To extend the validity domains of the siBED model [1] in terms of targets and incident energies in this work we modified the RQIBED model [2], and denoted it as MUIBED. It is examined for the description of the experimental EIICS data of various target atoms up to E=250MeV. Details will be presented at the meeting. [1] W. M. Huo, Phys. Rev A 64, 042719 (2001). [2] M. A. Uddin, A. K. F. Haque, M. S. Mahbub, K. R. Karim, A. K. Basak and B. C. Saha, Phys. Rev. A 71, 032715 (2005).

Quantum corrected Schwarzschild thin-shell wormhole

NASA Astrophysics Data System (ADS)

Jusufi, Kimet

2016-11-01

Recently, Ali and Khalil (Nucl Phys B, 909, 173-185, 2016), based on Bohmian quantum mechanics, derived a quantum corrected version of the Schwarzschild metric. In this paper, we construct a quantum corrected Schwarzschild thin-shell wormhole (QSTSW) and investigate the stability of this wormhole. First we compute the surface stress at the wormhole throat by applying the Darmois-Israel formalism to the modified Schwarzschild metric and show that exotic matter is required at the throat to keep the wormhole stable. We then study the stability analysis of the wormhole by considering phantom-energy for the exotic matter, generalized Chaplygin gas (GCG), and the linearized stability analysis. It is argued that quantum corrections can affect the stability domain of the wormhole.

Stress polishing of thin shells for adaptive secondary mirrors. Application to the Very Large Telescope deformable secondary

NASA Astrophysics Data System (ADS)

Hugot, E.; Ferrari, M.; Riccardi, A.; Xompero, M.; Lemaître, G. R.; Arsenault, R.; Hubin, N.

2011-03-01

Context. Adaptive secondary mirrors (ASM) are, or will be, key components on all modern telescopes, providing improved seeing conditions or diffraction limited images, thanks to the high-order atmospheric turbulence correction obtained by controlling the shape of a thin mirror. Their development is a key milestone towards future extremely large telescopes (ELT) where this technology is mandatory for successful observations. Aims: The key point of actual adaptive secondaries technology is the thin glass mirror that acts as a deformable membrane, often aspheric. On 6 m - 8 m class telescopes, these are typically 1 m-class with a 2 mm thickness. The optical quality of this shell must be sufficiently good not to degrade the correction, meaning that high spatial frequency errors must be avoided. The innovative method presented here aims at generating aspherical shapes by elastic bending to reach high optical qualities. Methods: This method is called stress polishing and allows generating aspherical optics of a large amplitude with a simple spherical polishing with a full sized lap applied on a warped blank. The main advantage of this technique is the smooth optical quality obtained, free of high spatial frequency ripples as they are classically caused by subaperture toolmarks. After describing the manufacturing process we developed, our analytical calculations lead to a preliminary definition of the geometry of the blank, which allows a precise bending of the substrate. The finite element analysis (FEA) can be performed to refine this geometry by using an iterative method with a criterion based on the power spectral density of the displacement map of the optical surface. Results: Considering the specific case of the Very Large Telescope (VLT) deformable secondary mirror (DSM), extensive FEA were performed for the optimisation of the geometry. Results are showing that the warping will not introduce surface errors higher than 0.3 nm rms on the minimal spatial scale considered on the mirror. Simulations of the flattening operation of the shell also demonstrate that the actuators system is able to correct manufacturing surface errors coming from the warping of the blank with a residual error lower than 8 nm rms.

On sound transmission through double-walled cylindrical shells lined with poroelastic material: Comparison with Zhou's results and further effect of external mean flow

NASA Astrophysics Data System (ADS)

Liu, Yu; He, Chuanbo

2015-12-01

In this discussion, the corrections to the errors found in the derivations and the numerical code of a recent analytical study (Zhou et al. Journal of Sound and Vibration 333 (7) (2014) 1972-1990) on sound transmission through double-walled cylindrical shells lined with poroelastic material are presented and discussed, as well as the further effect of the external mean flow on the transmission loss. After applying the corrections, the locations of the characteristic frequencies of thin shells remain unchanged, as well as the TL results above the ring frequency where BU and UU remain the best configurations in sound insulation performance. In the low-frequency region below the ring frequency, however, the corrections attenuate the TL amplitude significantly for BU and UU, and hence the BB configuration exhibits the best performance which is consistent with previous observations for flat sandwich panels.

Strongly screening corrections to antineutrino energy loss by β --decay of nuclides 53Fe, 54Fe, 55Fe, and 56Fe in supernova

NASA Astrophysics Data System (ADS)

Liu, Jing-Jing; Liu, Dong-Mei

2018-06-01

Based on the p-f shell-model, we discuss and calculate β--decay half-lives of neutron-rich nuclei, with a consideration of shell and pair effects, the decay energy, and the nucleon numbers. According to the linear response theory model, we study the effect of electron screening on the electron energy, beta-decay threshold energy, and the antineutrino energy loss rate by β--decay of some iron isotopes. We find that the electron screening antineutrino energy loss rates increase by about two orders of magnitude due to the shell effects and the pairing effect. Beta-decay rates with Q-value corrections due to strong electron screening are higher than those without the Q-value corrections by more than two orders of magnitude. Our conclusions may be helpful for the research on numerical simulations of the cooling of stars.

Shell effects in a multinucleon transfer process

NASA Astrophysics Data System (ADS)

Zhu, Long; Wen, Pei-Wei; Lin, Cheng-Jian; Bao, Xiao-Jun; Su, Jun; Li, Cheng; Guo, Chen-Chen

2018-04-01

The shell effects in multinucleon transfer process are investigated in the systems 136Xe + 198Pt and 136Xe + 208Pb within the dinuclear system (DNS) model. The temperature dependence of shell corrections on potential energy surface is taken into account in the DNS model and remarkable improvement for description of experimental data is noticed. The reactions 136Xe + 186W and 150Nd + 186W are also studied. It is found that due to shell effects the projectile 150Nd is more promising for producing transtarget nuclei rather than 136Xe with neutron shell closure.

Bond additivity corrections for quantum chemistry methods

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

C. F. Melius; M. D. Allendorf

1999-04-01

In the 1980's, the authors developed a bond-additivity correction procedure for quantum chemical calculations called BAC-MP4, which has proven reliable in calculating the thermochemical properties of molecular species, including radicals as well as stable closed-shell species. New Bond Additivity Correction (BAC) methods have been developed for the G2 method, BAC-G2, as well as for a hybrid DFT/MP2 method, BAC-Hybrid. These BAC methods use a new form of BAC corrections, involving atomic, molecular, and bond-wise additive terms. These terms enable one to treat positive and negative ions as well as neutrals. The BAC-G2 method reduces errors in the G2 method duemore » to nearest-neighbor bonds. The parameters within the BAC-G2 method only depend on atom types. Thus the BAC-G2 method can be used to determine the parameters needed by BAC methods involving lower levels of theory, such as BAC-Hybrid and BAC-MP4. The BAC-Hybrid method should scale well for large molecules. The BAC-Hybrid method uses the differences between the DFT and MP2 as an indicator of the method's accuracy, while the BAC-G2 method uses its internal methods (G1 and G2MP2) to provide an indicator of its accuracy. Indications of the average error as well as worst cases are provided for each of the BAC methods.« less

Second derivatives for approximate spin projection methods

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

Thompson, Lee M.; Hratchian, Hrant P., E-mail: hhratchian@ucmerced.edu

2015-02-07

The use of broken-symmetry electronic structure methods is required in order to obtain correct behavior of electronically strained open-shell systems, such as transition states, biradicals, and transition metals. This approach often has issues with spin contamination, which can lead to significant errors in predicted energies, geometries, and properties. Approximate projection schemes are able to correct for spin contamination and can often yield improved results. To fully make use of these methods and to carry out exploration of the potential energy surface, it is desirable to develop an efficient second energy derivative theory. In this paper, we formulate the analytical secondmore » derivatives for the Yamaguchi approximate projection scheme, building on recent work that has yielded an efficient implementation of the analytical first derivatives.« less

Inner-shell Ionization With Relativistic Corrections By Electron Impact

NASA Astrophysics Data System (ADS)

Saha, Bidhan; Patoary, M. A. R.; Alfaz Uddin, M.; Haque, A. K. F.; Basak, Arun K.

2007-06-01

A simple method is proposed and tested by evaluating the electron impact inner-shell ionization cross sections of various targets up to ultra high energy region. In this energy region there are not many calculations due to lack of reliable method. In this work we extend the validity of the siBED model [1] in terms of targets and incident energies. The extension of our earlier RQIBED model [2] is also reported here and we examined its findings for the description of the experimental EIICS data of various targets up to E=1000 MeV. Details will be presented at the meeting. [1] W. M. Huo, Phys. Rev A 64, 042719 (2001). [2] M. A. Uddin, A. K. F. Haque, M. S. Mahbub, K. R. Karim, A. K. Basak and B. C. Saha, Phys. Rev. A 71, 032715 (2005).

New tuning method of the low-mode asymmetry for ignition capsule implosions

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

Gu, Jianfa, E-mail: gu-jianfa@iapcm.ac.cn; Dai, Zhensheng; Zou, Shiyang

2015-12-15

In the deuterium-tritium inertial confinement fusion implosion experiments on the National Ignition Facility, the hot spot and the surrounding main fuel layer show obvious P2 asymmetries. This may be caused by the large positive P2 radiation flux asymmetry during the peak pulse resulting form the poor propagation of the inner laser beam in the gas-filled hohlraum. The symmetry evolution of ignition capsule implosions is investigated by applying P2 radiation flux asymmetries during different time intervals. A series of two-dimensional simulation results show that a positive P2 flux asymmetry during the peak pulse results in a positive P2 shell ρR asymmetry;more » while an early time positive P2 flux asymmetry causes a negative P2 in the fuel ρR shape. The opposite evolution behavior of shell ρR asymmetry is used to develop a new tuning method to correct the radiation flux asymmetry during the peak pulse by adding a compensating same-phased P2 drive asymmetry during the early time. The significant improvements of the shell ρR symmetry, hot spot shape, hot spot internal energy, and neutron yield indicate that the tuning method is quite effective. The similar tuning method can also be used to control the early time drive asymmetries.« less

ISICS2011, an updated version of ISICS: A program for calculation K-, L-, and M-shell cross sections from PWBA and ECPSSR theories using a personal computer

NASA Astrophysics Data System (ADS)

Cipolla, Sam J.

2011-11-01

In this new version of ISICS, called ISICS2011, a few omissions and incorrect entries in the built-in file of electron binding energies have been corrected; operational situations leading to un-physical behavior have been identified and flagged. New version program summaryProgram title: ISICS2011 Catalogue identifier: ADDS_v5_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADDS_v5_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 6011 No. of bytes in distributed program, including test data, etc.: 130 587 Distribution format: tar.gz Programming language: C Computer: 80486 or higher-level PCs Operating system: WINDOWS XP and all earlier operating systems Classification: 16.7 Catalogue identifier of previous version: ADDS_v4_0 Journal reference of previous version: Comput. Phys. Commun. 180 (2009) 1716. Does the new version supersede the previous version?: Yes Nature of problem: Ionization and X-ray production cross section calculations for ion-atom collisions. Solution method: Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits. Reasons for new version: General need for higher precision in output format for projectile energies; some built-in binding energies needed correcting; some anomalous results occur due to faulty read-in data or calculated parameters becoming un-physical; erroneous calculations could result for the L and M shells when restricted K-shell options are inadvertently chosen; to achieve general compatibility with ISICSoo, a companion C++ version that is portable to Linux and MacOS platforms, has been submitted for publication in the CPC Program Library approximately at the same time as this present new standalone version of ISICS [1]. Summary of revisions: The format field for projectile energies in the output has been expanded from two to four decimal places in order to distinguish between closely spaced energy values. There were a few entries in the executable binding energy file that needed correcting; K shell of Eu, M shells of Zn, M1 shell of Kr. The corrected values were also entered in the ENERGY.DAT file. In addition, an alternate data file of binding energies is included, called ENERGY_GW.DAT, which is more up-to-date [2]. Likewise, an alternate atomic parameters data file is now included, called FLOURE_JC.DAT, which is more up-to-date [3] fluorescence yields for the K and L shells and Coster-Kronig parameters for the L shell. Both data files can be read in using the -f usage option. To do this, the original energy file should be renamed and saved (e.g., ENERGY_BB.DAT) and the new file (ENERGY_GW.DAT ) should be duplicated as ENERGY.DAT to be read in using the -f option. Similarly for reading in an alternate FLOURE.DAT file. As with previous versions, the user can also simply input different values of any input quantity by invoking the "specify your own parameters" option from the main menu. You can also use this option to simply check the values of the built-in values of the parameters. If it still happens that a zero binding energy for a particular sub-shell is read in, the program will not completely abort, but will calculate results for the other sub-shells while setting the affected sub-shell output to zero. In calculating the Coulomb deflection factor, if the quantity inside the radical sign of the parameter z z=√{(1} becomes zero or negative, to prevent the program from aborting, the PWBA cross sections are still calculated while the ECPSSR cross sections are set to zero. This situation can happen for very low energy collisions, such as were noticed for helium ions on copper at energies of E⩽11.2 keV. It was observed during the engineering of ISICSoo [1] that erroneous calculations could result for the L- and M-shell cases when restricted K-shell R or HSR scaling options were inappropriately chosen. The program has now been fixed so that these inappropriate options are ignored for the L and M shells. In the previous versions, the usage for inputting a batch data file was incorrectly stated in the Users Manual as -Bxxx; the correct designation is -Fxxx, or alternatively, -Ixxx, as indicated on the usage screen in running the program. A revised Users Manual is also available. Restrictions: The consumed CPU time increases with the atomic shell (K, L, M), but execution is still very fast. Running time: This depends on which shell and the number of different energies to be used in the calculation. The running time is not significantly changed from the previous version.

WFXT Technology Overview

NASA Astrophysics Data System (ADS)

Pareschi, G.; Campana, S.

The Wide Field X-ray Telescope (WFXT) is a medium class mission for X-ray surveys of the sky with an unprecedented area and sensitivity. In order to meet the effective area requirement, the design of the optical system is based on very thin mirror shells, with thicknesses in the 1-2 mm range. In order to get the desired angular resolution (10 arcsec requirement, 5 arcsec goal) across the entire 1× 1 degree FOV (Field Of View), the design of the optical system is based on nested modified grazing incidence Wolter-I mirrors realized with polynomial profiles, focal plane curvature and plate scale corrections. This design guarantees an increased angular resolution at large off-axis angle with respect to the normally used Wolter I configuration, making WFXT ideal for survey purposes. The WFXT X-ray Telescope Assembly is composed by three identical mirror modules of 78 nested shells each, with diameter up to 1.1 m. The epoxy replication process with SiC shells has already been proved to be a valuable technology to meet the angular resolution requirement of 10 arcsec. To further mature the telescope manufacturing technology and to achieve the goal of 5 arcsec, we are considering different materials for the mirror shells with particular care to quartz glass (fused silica), a well-known material with good thermo-mechanical and polishability characteristics that could meet our goal in terms of mass and stiffness, with significant cost and time saving with respect to SiC. To bring the mirror shells to the needed accuracy a deterministic direct polishing method for the mirror shells is under investigation. A direct polishing method has already been used for past missions (as Einstein, Rosat, Chandra): the technological challenge now is to apply it for almost ten times thinner shells. Our approach is based on two main steps: first quartz glass tubes available on the market are grinded to conical profiles, and second the obtained shells are polished to the required polynomial profiles by Computer Numerical Control (CNC) polishing machine.

Design and development by direct polishing of the WFXT thin polynomial mirror shells

NASA Astrophysics Data System (ADS)

Proserpio, L.; Campana, S.; Citterio, O.; Civitani, M.; Combrinck, H.; Conconi, P.; Cotroneo, V.; Freeman, R.; Mattini, E.; Langstrof, P.; Morton, R.; Motta, G.; Oberle, O.; Pareschi, G.; Parodi, G.; Pels, C.; Schenk, C.; Stock, R.; Tagliaferri, G.

2017-11-01

The Wide Field X-ray Telescope (WFXT) is a medium class mission proposed to address key questions about cosmic origins and physics of the cosmos through an unprecedented survey of the sky in the soft X-ray band (0.2-6 keV) [1], [2]. In order to get the desired angular resolution of 10 arcsec (5 arcsec goal) on the entire 1 degrees Field Of View (FOV), the design of the optical system is based on nested grazing-incidence polynomial profiles mirrors, and assumes a focal plane curvature and plate scale corrections among the shells. This design guarantees an increased angular resolution also at large off-axis positions with respect to the usually adopted Wolter I configuration. In order to meet the requirements in terms of mass and effective area (less than 1200 kg, 6000 cm2 @ 1 keV), the nested shells are thin and made of quartz glass. The telescope assembly is composed by three identical modules of 78 nested shells each, with diameter up to 1.1 m, length in the range of 200-440 mm and thickness of less than 2.2 mm. At this regard, a deterministic direct polishing method is under investigation to manufacture the WFXT thin grazing-incidence mirrors made of quartz. The direct polishing method has already been used for past missions (as Einstein, Rosat, Chandra) but based on much thicker shells (10 mm ore more). The technological challenge for WFXT is to apply the same approach but for 510 times thinner shells. The proposed approach is based on two main steps: first, quartz glass tubes available on the market are ground to conical profiles; second the pre-shaped shells are polished to the required polynomial profiles using a CNC polishing machine. In this paper, preliminary results on the direct grinding and polishing of prototypes shells made by quartz glass with low thickness, representative of the WFXT optical design, are presented.

Recent Progress in Adjustable X-ray Optics for Astronomy

NASA Technical Reports Server (NTRS)

Reid, Paul B.; Allured, Ryan; Cotroneo, Vincenzo; McMuldroch, Stuart; Marquez, Vanessa; Schwartz, Daniel A.; Vikhlinin, Alexey; ODell, Stephen L.; Ramsey, Brian; Trolier-McKinstry, Susan;

Analytical Prediction of Damage Growth in Notched Composite Panels Loaded in Axial Compression

NASA Technical Reports Server (NTRS)

Ambur, Damodar R.; McGowan, David M.; Davila, Carlos G.

1999-01-01

A progressive failure analysis method based on shell elements is developed for the computation of damage initiation and growth in stiffened thick-skin stitched graphite-epoxy panels loaded in axial compression. The analysis method involves a step-by-step simulation of material degradation based on ply-level failure mechanisms. High computational efficiency is derived from the use of superposed layers of shell elements to model each ply orientation in the laminate. Multiple integration points through the thickness are used to obtain the correct bending effects through the thickness without the need for ply-by-ply evaluations of the state of the material. The analysis results are compared with experimental results for three stiffened panels with notches oriented at 0, 15 and 30 degrees to the panel width dimension. A parametric study is performed to investigate the damage growth retardation characteristics of the Kevlar stitch lines in the pan

Early failure mechanisms of constrained tripolar acetabular sockets used in revision total hip arthroplasty.

PubMed

Cooke, Christopher C; Hozack, William; Lavernia, Carlos; Sharkey, Peter; Shastri, Shani; Rothman, Richard H

2003-10-01

Fifty-eight patients received an Osteonics constrained acetabular implant for recurrent instability (46), girdlestone reimplant (8), correction of leg lengthening (3), and periprosthetic fracture (1). The constrained liner was inserted into a cementless shell (49), cemented into a pre-existing cementless shell (6), cemented into a cage (2), and cemented directly into the acetabular bone (1). Eight patients (13.8%) required reoperation for failure of the constrained implant. Type I failure (bone-prosthesis interface) occurred in 3 cases. Two cementless shells became loose, and in 1 patient, the constrained liner was cemented into an acetabular cage, which then failed by pivoting laterally about the superior fixation screws. Type II failure (liner locking mechanism) occurred in 2 cases. Type III failure (femoral head locking mechanism) occurred in 3 patients. Seven of the 8 failures occurred in patients with recurrent instability. Constrained liners are an effective method for treatment during revision total hip arthroplasty but should be used in select cases only.

Better band gaps with asymptotically corrected local exchange potentials

NASA Astrophysics Data System (ADS)

Singh, Prashant; Harbola, Manoj K.; Hemanadhan, M.; Mookerjee, Abhijit; Johnson, D. D.

2016-02-01

We formulate a spin-polarized van Leeuwen and Baerends (vLB) correction to the local density approximation (LDA) exchange potential [R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994), 10.1103/PhysRevA.49.2421] that enforces the ionization potential (IP) theorem following T. Stein et al. [Phys. Rev. Lett. 105, 266802 (2010), 10.1103/PhysRevLett.105.266802]. For electronic-structure problems, the vLB correction replicates the behavior of exact-exchange potentials, with improved scaling and well-behaved asymptotics, but with the computational cost of semilocal functionals. The vLB + IP correction produces a large improvement in the eigenvalues over those from the LDA due to correct asymptotic behavior and atomic shell structures, as shown in rare-gas, alkaline-earth, zinc-based oxides, alkali halides, sulfides, and nitrides. In half-Heusler alloys, this asymptotically corrected LDA reproduces the spin-polarized properties correctly, including magnetism and half-metallicity. We also consider finite-sized systems [e.g., ringed boron nitride (B12N12 ) and graphene (C24)] to emphasize the wide applicability of the method.

Better band gaps with asymptotically corrected local exchange potentials

DOE PAGES

Singh, Prashant; Harbola, Manoj K.; Hemanadhan, M.; ...

2016-02-22

In this study, we formulate a spin-polarized van Leeuwen and Baerends (vLB) correction to the local density approximation (LDA) exchange potential [R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994)] that enforces the ionization potential (IP) theorem following T. Stein et al. [Phys. Rev. Lett. 105, 266802 (2010)]. For electronic-structure problems, the vLB correction replicates the behavior of exact-exchange potentials, with improved scaling and well-behaved asymptotics, but with the computational cost of semilocal functionals. The vLB + IP correction produces a large improvement in the eigenvalues over those from the LDA due to correct asymptotic behaviormore » and atomic shell structures, as shown in rare-gas, alkaline-earth, zinc-based oxides, alkali halides, sulfides, and nitrides. In half-Heusler alloys, this asymptotically corrected LDA reproduces the spin-polarized properties correctly, including magnetism and half-metallicity. We also consider finite-sized systems [e.g., ringed boron nitride (B 12N 12) and graphene (C 24)] to emphasize the wide applicability of the method.« less

Single- and double- lumen silicone breast implant integrity: prospective evaluation of MR and US criteria.

PubMed

Berg, W A; Caskey, C I; Hamper, U M; Kuhlman, J E; Anderson, N D; Chang, B W; Sheth, S; Zerhouni, E A

1995-10-01

To evaluate the accuracy of magnetic resonance (MR) and ultrasound (US) criteria for breast implant integrity. One hundred twenty-two single-lumen silicone breast implants and 22 bilumen implants were evaluated with surface coil MR imaging and US and surgically removed. MR criteria for implant failure were a collapsed implant shell ("linguine sign"), foci of silicone outside the shell ("noose sign"), and extracapsular gel, US criteria were collapsed shell, low-level echoes within the gel, and "snowstorm" echoes of extracapsular silicone. Among single-lumen implants, MR imaging depicted 39 of 40 ruptures, 14 of 28 with minimal leakage; 49 of 54 intact implants were correctly interpreted. US depicted 26 of 40 ruptured implants, four of 28 with minimal leakage, and 30 of 54 intact implants. Among bilumen implants, MR imaging depicted four of five implants with rupture of both lumina and nine of 10 as intact; US depicted one rupture and helped identify two of 10 as intact. Mammography accurately depicted the status of 29 of 30 bilumen implants with MR imaging correlation. MR imaging depicts implant integrity more accurately than US; neither method reliably depicts minimal leakage with shell collapse. Mammography is useful in screening bilumen implant integrity.

Cross-shell excitations from the f p shell: Lifetime measurements in 61Zn

NASA Astrophysics Data System (ADS)

Queiser, M.; Vogt, A.; Seidlitz, M.; Reiter, P.; Togashi, T.; Shimizu, N.; Utsuno, Y.; Otsuka, T.; Honma, M.; Petkov, P.; Arnswald, K.; Altenkirch, R.; Birkenbach, B.; Blazhev, A.; Braunroth, T.; Dewald, A.; Eberth, J.; Fransen, C.; Fu, B.; Hess, H.; Hetzenegger, R.; Hirsch, R.; Jolie, J.; Karayonchev, V.; Kaya, L.; Lewandowski, L.; Müller-Gatermann, C.; Régis, J.-M.; Rosiak, D.; Schneiders, D.; Siebeck, B.; Steinbach, T.; Wolf, K.; Zell, K.-O.

2017-10-01

Lifetimes of excited states in the neutron-deficient nucleus 61Zn were measured employing the recoil-distance Doppler-shift (RDDS) and the electronic fast-timing methods at the University of Cologne. The nucleus of interest was populated as an evaporation residue in 40Ca(24Mg,n 2 p )61Zn and 58Ni(α ,n )61Zn reactions at 67 and 19 MeV, respectively. Five lifetimes were measured for the first time, including the lifetime of the 5 /21- isomer at 124 keV. Short lifetimes from the RDDS analysis are corrected for Doppler-shift attenuation (DSA) in the target and stopper foils. Ambiguous observations in previous measurements were resolved. The obtained lifetimes are compared to predictions from different sets of shell-model calculations in the f p , f5 /2p g9 /2 , and multishell f p -g9 /2d5 /2 model spaces. The band built on the 9 /21+ state exhibits a prolate deformation with β ≈0.24 . Especially, the inclusion of cross-shell excitation into the 1 d5 /2 orbital is found to be decisive for the description of collectivity in the first excited positive-parity band.

Gram-Scale Synthesized Pd2Co-Supported PtMonolayers Electrocatalysts for Oxygen Reduction Reaction

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

Zhou, W.P.; Sasaki, K.; Su, D.

2010-04-21

Gram-scale synthesis of Pt{sub ML} electrocatalysts with a well-defined core-shell structure has been carried out using method involving galvanic displacement of an underpotential deposition Cu layer. The Pt shell thickness can be controlled by stepwise deposition. The Pt{at}Pd{sub 2}Co/C nanoparticles were characterized by X-ray powder diffraction, aberration-corrected scanning transmission electron microscopy, high-resolution energy-loss spectrometry, and in situ X-ray absorption spectroscopy. A complete Pt shell of 0.6 nm on a Pd{sub 2}Co core has been confirmed. The Pt{at}Pd{sub 2}Co/C core-shell electrocatalysts showed a very high activity for the oxygen reduction reaction; the Pt mass and specific activity were 0.72 A mg{supmore » -1}{sub Pt} and 0.5 mA cm{sup -2}, respectively (3.5 and 2.5 times higher than the corresponding values for commercial Pt catalysts), at 0.9 V in 0.1 M HClO{sub 4} at room temperature. In an accelerated potential cycling test, a loss in active surface area and a decrease in catalytic activity for gram-scale-synthesized Pt{sub ML} catalysts were also determined.« less

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.

Active full-shell grazing-incidence optics

NASA Astrophysics Data System (ADS)

Roche, Jacqueline M.; Elsner, Ronald F.; Ramsey, Brian D.; O'Dell, Stephen L.; Kolodziejczak, Jeffrey J.; Weisskopf, Martin C.; Gubarev, Mikhail V.

2016-09-01

MSFC has a long history of developing full-shell grazing-incidence x-ray optics for both narrow (pointed) and wide field (surveying) applications. The concept presented in this paper shows the potential to use active optics to switch between narrow and wide-field geometries, while maintaining large effective area and high angular resolution. In addition, active optics has the potential to reduce errors due to mounting and manufacturing lightweight optics. The design presented corrects low spatial frequency error and has significantly fewer actuators than other concepts presented thus far in the field of active x-ray optics. Using a finite element model, influence functions are calculated using active components on a full-shell grazing-incidence optic. Next, the ability of the active optic to effect a change of optical prescription and to correct for errors due to manufacturing and mounting is modeled.

Active Full-Shell Grazing-Incidence Optics

NASA Technical Reports Server (NTRS)

Davis, Jacqueline M.; Elsner, Ronald F.; Ramsey, Brian D.; O'Dell, Stephen L.; Kolodziejczak, Jeffery; Weisskopf, Martin C.; Gubarev, Mikhail V.

2016-01-01

MSFC has a long history of developing full-shell grazing-incidence x-ray optics for both narrow (pointed) and wide field (surveying) applications. The concept presented in this paper shows the potential to use active optics to switch between narrow and wide-field geometries, while maintaining large effective area and high angular resolution. In addition, active optics has the potential to reduce errors due to mounting and manufacturing lightweight optics. The design presented corrects low spatial frequency error and has significantly fewer actuators than other concepts presented thus far in the field of active x-ray optics. Using a finite element model, influence functions are calculated using active components on a full-shell grazing-incidence optic. Next, the ability of the active optic to effect a change of optical prescription and to correct for errors due to manufacturing and mounting is modeled.

Propagation of flexural and membrane waves with fluid loaded NASTRAN plate and shell elements

NASA Technical Reports Server (NTRS)

Kalinowski, A. J.; Wagner, C. A.

1983-01-01

Modeling of flexural and membrane type waves existing in various submerged (or in vacuo) plate and/or shell finite element models that are excited with steady state type harmonic loadings proportioned to e(i omega t) is discussed. Only thin walled plates and shells are treated wherein rotary inertia and shear correction factors are not included. More specifically, the issue of determining the shell or plate mesh size needed to represent the spatial distribution of the plate or shell response is of prime importance towards successfully representing the solution to the problem at hand. To this end, a procedure is presented for establishing guide lines for determining the mesh size based on a simple test model that can be used for a variety of plate and shell configurations such as, cylindrical shells with water loading, cylindrical shells in vacuo, plates with water loading, and plates in vacuo. The procedure for doing these four cases is given, with specific numerical examples present only for the cylindrical shell case.

Theoretical and experimental determination of L -shell decay rates, line widths, and fluorescence yields in Ge

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Madeira, T. I.; Parente, F.; Indelicato, P.; Marques, J. P.; Santos, J. P.; Hoszowska, J.; Dousse, J.-Cl.; Loperetti, L.; Zeeshan, F.; Müller, M.; Unterumsberger, R.; Beckhoff, B.

2015-08-01

Fluorescence yields (FYs) for the Ge L shell were determined by a theoretical and two experimental groups within the framework of the International Initiative on X-Ray Fundamental Parameters Collaboration. Calculations were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental value of the L3FY ωL 3 was determined at the Physikalisch-Technische Bundesanstalt undulator beamline of the synchrotron radiation facility BESSY II in Berlin, Germany, and the L α1 ,2 and L β1 line widths were measured at the Swiss Light Source, Paul Scherrer Institute, Switzerland, using monochromatized synchrotron radiation and a von Hamos x-ray crystal spectrometer. The measured fluorescence yields and line widths are compared to the corresponding calculated values.

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

The Accuracy of Computer Image-Guided Template for Mandibular Angle Ostectomy.

PubMed

Ye, Niansong; Long, Hu; Zhu, Songsong; Yang, Yunqiang; Lai, Wenli; Hu, Jing

2015-02-01

Mandibular angle ostectomy (MAO) is commonly used to correct prominent mandibular angles through an intraoral approach. However, limited vision in the operative site may lead to difficulties or complications during surgery. Therefore, it is necessary to develop an effective method for helping surgeons to perform MAO more precisely and safely. In this study, we report a novel method of a computer image-guided surgical template for navigation of MAO, and evaluate its accuracy and clinical outcomes. Nine patients with a prominent mandibular angle were enrolled in this study. A pair of stereolithographic templates was fabricated by computer-aided image design and 3D printing. In all cases, bilateral MAO was performed under the guide of these templates. Post-operative effects were evaluated by 3D curve functions and maximal shell-to-shell deviations. All patients were satisfied with their cosmetic outcomes. The mean and SD of ICC between R-Sim and R-Post were 0.958 ± 0.011; between L-Sim and L-Post, 0.965 ± 0.014; and between R-Post and L-Post, 0.964 ± 0.013. The maximal shell-to-shell deviations between the simulated mandibular contour and post-operative mandibular contour on the right and left sides were 2.02 ± 0.32 and 1.97 ± 0.41 mm, respectively. The results of this study suggest that this new technique could assist surgeons in making better pre-surgical plans and ensure more accurate and safer manipulation for completion of this procedure.

Ocean Tidal Dynamics and Dissipation in the Thick Shell Worlds

NASA Astrophysics Data System (ADS)

Hay, H.; Matsuyama, I.

2017-12-01

Tidal dissipation in the subsurface oceans of icy satellites has so far only been explored in the limit of a free-surface ocean or under the assumption of a thin ice shell. Here we consider ocean tides in the opposite limit, under the assumption of an infinitely rigid, immovable, ice shell. This assumption forces the surface displacement of the ocean to remain zero, and requires the solution of a pressure correction to ensure that the ocean is mass conserving (divergence-free) at all times. This work investigates the effect of an infinitely rigid lid on ocean dynamics and dissipation, focusing on implications for the thick shell worlds Ganymede and Callisto. We perform simulations using a modified version of the numerical model Ocean Dissipation in Icy Satellites (ODIS), solving the momentum equations for incompressible shallow water flow under a degree-2 tidal forcing. The velocity solution to the momentum equations is updated iteratively at each time-step using a pressure correction to guarantee mass conservation everywhere, following a standard solution procedure originally used in solving the incompressible Navier-Stokes equations. We reason that any model that investigates ocean dynamics beneath a global ice layer should be tested in the limit of an immovable ice shell and must yield solutions that exhibit divergence-free flow at all times.

A shell approach for fibrous reinforcement forming simulations

NASA Astrophysics Data System (ADS)

Liang, B.; Colmars, J.; Boisse, P.

2018-05-01

Because of the slippage between fibers, the basic assumptions of classical plate and shell theories are not verified by fiber reinforcement during a forming. However, simulations of reinforcement forming use shell finite elements when wrinkles development is important. A shell formulation is proposed for the forming simulations of continuous fiber reinforcements. The large tensile stiffness leads to the quasi inextensibility in the fiber directions. The fiber bending stiffness determines the curvature of the reinforcement. The calculation of tensile and bending virtual works are based on the precise geometry of the single fiber. Simulations and experiments are compared for different reinforcements. It is shown that the proposed fibrous shell approach not only correctly simulates the deflections but also the rotations of the through thickness material normals.

Structure analysis for hole-nuclei close to 132Sn by a large-scale shell-model calculation

NASA Astrophysics Data System (ADS)

Wang, Han-Kui; Sun, Yang; Jin, Hua; Kaneko, Kazunari; Tazaki, Shigeru

2013-11-01

The structure of neutron-rich nuclei with a few holes in respect of the doubly magic nucleus 132Sn is investigated by means of large-scale shell-model calculations. For a considerably large model space, including orbitals allowing both neutron and proton core excitations, an effective interaction for the extended pairing-plus-quadrupole model with monopole corrections is tested through detailed comparison between the calculation and experimental data. By using the experimental energy of the core-excited 21/2+ level in 131In as a benchmark, monopole corrections are determined that describe the size of the neutron N=82 shell gap. The level spectra, up to 5 MeV of excitation in 131In, 131Sn, 130In, 130Cd, and 130Sn, are well described and clearly explained by couplings of single-hole orbitals and by core excitations.

Influence of corneal thickness on the intraocular pressure readings for Maklakoff's tonometer of different weight

NASA Astrophysics Data System (ADS)

Franus, D. V.

2018-05-01

Research is conducted into variation in the stress-strain state of the corneoscleral shell of the human eye under loading by a flat base stamp of varying weight. A three-dimensional finite-element model of the contact problem of loading of the corneoscleral shell in the ANSYS program package is presented. Cornea and sclera are modeled as conjugated transversely isotropic spherical shells. The cornea is modeled as a multilayer shell with variable thickness in which all modeled layers have their own individual elastic properties. The research deals with the numerical calculation of the diameter of the contact zone between the shell and the stamp. Values of correction coefficients for intraocular pressure are obtained depending on the thickness of the corneal shell in its center, allowing the true intraocular pressure to be determined more accurately.

Cloaks for suppression or enhancement of scattering of diffuse photon density waves

NASA Astrophysics Data System (ADS)

Renthlei, Lalruatfela; Ramakrishna, S. Anantha; Wanare, Harshawardhan

2018-07-01

Enhancement of wave-like characteristics of heavily damped diffuse photon density waves in a random medium by amplification can induce strongly localised resonances. These resonances can be used to either suppress or enhance scattering from an inhomogeneity in the random medium by cloaking the inhomogeneous region by a shell of random medium with the correct levels of absorption or amplification. A spherical core-shell structure consisting of a shell of a random amplifying medium is shown to enhance or suppress specific resonant modes. A shell with an absorbing random medium is also shown to suppress scattering which can also be used for cloaking the core region.

Application of the flow-through time-resolved analysis technique to trace element determination in ostracod shells

NASA Astrophysics Data System (ADS)

Börner, Nicole; De Baere, Bart; Francois, Roger; Frenzel, Peter; Schwalb, Antje

2014-05-01

Trace element analyses of ostracod shells are a vital tool for paleoenvironmental reconstructions from lake sediments (Börner et al., 2013). Conventional batch dissolution ICP-MS is the most common way for analyzing trace elements in ostracod shells. However, due to dissolution or secondary overgrowth the primary signal may be masked. Resulting variations in trace element composition have been identified to be in the order of a magnitude range. Therefore, the application of the newly developed flow-through technique will be assessed. The flow-through time-resolved analysis technique allows to chemically separate mineral phases of different solubility such as, in particular, original shell calcite from overgrowth calcite, and thus to correct the measurements for the biogenic signal. During a flow-through experiment, eluent is continuously pumped through a sample column, typically a filter in which the ostracod valves are loaded. The gradual dissolution of the substrate is controlled by a combination of eluent type, eluent temperature and eluent flow rate. The dissolved sample then flows directly to a mass spectrometer. The resulting data is a chromatogram, featuring different mineral phases dissolving as time progresses. Hence, the flow-through technique provides a detailed geochemical fingerprint of the substrate and therefore additional data relative to conventional methods. To calibrate this technique for the application to ostracods we use ostracod shells from Southern Tibetan Plateau lakes, which feature an alkaline environment but show highly diverse hydrochemistry. Cleaned as well as uncleaned ostracod shells show similarity in their trace element signals, allowing measurements without prior cleaning of the shells, and thus more time-efficient sample throughput. Measurements of unclean shells are corrected for the biogenic signal using an equation from Klinkhammer et al. (2004). Another advantage is that the measurements can be carried out on single ostracod shells, as not every single sediment sample contains enough adult intact specimens of all required genera, making batch cleaning dissolution impossible. The flow-through time-resolved analysis technique gives an accurate and high-resolution dataset. The trace elemental data for living ostracods compared to the hydrological data from each sampling site provides a calibration dataset for further hydrological and thus climatological reconstruction of a sediment core from Nam Co. Mg/Ca and Sr/Ca ratios in ostracod shells will provide information about past water temperature and salinity resulting from changes in precipitation vs. evaporation ratios and monsoon activity. Further, we will exploit Mn/Ca, Fe/Ca and U/Ca ratios as redox indicators to reconstruct oxygenation cycles and Ba/Ca ratios to detect changes in productivity and/or salinity. This reconstruction should provide a more extensive insight in past climatic change, e.g. precipitation - evaporation balance, lake level and circulation changes, and the recording of environmental signatures by ostracod shells. Börner, N., De Baere, B., Yang, Q., Jochum, K.P., Frenzel, P., Andreae, M.O., Schwalb, A., 2013. Ostracod shell chemistry as proxy for paleoenvironmental change. Quaternary International 313-314, 17-37. Klinkhammer, G.P., Haley, B.A., Mix, A.C., Benway, H., Cheseby, M., 2004. Evaluation of automated flow-through time-resolved analysis of foraminifera for Mg/Ca paleothermometry. Paleoceanography 19, PA4030.

A revised MRCI-algorithm. I. Efficient combination of spin adaptation with individual configuration selection coupled to an effective valence-shell Hamiltonian

NASA Astrophysics Data System (ADS)

Strodel, Paul; Tavan, Paul

2002-09-01

We present a revised multi-reference configuration interaction (MRCI) algorithm for balanced and efficient calculation of electronic excitations in molecules. The revision takes up an earlier method, which had been designed for flexible, state-specific, and individual selection (IS) of MRCI expansions, included perturbational corrections (PERT), and used the spin-coupled hole-particle formalism of Tavan and Schulten (1980) for matrix-element evaluation. It removes the deficiencies of this method by introducing tree structures, which code the CI bases and allow us to efficiently exploit the sparseness of the Hamiltonian matrices. The algorithmic complexity is shown to be optimal for IS/MRCI applications. The revised IS/MRCI/PERT module is combined with the effective valence shell Hamiltonian OM2 suggested by Weber and Thiel (2000). This coupling serves the purpose of making excited state surfaces of organic dye molecules accessible to relatively cheap and sufficiently precise descriptions.

Spontaneous Fission Barriers Based on a Generalized Liquid Drop Model

NASA Astrophysics Data System (ADS)

Guo, Shu-Qing; Bao, Xiao-Jun; Li, Jun-Qing; Zhang, Hong-Fei

2014-05-01

The barrier against the spontaneous fission has been determined within the Generalized Liquid Drop Model (GLDM) including the mass and charge asymmetry, and the proximity energy. The shell correction of the spherical parent nucleus is calculated by using the Strutinsky method, and the empirical shape-dependent shell correction is employed during the deformation process. A quasi-molecular shape sequence has been defined to describe the whole process from one-body shape to two-body shape system, and a two-touching-ellipsoid is adopted when the superdeformed one-body system reaches the rupture point. On these bases the spontaneous fission barriers are systematically studied for nuclei from 230Th to 249Cm for different possible exiting channels with the different mass and charge asymmetries. The double, and triple bumps are found in the fission potential energy in this region, which roughly agree with the experimental results. It is found that at around Sn-like fragment the outer fission barriers are lower, while the partner of the Sn-like fragment is in the range near 108Ru where the ground-state mass is lowered by allowing axially symmetric shapes. The preferable fission channels are distinctly pronounced, which should be corresponding to the fragment mass distributions.

Discovery of new TeV supernova remnant shells in the Galactic plane with H.E.S.S.

NASA Astrophysics Data System (ADS)

Gottschall, D.; Capasso, M.; Deil, C.; Djannati-Atai, A.; Donath, A.; Eger, P.; Marandon, V.; Maxted, N.; Pühlhofer, G.; Renaud, M.; Sasaki, M.; Terrier, R.; Vink, J.; H.E.S.S. Collaboration

2017-01-01

Supernova remnants (SNRs) are prime candidates for efficient particle acceleration up to the knee in the cosmic ray particle spectrum. In this work we present a new method for a systematic search for new TeV-emitting SNR shells in 2864 hours of H.E.S.S. phase I data used for the H.E.S.S. Galactic Plane Survey. This new method, which correctly identifies the known shell morphologies of the TeV SNRs covered by the survey, HESS J1731-347, RX 1713.7-3946, RCW 86, and Vela Junior, reveals also the existence of three new SNR candidates. All three candidates were extensively studied regarding their morphological, spectral, and multi-wavelength (MWL) properties. HESS J1534-571 was associated with the radio SNR candidate G323.7-1.0, and thus is classified as an SNR. HESS J1912+101 and HESS J1614-518, on the other hand, do not have radio or X-ray counterparts that would permit to identify them firmly as SNRs, and therefore they remain SNR candidates, discovered first at TeV energies as such. Further MWL follow up observations are needed to confirm that these newly discovered SNR candidates are indeed SNRs.

Renyi entropies of a black hole from Hawking radiation

NASA Astrophysics Data System (ADS)

Bialas, A.; Czyz, W.

2008-09-01

The Renyi entropies of a black hole are evaluated by counting the states of the Hawking radiation which fills a thin shell surrounding the horizon. The width of the shell is determined from its energy content and the corresponding mass defect. The Bekenstein-Hawking formula for the entropy of the black hole is correctly reproduced.

A partitioned correlation function interaction approach for describing electron correlation in atoms

NASA Astrophysics Data System (ADS)

Verdebout, S.; Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.; Godefroid, M.

2013-04-01

The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core-valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the MR function, the variational degrees of freedom in the relative mixing coefficients of the CSFs building the PCFs are inhibited. The constraints on the mixing coefficients lead to small off-sets in computed properties such as hyperfine structure, isotope shift and transition rates, with respect to the correct values. By (partially) deconstraining the mixing coefficients one converges to the correct limits and keeps the tremendous advantage of improved convergence rates that comes from the use of several orbital sets. Reducing ultimately each PCF to a single CSF with its own orbital basis leads to a non-orthogonal CI approach. Various perspectives of the new method are given.

Rayleigh, Compton and K-shell radiative resonant Raman scattering in 83Bi for 88.034 keV γ-rays

NASA Astrophysics Data System (ADS)

Kumar, Sanjeev; Sharma, Veena; Mehta, D.; Singh, Nirmal

2007-11-01

The Rayleigh, Compton and K-shell radiative resonant Raman scattering cross-sections for the 88.034 keV γ-rays have been measured in the 83Bi (K-shell binding energy = 90.526 keV) element. The measurements have been performed at 130° scattering angle using reflection-mode geometrical arrangement involving the 109Cd radioisotope as photon source and an LEGe detector. Computer simulations were exercised to determine distributions of the incident and emission angles, which were further used in evaluation of the absorption corrections for the incident and emitted photons in the target. The measured cross-sections for the Rayleigh scattering are compared with the modified form-factors (MFs) corrected for the anomalous-scattering factors (ASFs) and the S-matrix calculations; and those for the Compton scattering are compared with the Klein-Nishina cross-sections corrected for the non-relativistic Hartree-Fock incoherent scattering function S(x, Z). The ratios of the measured KL2, KL3, KM and KN2,3 radiative resonant Raman scattering cross-sections are found to be in general agreement with those of the corresponding measured fluorescence transition probabilities.

Some Comments on the Status of Shell Theory at the End of the 20th Century: Complaints and Correctives

NASA Technical Reports Server (NTRS)

Simmonds, James G.

1998-01-01

This review is divided into complaints and correctives. Complaints are directed at: sloppy refereeing and editing; authors who fail to read or acknowledge what others have done; the mis-naming or mis-crediting of results; the misunderstanding and misuse of the Kirchhoff hypothesis; inflated claims of accuracy based on overly-simplified benchmark problems; the failure to appreciate the inherent errors in various shell models; the failure to appreciate that the physical response and mathematical structure of shell theory are fundamentally different from 3-dimensional elasticity; and the irrelevance of Cosserat-type theories. Correctives include a simple, straight-forward derivation of a general nonlinear dynamic shell theory with the following features: (1) the equations of motion and kinematics (and those of thermodynamics, if desired) are exact consequences of their 3-dimensional counterparts; (2) there are no asymptotic or series expansions through the thickness; (3) all approximations (including the Kirchhoff Hypothesis) occur in the constitutive relations; (4) in static problems, there is a mixed form of the governing equations involving a mixed-energy density and exhibiting remnants of the well-known static-geometric duality of linear theory which is numerically robust because the limiting cases of nonlinear membrane theory and inextensional bending theory fall out naturally. (These latter two special cases are known to produce numerical nightmares unless treated with great care); and (5) all equations may be expressed in coordinate-free form (although, sometimes, a hybrid form is shown to be superior).

The singular behavior of massive QCD amplitudes

NASA Astrophysics Data System (ADS)

Mitov, Alexander; Moch, Sven-Olaf

2007-05-01

We discuss the structure of infrared singularities in on-shell QCD amplitudes with massive partons and present a general factorization formula in the limit of small parton masses. The factorization formula gives rise to an all-order exponentiation of both, the soft poles in dimensional regularization and the large collinear logarithms of the parton masses. Moreover, it provides a universal relation between any on-shell amplitude with massive external partons and its corresponding massless amplitude. For the form factor of a heavy quark we present explicit results including the fixed-order expansion up to three loops in the small mass limit. For general scattering processes we show how our constructive method applies to the computation of all singularities as well as the constant (mass-independent) terms of a generic massive n-parton QCD amplitude up to the next-to-next-to-leading order corrections.

Design and development of thin quartz glass WFXT polynomial mirror shells by direct polishing

NASA Astrophysics Data System (ADS)

Proserpio, L.; Campana, S.; Citterio, O.; Civitani, M.; Combrinck, H.; Conconi, P.; Cotroneo, V.; Freeman, R.; Langstrof, P.; Mattaini, E.; Morton, R.; Oberle, B.; Pareschi, G.; Parodi, G.; Pels, C.; Schenk, C.; Stock, R.; Tagliaferri, G.

2010-07-01

The Wide Field X-ray Telescope (WFXT) is a medium class mission for X-ray surveys of the sky with an unprecedented area and sensitivity. In order to meet the effective area requirement, the design of the optical system is based on very thin mirror shells, with thicknesses in the 1-2 mm range. In order to get the desired angular resolution (10 arcsec requirement, 5 arcsec goal) across the entire 1x1 degree FOV (Field Of View), the design of the optical system is based on nested modified grazing incidence Wolter-I mirrors realized with polynomial profiles, focal plane curvature and plate scale corrections. This design guarantees an increased angular resolution at large off-axis angle with respect to the normally used Wolter I configuration, making WFXT ideal for survey purposes. The WFXT X-ray Telescope Assembly is composed by three identical mirror modules of 78 nested shells each, with diameter up to 1.1 m. The epoxy replication process with SiC shells has already been proved to be a valuable technology to meet the angular resolution requirement of 10 arcsec. To further mature the telescope manufacturing technology and to achieve the goal of 5 arcsec, a deterministic direct polishing method is under investigation. The direct polishing method has already been used for past missions (as Einstein, Rosat, Chandra): the technological challenge now is to apply it for almost ten times thinner shells. Under investigation is quartz glass (fused silica), a well-known material with good thermo-mechanical and polishability characteristics that could meet our goal in terms of mass and stiffness, with significant cost and time saving with respect to SiC. Our approach is based on two main steps: first quartz glass tubes available on the market are grinded to conical profiles, and second the obtained shells are polished to the required polynomial profiles by CNC (Computer Numerical Control) polishing machine. In this paper, the first results of the direct grinding and polishing of prototypes shells made by quartz glass with low thickness, representative of the WFXT optical design, are presented.

Generic element processor (application to nonlinear analysis)

NASA Technical Reports Server (NTRS)

Stanley, Gary

1989-01-01

The focus here is on one aspect of the Computational Structural Mechanics (CSM) Testbed: finite element technology. The approach involves a Generic Element Processor: a command-driven, database-oriented software shell that facilitates introduction of new elements into the testbed. This shell features an element-independent corotational capability that upgrades linear elements to geometrically nonlinear analysis, and corrects the rigid-body errors that plague many contemporary plate and shell elements. Specific elements that have been implemented in the Testbed via this mechanism include the Assumed Natural-Coordinate Strain (ANS) shell elements, developed with Professor K. C. Park (University of Colorado, Boulder), a new class of curved hybrid shell elements, developed by Dr. David Kang of LPARL (formerly a student of Professor T. Pian), other shell and solid hybrid elements developed by NASA personnel, and recently a repackaged version of the workhorse shell element used in the traditional STAGS nonlinear shell analysis code. The presentation covers: (1) user and developer interfaces to the generic element processor, (2) an explanation of the built-in corotational option, (3) a description of some of the shell-elements currently implemented, and (4) application to sample nonlinear shell postbuckling problems.

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

Ford, A.L.; Reading, J.F.; Becker, R.L.

Theoretical methods used previously for H/sup +/, He/sup 2 +/, and C/sup 6 +/ collisions with neutral argon atoms have been applied to collisions of H/sup +/, He/sup 2 +/, and Li/sup 3 +/ projectiles with neon, and to collisions of H/sup +/ with carbon targets. The energy range covered by the calculations is 0.4 to 4.0 MeV/amu for the neon target, and 0.2 to 2.0 MeV/amu for carbon. We calculate single-electron amplitudes for target K-shell ionization and target K- and L-shell, to projectile K-shell, charge transfer. These single-electron amplitudes are used, in an independent-particle model that allows for multielectronmore » processes, to compute K-shell vacancy production cross sections sigma/sup IPM//sub V/K, and cross sections sigma/sup IPM//sub C/,VK for producing a charge-transfer state of the projectile in the coincidence with a K-shell vacancy in the target. These cross sections are in reasonable agreement with the recent experiments of Rodbro et al. at Aarhus. In particular, the calculated, as well as the experimental, sigma/sub C/,VK scale with projectile nuclear charge Z/sub p/ less strongly than the Z/sup 5//sub p/ of the Oppenheimer-Brinkman-Kramers (OBK) approximation. For He/sup 2 +/ and Li/sup 3 +/ projectiles at collision energies below where experimental data are available, our calculated multielectron corrections to the single-electron approximation for sigma/sub C/,VK are large.« less

In-Flight Aeroelastic Stability of the Thermal Protection System on the NASA HIAD, Part II: Nonlinear Theory and Extended Aerodynamics

NASA Technical Reports Server (NTRS)

Goldman, Benjamin D.; Dowell, Earl H.; Scott, Robert C.

2015-01-01

Conical shell theory and a supersonic potential flow aerodynamic theory are used to study the nonlinear pressure buckling and aeroelastic limit cycle behavior of the thermal protection system for NASA's Hypersonic Inflatable Aerodynamic Decelerator. The structural model of the thermal protection system consists of an orthotropic conical shell of the Donnell type, resting on several circumferential elastic supports. Classical Piston Theory is used initially for the aerodynamic pressure, but was found to be insufficient at low supersonic Mach numbers. Transform methods are applied to the convected wave equation for potential flow, and a time-dependent aerodynamic pressure correction factor is obtained. The Lagrangian of the shell system is formulated in terms of the generalized coordinates for all displacements and the Rayleigh-Ritz method is used to derive the governing differential-algebraic equations of motion. Aeroelastic limit cycle oscillations and buckling deformations are calculated in the time domain using a Runge-Kutta method in MATLAB. Three conical shell geometries were considered in the present analysis: a 3-meter diameter 70 deg. cone, a 3.7-meter 70 deg. cone, and a 6-meter diameter 70 deg. cone. The 6-meter configuration was loaded statically and the results were compared with an experimental load test of a 6-meter HIAD. Though agreement between theoretical and experimental strains was poor, the circumferential wrinkling phenomena observed during the experiments was captured by the theory and axial deformations were qualitatively similar in shape. With Piston Theory aerodynamics, the nonlinear flutter dynamic pressures of the 3-meter configuration were in agreement with the values calculated using linear theory, and the limit cycle amplitudes were generally on the order of the shell thickness. The effect of axial tension was studied for this configuration, and increasing tension was found to decrease the limit cycle amplitudes when the circumferential elastic supports were neglected, but resulted in more complex behavior when the supports were included. The nominal flutter dynamic pressure of the 3.7-meter configuration was significantly lower than that of the 3-meter, and it was found that two sets of natural modes coalesce to flutter modes near the same dynamic pressure. This resulted in a significant drop in the limit cycle frequencies at higher dynamic pressures, where the flutter mode with the lower frequency becomes more critical. Pre-buckling pressure loads and the aerodynamic pressure correction factor were studied for all geometries, and these effects resulted in significantly lower flutter boundaries compared with Piston Theory alone. The maximum dynamic pressure predicted by aerodynamic simulations of a proposed 3.7-meter HIAD vehicle was still lower than any of the calculated flutter dynamic pressures, suggesting that aeroelastic effects for this vehicle are of little concern.

Luminosity distance in ``Swiss cheese'' cosmology with randomized voids. II. Magnification probability distributions

NASA Astrophysics Data System (ADS)

Flanagan, Éanna É.; Kumar, Naresh; Wasserman, Ira; Vanderveld, R. Ali

2012-01-01

We study the fluctuations in luminosity distances due to gravitational lensing by large scale (≳35Mpc) structures, specifically voids and sheets. We use a simplified “Swiss cheese” model consisting of a ΛCDM Friedman-Robertson-Walker background in which a number of randomly distributed nonoverlapping spherical regions are replaced by mass-compensating comoving voids, each with a uniform density interior and a thin shell of matter on the surface. We compute the distribution of magnitude shifts using a variant of the method of Holz and Wald , which includes the effect of lensing shear. The standard deviation of this distribution is ˜0.027 magnitudes and the mean is ˜0.003 magnitudes for voids of radius 35 Mpc, sources at redshift zs=1.0, with the voids chosen so that 90% of the mass is on the shell today. The standard deviation varies from 0.005 to 0.06 magnitudes as we vary the void size, source redshift, and fraction of mass on the shells today. If the shell walls are given a finite thickness of ˜1Mpc, the standard deviation is reduced to ˜0.013 magnitudes. This standard deviation due to voids is a factor ˜3 smaller than that due to galaxy scale structures. We summarize our results in terms of a fitting formula that is accurate to ˜20%, and also build a simplified analytic model that reproduces our results to within ˜30%. Our model also allows us to explore the domain of validity of weak-lensing theory for voids. We find that for 35 Mpc voids, corrections to the dispersion due to lens-lens coupling are of order ˜4%, and corrections due to shear are ˜3%. Finally, we estimate the bias due to source-lens clustering in our model to be negligible.

Nonlinear Local Bending Response and Bulging Factors for Longitudinal and Circumferential Cracks in Pressurized Cylindrical Shells

NASA Technical Reports Server (NTRS)

Young, Richard D.; Rose, Cheryl A.; Starnes, James H., Jr.

2000-01-01

Results of a geometrically nonlinear finite element parametric study to determine curvature correction factors or bulging factors that account for increased stresses due to curvature for longitudinal and circumferential cracks in unstiffened pressurized cylindrical shells are presented. Geometric parameters varied in the study include the shell radius, the shell wall thickness, and the crack length. The major results are presented in the form of contour plots of the bulging factor as a function of two nondimensional parameters: the shell curvature parameter, lambda, which is a function of the shell geometry, Poisson's ratio, and the crack length; and a loading parameter, eta, which is a function of the shell geometry, material properties, and the applied internal pressure. These plots identify the ranges of the shell curvature and loading parameters for which the effects of geometric nonlinearity are significant. Simple empirical expressions for the bulging factor are then derived from the numerical results and shown to predict accurately the nonlinear response of shells with longitudinal and circumferential cracks. The numerical results are also compared with analytical solutions based on linear shallow shell theory for thin shells, and with some other semi-empirical solutions from the literature, and limitations on the use of these other expressions are suggested.

Biomaterial shell bending with 3D-printed templates in vertical and alveolar ridge augmentation: a technical note.

PubMed

Draenert, Florian G; Gebhart, Florian; Mitov, Gergo; Neff, Andreas

2017-06-01

Alveolar ridge and vertical augmentations are challenging procedures in dental implantology. Even material blocks with an interconnecting porous system are never completely resorbed. Shell techniques combined with autologous bone chips are therefore the gold standard. Using biopolymers for these techniques is well documented. We applied three-dimensional (3-D) techniques to create an individualized bending model for the adjustment of a plane biopolymer membrane made of polylactide. Two cases with a vertical alveolar ridge defect in the maxilla were chosen. The cone beam computed tomography data were processed with a 3-D slicer and the Autodesk Meshmixer to generate data about the desired augmentation result. STL data were used to print a bending model. A 0.2-mm poly-D, L-lactic acid membrane (KLS Matin Inc., Tuttlingen, Germany) was bended accordingly and placed into the defect via a tunnel approach in both cases. A mesh graft of autologous bone chips and hydroxylapatite material was augmented beneath the shell, which was fixed with osteosynthesis screws. The operative procedure was fast and without peri- or postoperative complications or complaints. The panoramic x-ray showed correct fitting of the material in the location. Bone quality at the time of implant placement was type II, resulting in good primary stability. A custom-made 3-D model for bending confectioned biomaterial pieces is an appropriate method for individualized adjustment in shell techniques. The advantages over direct printing of the biomaterial shell and products on the market, such as the Xyoss shell (Reoss Inc., Germany), include cost-efficiency and avoidance of regulatory issues. Copyright © 2016 Elsevier Inc. All rights reserved.

Fission fragment mass distributions from 210Po and 213At

NASA Astrophysics Data System (ADS)

Sen, A.; Ghosh, T. K.; Bhattacharya, S.; Banerjee, K.; Bhattacharya, C.; Kundu, S.; Mukherjee, G.; Asgar, A.; Dey, A.; Dhal, A.; Shaikh, Md. Moin; Meena, J. K.; Manna, S.; Pandey, R.; Rana, T. K.; Roy, Pratap; Roy, T.; Srivastava, V.; Bhattacharya, P.

2017-12-01

Background: The influence of shell effect on the dynamics of the fusion fission process and its evolution with excitation energy in the preactinide Hg-Pb region in general is a matter of intense research in recent years. In particular, a strong ambiguity remains for the neutron shell closed 210Po nucleus regarding the role of shell effect in fission around ≈30 -40 MeV of excitation energy. Purpose: We have measured the fission fragment mass distribution of 210Po populated using fusion of 4He+206Pb at different excitation energies and compare the result with recent theoretical predictions as well as with our previous measurement for the same nucleus populated through a different entrance channel. Mass distribution in the fission of the neighboring nuclei 213At is also studied for comparison. Methods: Two large area multiwire proportional counters (MWPC) were used for complete kinematical measurement of the coincident fission fragments. The time of flight differences of the coincident fission fragments were used to directly extract the fission fragment mass distributions. Results: The measured fragment mass distribution for the reactions 4He+206Pb and 4He+209Bi were symmetric and the width of the mass distributions were found to increase monotonically with excitation energy above 36.7 MeV and 32.9 MeV, respectively, indicating the absence of shell effects at the saddle. However, in the fission of 210Po, we find minor deviation from symmetric mass distributions at the lowest excitation energy (30.8 MeV). Conclusion: Persistence of shell effect in fission fragment mass distribution of 210Po was observed at the excitation energy ≈31 MeV as predicted by the theory; at higher excitation energy, however, the present study reaffirms the absence of any shell correction in the fission of 210Po.

G7 BiSpherical Acetabular Shell PMCF Study

ClinicalTrials.gov

2017-11-22

Rheumatoid Arthritis; Osteoarthritis; Noninflammatory Degenerative Joint Disease; Avascular Necrosis; Correction of Functional Deformity; Non-Union Fracture; Femoral Neck Fractures; Trochanteric Fractures

Kinetics and thermodynamics studies of silver ions adsorption onto coconut shell activated carbon.

PubMed

Silva-Medeiros, Flávia V; Consolin-Filho, Nelson; Xavier de Lima, Mateus; Bazzo, Fernando Previato; Barros, Maria Angélica S D; Bergamasco, Rosângela; Tavares, Célia R G

2016-12-01

The presence of silver in the natural water environment has been of great concern because of its toxicity, especially when it is in the free ion form (Ag(+)). This paper aims to study the adsorption kinetics of silver ions from an aqueous solution onto coconut shell activated carbon using batch methods. Batch kinetic data were fitted to the first-order model and the pseudo-second-order model, and this last equation fits correctly the experimental data. Equilibrium experiments were carried out at 30°C, 40°C, and 50°C. The adsorption isotherms were reasonably fit using Langmuir model, and the adsorption process was slightly influenced by changes in temperature. Thermodynamic parameters (ΔH°, ΔG°, and ΔS°) were determined. The adsorption process seems to be non-favorable, exothermic, and have an increase in the orderness.

An Aeroelastic Evaluation of the Flexible Thermal Protection System for an Inatable Aerodynamic Decelerator

NASA Astrophysics Data System (ADS)

Goldman, Benjamin D.

The purpose of this dissertation is to study the aeroelastic stability of a proposed flexible thermal protection system (FTPS) for the NASA Hypersonic Inflatable Aerodynamic Decelerator (HIAD). A flat, square FTPS coupon exhibits violent oscillations during experimental aerothermal testing in NASA's 8 Foot High Temperature Tunnel, leading to catastrophic failure. The behavior of the structural response suggested that aeroelastic flutter may be the primary instability mechanism, prompting further experimental investigation and theoretical model development. Using Von Karman's plate theory for the panel-like structure and piston theory aerodynamics, a set of aeroelastic models were developed and limit cycle oscillations (LCOs) were calculated at the tunnel flow conditions. Similarities in frequency content of the theoretical and experimental responses indicated that the observed FTPS oscillations were likely aeroelastic in nature, specifically LCO/flutter. While the coupon models can be used for comparison with tunnel tests, they cannot predict accurately the aeroelastic behavior of the FTPS in atmospheric flight. This is because the geometry of the flight vehicle is no longer a flat plate, but rather (approximately) a conical shell. In the second phase of this work, linearized Donnell conical shell theory and piston theory aerodynamics are used to calculate natural modes of vibration and flutter dynamic pressures for various structural models composed of one or more conical shells resting on several circumferential elastic supports. When the flight vehicle is approximated as a single conical shell without elastic supports, asymmetric flutter in many circumferential waves is observed. When the elastic supports are included, the shell flutters symmetrically in zero circumferential waves. Structural damping is found to be important in this case, as "hump-mode" flutter is possible. Aeroelastic models that consider the individual FTPS layers as separate shells exhibit asymmetric flutter at high dynamic pressures relative to the single shell models. Parameter studies also examine the effects of tension, shear modulus reduction, and elastic support stiffness. Limitations of a linear structural model and piston theory aerodynamics prompted a more elaborate evaluation of the flight configuration. Using nonlinear Donnell conical shell theory for the FTPS structure, the pressure buckling and aeroelastic limit cycle oscillations were studied for a single elastically-supported conical shell. While piston theory was used initially, a time-dependent correction factor was derived using transform methods and potential flow theory to calculate more accurately the low Mach number supersonic flow. Three conical shell geometries were considered: a 3-meter diameter 70° shell, a 3.7-meter 70° shell, and a 6-meter diameter 70° shell. The 6-meter configuration was loaded statically and the results were compared with an experimental load test of a 6-meter HIAD vehicle. Though agreement between theoretical and experimental strains was poor, circumferential wrinkling phenomena observed during the experiments was captured by the theory and axial deformations were qualitatively similar in shape. With piston theory aerodynamics, the nonlinear flutter dynamic pressures of the 3-meter configuration were in agreement with the values calculated using linear theory, and the limit cycle amplitudes were generally on the order of the shell thickness. Pre-buckling pressure loads and the aerodynamic pressure correction factor were studied for all geometries, and these effects resulted in significantly lower flutter boundaries compared with piston theory alone. In the final phase of this work, the existing linear and nonlinear FTPS shell models were coupled with NASA's FUN3D Reynolds Averaged Navier Stokes CFD code, allowing for the most physically realistic flight predictions. For the linear shell structural model, the elastically-supported shell natural modes were mapped to a CFD grid of a 6-meter HIAD vehicle, and a linear structural dynamics solver internal to the CFD code was used to compute the aeroelastic response. Aerodynamic parameters for a proposed HIAD re-entry trajectory were obtained, and aeroelastic solutions were calculated at three points in the trajectory: Mach 1, Mach 2, and Mach 11 (peak dynamic pressure). No flutter was found at any of these conditions using the linear method, though oscillations (of uncertain origin) on the order of the shell thickness may be possible in the transonic regime. For the nonlinear shell structural model, a set of assumed sinusoidal modes were mapped to the CFD grid, and the linear structural dynamics equations were replaced by a nonlinear ODE solver for the conical shell equations. Successful calculation and restart of the nonlinear dynamic aeroelastic solutions was demonstrated. Preliminary results indicated that dynamic instabilities may be possible at Mach 1 and 2, with a completely stable solution at Mach 11, though further study is needed. A major benefit of this implementation is that the coefficients and mode shapes for the nonlinear conical shell may be replaced with those of other types of structures, greatly expanding the aeroelastic capabilities of FUN3D.

Atomic Data for the K-vacancy States of Fe XXIV

NASA Technical Reports Server (NTRS)

Bautista, M. A.; Mendoza, C.; Kallman, T. R.; Palmeri, P.

2003-01-01

As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

Techniques for the treatment of IR divergences in decay processes at NLO and application to the top-quark decay.

PubMed

Basso, Lorenzo; Dittmaier, Stefan; Huss, Alexander; Oggero, Luisa

We present the extension of two general algorithms for the treatment of infrared singularities arising in electroweak corrections to decay processes at next-to-leading order: the dipole subtraction formalism and the one-cutoff slicing method. The former is extended to the case of decay kinematics which has not been considered in the literature so far. The latter is generalised to production and decay processes with more than two charged particles, where new "surface" terms arise. Arbitrary patterns of massive and massless external particles are considered, including the treatment of infrared singularities in dimensional or mass regularisation. As an application of the two techniques we present the calculation of the next-to-leading order QCD and electroweak corrections to the top-quark decay width including all off-shell and decay effects of intermediate [Formula: see text] bosons. The result, e.g., represents a building block of a future calculation of NLO electroweak effects to off-shell top-quark pair ([Formula: see text]) production. Moreover, this calculation can serve as the first step towards an event generator for top-quark decays at next-to-leading order accuracy, which can be used to attach top-quark decays to complicated many-particle top-quark processes, such as for [Formula: see text] or [Formula: see text].

Atomic Data for the K-Vacancy States of Fe XXIV

NASA Technical Reports Server (NTRS)

Bautista, M. A.; Mendoza, C.; Kallman, T. R.; Palmeri, P.

2002-01-01

As part of a project to compute improved atomic data for the spectral modeling of iron K lines, we report extensive calculations and comparisons of atomic data for K-vacancy states in Fe XXIV. The data sets include: (i) energy levels, line wavelengths, radiative and Auger rates; (ii) inner-shell electron impact excitation rates and (iii) fine structure inner-shell photoionization cross sections. The calculations of energy levels and radiative and Auger rates have involved a detailed study of orbital representations, core relaxation, configuration interaction, relativistic corrections, cancellation effects and semi-empirical corrections. It is shown that a formal treatment of the Breit interaction is essential to render the important magnetic correlations that take part in the decay pathways of this ion. As a result, the accuracy of the present A-values is firmly ranked at better than 10% while that of the Auger rates at only 15%. The calculations of collisional excitation and photoionization cross sections take into account the effects of radiation and spectator Auger dampings. In the former, these effects cause significant attenuation of resonances leading to a good agreement with a simpler method where resonances are excluded. In the latter, resonances converging to the K threshold display symmetric profiles of constant width that causes edge smearing.

Structural and electronic properties of CdS/ZnS core/shell nanowires: A first-principles study

NASA Astrophysics Data System (ADS)

Kim, Hyo Seok; Kim, Yong-Hoon

2015-03-01

Carrying out density functional theory (DFT) calculation, we studied the relative effects of quantum confinement and strain on the electronic structures of II-IV semiconductor compounds with a large lattice-mismatch, CdS and ZnS, in the core/shell nanowire geometry. We considered different core radii and shell thickness of the CdS/ZnS core/shell nanowire, different surface facets, and various defects in the core/shell interface and surface regions. To properly describe the band level alignment at the core/shell boundary, we adopted the self-interaction correction (SIC)-DFT scheme. Implications of our findings in the context of device applications will be also discussed. This work was supported by the Basic Science Research Grant (No. 2012R1A1A2044793), Global Frontier Program (No. 2013-073298), and Nano-Material Technology Development Program (2012M3A7B4049888) of the National Research Foundation funded by the Ministry of Education, Science and Technology of Korea. Corresponding author

Erratum: Erratum: Annealing effect of fluorine-doped SnO2/WO3 core-shell inverse opal nanoarchitecture for photoelectrochemical water splitting

NASA Astrophysics Data System (ADS)

Cho, Seo Yoon; Kang, Soon Hyung; Yun, Gun; Balamurugan, Maheswari; Ahn, Kwang-Soon

2018-03-01

In the version of this article initially published, the name of co- author Maheswari was incorrect. The correct name is Maheswari Arunachalam. The error has been corrected in the HTML and PDF versions of the article.

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

A model for large amplitude oscillations of coated bubbles accounting for buckling and rupture

NASA Astrophysics Data System (ADS)

Marmottant, Philippe; van der Meer, Sander; Emmer, Marcia; Versluis, Michel; de Jong, Nico; Hilgenfeldt, Sascha; Lohse, Detlef

2005-12-01

We present a model applicable to ultrasound contrast agent bubbles that takes into account the physical properties of a lipid monolayer coating on a gas microbubble. Three parameters describe the properties of the shell: a buckling radius, the compressibility of the shell, and a break-up shell tension. The model presents an original non-linear behavior at large amplitude oscillations, termed compression-only, induced by the buckling of the lipid monolayer. This prediction is validated by experimental recordings with the high-speed camera Brandaris 128, operated at several millions of frames per second. The effect of aging, or the resultant of repeated acoustic pressure pulses on bubbles, is predicted by the model. It corrects a flaw in the shell elasticity term previously used in the dynamical equation for coated bubbles. The break-up is modeled by a critical shell tension above which gas is directly exposed to water.

Constraints on the off-shell Higgs boson signal strength in the high-mass ZZ and WW final states with the ATLAS detector

NASA Astrophysics Data System (ADS)

Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Aben, R.; Abolins, M.; AbouZeid, O. S.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Aguilar-Saavedra, J. A.; Agustoni, M.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimoto, G.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Alimonti, G.; Alio, L.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Altheimer, A.; Alvarez Gonzalez, B.; Piqueras, D. Álvarez; Alviggi, M. G.; Amako, K.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amram, N.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, G.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Anger, P.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antonelli, M.; Antonov, A.; Antos, J.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Arnaez, O.; Arnal, V.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Auerbach, B.; Augsten, K.; Aurousseau, M.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Bacci, C.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Badescu, E.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Bain, T.; Baines, J. T.; Baker, O. K.; Balek, P.; Balestri, T.; Balli, F.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Bansil, H. S.; Barak, L.; Baranov, S. P.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barisonzi, M.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Bassalat, A.; Basye, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Beccherle, R.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Becker, S.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bee, C. P.; Beemster, L. J.; Beermann, T. A.; Begel, M.; Behr, J. K.; Belanger-Champagne, C.; Bell, W. H.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez Garcia, J. A.; Benjamin, D. P.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Berghaus, F.; Beringer, J.; Bernard, C.; Bernard, N. R.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertsche, C.; Bertsche, D.; Besana, M. I.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethke, S.; Bevan, A. J.; Bhimji, W.; Bianchi, R. M.; Bianchini, L.; Bianco, M.; Biebel, O.; Bieniek, S. P.; Biglietti, M.; Bilbao De Mendizabal, J.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Black, C. W.; Black, J. E.; Black, K. M.; Blackburn, D.; Blair, R. E.; Blanchard, J.-B.; Blanco, J. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blum, W.; Blumenschein, U.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Bogaerts, J. A.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bold, T.; Boldea, V.; Boldyrev, A. S.; Bomben, M.; Bona, M.; Boonekamp, M.; Borisov, A.; Borissov, G.; Borroni, S.; Bortfeldt, J.; Bortolotto, V.; Bos, K.; Boscherini, D.; Bosman, M.; Boudreau, J.; Bouffard, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Bousson, N.; Boutouil, S.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bozic, I.; Bracinik, J.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Braun, H. M.; Brazzale, S. F.; Brendlinger, K.; Brennan, A. J.; Brenner, L.; Brenner, R.; Bressler, S.; Bristow, K.; Bristow, T. M.; Britton, D.; Britzger, D.; Brochu, F. M.; Brock, I.; Brock, R.; Bronner, J.; Brooijmans, G.; Brooks, T.; Brooks, W. K.; Brosamer, J.; Brost, E.; Brown, J.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Bruni, A.; Bruni, G.; Bruschi, M.; Bryngemark, L.; Buanes, T.; Buat, Q.; Buchholz, P.; Buckley, A. G.; Buda, S. I.; Budagov, I. A.; Buehrer, F.; Bugge, L.; Bugge, M. K.; Bulekov, O.; Burckhart, H.; Burdin, S.; Burghgrave, B.; Burke, S.; Burmeister, I.; Busato, E.; Büscher, D.; Büscher, V.; Bussey, P.; Buszello, C. P.; Butler, J. M.; Butt, A. I.; Buttar, C. M.; Butterworth, J. M.; Butti, P.; Buttinger, W.; Buzatu, A.; Buzykaev, R.; Cabrera Urbán, S.; Caforio, D.; Cakir, O.; Calafiura, P.; Calandri, A.; Calderini, G.; Calfayan, P.; Caloba, L. P.; Calvet, D.; Calvet, S.; Camacho Toro, R.; Camarda, S.; Cameron, D.; Caminada, L. M.; Caminal Armadans, R.; Campana, S.; Campanelli, M.; Campoverde, A.; Canale, V.; Canepa, A.; Cano Bret, M.; Cantero, J.; Cantrill, R.; Cao, T.; Capeans Garrido, M. D. M.; Caprini, I.; Caprini, M.; Capua, M.; Caputo, R.; Cardarelli, R.; Carli, T.; Carlino, G.; Carminati, L.; Caron, S.; Carquin, E.; Carrillo-Montoya, G. D.; Carter, J. R.; Carvalho, J.; Casadei, D.; Casado, M. P.; Casolino, M.; Castaneda-Miranda, E.; Castelli, A.; Castillo Gimenez, V.; Castro, N. F.; Catastini, P.; Catinaccio, A.; Catmore, J. R.; Cattai, A.; Caudron, J.; Cavaliere, V.; Cavalli, D.; Cavalli-Sforza, M.; Cavasinni, V.; Ceradini, F.; Cerio, B. C.; Cerny, K.; Cerqueira, A. S.; Cerri, A.; Cerrito, L.; Cerutti, F.; Cerv, M.; Cervelli, A.; Cetin, S. A.; Chafaq, A.; Chakraborty, D.; Chalupkova, I.; Chang, P.; Chapleau, B.; Chapman, J. D.; Charlton, D. G.; Chau, C. C.; Chavez Barajas, C. A.; Cheatham, S.; Chegwidden, A.; Chekanov, S.; Chekulaev, S. V.; Chelkov, G. A.; Chelstowska, M. A.; Chen, C.; Chen, H.; Chen, K.; Chen, L.; Chen, S.; Chen, X.; Chen, Y.; Cheng, H. C.; Cheng, Y.; Cheplakov, A.; Cheremushkina, E.; Cherkaoui El Moursli, R.; Chernyatin, V.; Cheu, E.; Chevalier, L.; Chiarella, V.; Childers, J. T.; Chiodini, G.; Chisholm, A. S.; Chislett, R. T.; Chitan, A.; Chizhov, M. V.; Choi, K.; Chouridou, S.; Chow, B. K. B.; Christodoulou, V.; Chromek-Burckhart, D.; Chu, M. L.; Chudoba, J.; Chuinard, A. J.; Chwastowski, J. J.; Chytka, L.; Ciapetti, G.; Ciftci, A. K.; Cinca, D.; Cindro, V.; Cioara, I. A.; Ciocio, A.; Citron, Z. H.; Ciubancan, M.; Clark, A.; Clark, B. L.; Clark, P. J.; Clarke, R. N.; Cleland, W.; Clement, C.; Coadou, Y.; Cobal, M.; Coccaro, A.; Cochran, J.; Coffey, L.; Cogan, J. G.; Cole, B.; Cole, S.; Colijn, A. P.; Collot, J.; Colombo, T.; Compostella, G.; Conde Muiño, P.; Coniavitis, E.; Connell, S. H.; Connelly, I. A.; Consonni, S. M.; Consorti, V.; Constantinescu, S.; Conta, C.; Conti, G.; Conventi, F.; Cooke, M.; Cooper, B. D.; Cooper-Sarkar, A. M.; Copic, K.; Cornelissen, T.; Corradi, M.; Corriveau, F.; Corso-Radu, A.; Cortes-Gonzalez, A.; Cortiana, G.; Costa, G.; Costa, M. J.; Costanzo, D.; Côté, D.; Cottin, G.; Cowan, G.; Cox, B. E.; Cranmer, K.; Cree, G.; Crépé-Renaudin, S.; Crescioli, F.; Cribbs, W. A.; Crispin Ortuzar, M.; Cristinziani, M.; Croft, V.; Crosetti, G.; Cuhadar Donszelmann, T.; Cummings, J.; Curatolo, M.; Cuthbert, C.; Czirr, H.; Czodrowski, P.; D'Auria, S.; D'Onofrio, M.; Cunha Sargedas De Sousa, M. J. Da; Via, C. Da; Dabrowski, W.; Dafinca, A.; Dai, T.; Dale, O.; Dallaire, F.; Dallapiccola, C.; Dam, M.; Dandoy, J. R.; Daniells, A. C.; Danninger, M.; Dano Hoffmann, M.; Dao, V.; Darbo, G.; Darmora, S.; Dassoulas, J.; Dattagupta, A.; Davey, W.; David, C.; Davidek, T.; Davies, E.; Davies, M.; Davison, P.; Davygora, Y.; Dawe, E.; Dawson, I.; Daya-Ishmukhametova, R. K.; De, K.; de Asmundis, R.; De Castro, S.; De Cecco, S.; De Groot, N.; de Jong, P.; De la Torre, H.; De Lorenzi, F.; De Nooij, L.; De Pedis, D.; De Salvo, A.; De Sanctis, U.; De Santo, A.; De Vivie De Regie, J. B.; Dearnaley, W. J.; Debbe, R.; Debenedetti, C.; Dedovich, D. V.; Deigaard, I.; Del Peso, J.; Del Prete, T.; Delgove, D.; Deliot, F.; Delitzsch, C. M.; Deliyergiyev, M.; Dell'Acqua, A.; Dell'Asta, L.; Dell'Orso, M.; Della Pietra, M.; della Volpe, D.; Delmastro, M.; Delsart, P. A.; Deluca, C.; DeMarco, D. A.; Demers, S.; Demichev, M.; Demilly, A.; Denisov, S. P.; Derendarz, D.; Derkaoui, J. E.; Derue, F.; Dervan, P.; Desch, K.; Deterre, C.; Deviveiros, P. O.; Dewhurst, A.; Dhaliwal, S.; Di Ciaccio, A.; Di Ciaccio, L.; Di Domenico, A.; Di Donato, C.; Di Girolamo, A.; Di Girolamo, B.; Di Mattia, A.; Di Micco, B.; Di Nardo, R.; Di Simone, A.; Di Sipio, R.; Di Valentino, D.; Diaconu, C.; Diamond, M.; Dias, F. A.; Diaz, M. A.; Diehl, E. B.; Dietrich, J.; Diglio, S.; Dimitrievska, A.; Dingfelder, J.; Dita, P.; Dita, S.; Dittus, F.; Djama, F.; Djobava, T.; Djuvsland, J. I.; do Vale, M. A. B.; Dobos, D.; Dobre, M.; Doglioni, C.; Dohmae, T.; Dolejsi, J.; Dolezal, Z.; Dolgoshein, B. A.; Donadelli, M.; Donati, S.; Dondero, P.; Donini, J.; Dopke, J.; Doria, A.; Dova, M. T.; Doyle, A. T.; Drechsler, E.; Dris, M.; Dubreuil, E.; Duchovni, E.; Duckeck, G.; Ducu, O. A.; Duda, D.; Dudarev, A.; Duflot, L.; Duguid, L.; Dührssen, M.; Dunford, M.; Duran Yildiz, H.; Düren, M.; Durglishvili, A.; Duschinger, D.; Dwuznik, M.; Dyndal, M.; Eckardt, C.; Ecker, K. M.; Edson, W.; Edwards, N. C.; Ehrenfeld, W.; Eifert, T.; Eigen, G.; Einsweiler, K.; Ekelof, T.; El Kacimi, M.; Ellert, M.; Elles, S.; Ellinghaus, F.; Elliot, A. A.; Ellis, N.; Elmsheuser, J.; Elsing, M.; Emeliyanov, D.; Enari, Y.; Endner, O. C.; Endo, M.; Engelmann, R.; Erdmann, J.; Ereditato, A.; Ernis, G.; Ernst, J.; Ernst, M.; Errede, S.; Ertel, E.; Escalier, M.; Esch, H.; Escobar, C.; Esposito, B.; Etienvre, A. I.; Etzion, E.; Evans, H.; Ezhilov, A.; Fabbri, L.; Facini, G.; Fakhrutdinov, R. M.; Falciano, S.; Falla, R. J.; Faltova, J.; Fang, Y.; Fanti, M.; Farbin, A.; Farilla, A.; Farooque, T.; Farrell, S.; Farrington, S. M.; Farthouat, P.; Fassi, F.; Fassnacht, P.; Fassouliotis, D.; Favareto, A.; Fayard, L.; Federic, P.; Fedin, O. L.; Fedorko, W.; Feigl, S.; Feligioni, L.; Feng, C.; Feng, E. J.; Feng, H.; Fenyuk, A. B.; Martinez, P. Fernandez; Fernandez Perez, S.; Ferrag, S.; Ferrando, J.; Ferrari, A.; Ferrari, P.; Ferrari, R.; Ferreira de Lima, D. E.; Ferrer, A.; Ferrere, D.; Ferretti, C.; Ferretto Parodi, A.; Fiascaris, M.; Fiedler, F.; Filipčič, A.; Filipuzzi, M.; Filthaut, F.; Fincke-Keeler, M.; Finelli, K. D.; Fiolhais, M. C. N.; Fiorini, L.; Firan, A.; Fischer, A.; Fischer, C.; Fischer, J.; Fisher, W. C.; Fitzgerald, E. A.; Flechl, M.; Fleck, I.; Fleischmann, P.; Fleischmann, S.; Fletcher, G. T.; Fletcher, G.; Flick, T.; Floderus, A.; Flores Castillo, L. R.; Flowerdew, M. J.; Formica, A.; Forti, A.; Fournier, D.; Fox, H.; Fracchia, S.; Francavilla, P.; Franchini, M.; Francis, D.; Franconi, L.; Franklin, M.; Fraternali, M.; Freeborn, D.; French, S. T.; Friedrich, F.; Froidevaux, D.; Frost, J. A.; Fukunaga, C.; Fullana Torregrosa, E.; Fulsom, B. G.; Fuster, J.; Gabaldon, C.; Gabizon, O.; Gabrielli, A.; Gabrielli, A.; Gadatsch, S.; Gadomski, S.; Gagliardi, G.; Gagnon, P.; Galea, C.; Galhardo, B.; Gallas, E. J.; Gallop, B. J.; Gallus, P.; Galster, G.; Gan, K. K.; Gao, J.; Gao, Y.; Gao, Y. S.; Garay Walls, F. M.; Garberson, F.; García, C.; García Navarro, J. E.; Garcia-Sciveres, M.; Gardner, R. W.; Garelli, N.; Garonne, V.; Gatti, C.; Gaudiello, A.; Gaudio, G.; Gaur, B.; Gauthier, L.; Gauzzi, P.; Gavrilenko, I. L.; Gay, C.; Gaycken, G.; Gazis, E. N.; Ge, P.; Gecse, Z.; Gee, C. N. P.; Geerts, D. A. A.; Geich-Gimbel, Ch.; Geisler, M. P.; Gemme, C.; Genest, M. H.; Gentile, S.; George, M.; George, S.; Gerbaudo, D.; Gershon, A.; Ghazlane, H.; Ghodbane, N.; Giacobbe, B.; Giagu, S.; Giangiobbe, V.; Giannetti, P.; Gibbard, B.; Gibson, S. M.; Gilchriese, M.; Gillam, T. P. S.; Gillberg, D.; Gilles, G.; Gingrich, D. M.; Giokaris, N.; Giordani, M. P.; Giorgi, F. M.; Giorgi, F. M.; Giraud, P. F.; Giromini, P.; Giugni, D.; Giuliani, C.; Giulini, M.; Gjelsten, B. K.; Gkaitatzis, S.; Gkialas, I.; Gkougkousis, E. L.; Gladilin, L. K.; Glasman, C.; Glatzer, J.; Glaysher, P. C. F.; Glazov, A.; Goblirsch-Kolb, M.; Goddard, J. 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V.; Pelikan, D.; Peng, H.; Penning, B.; Penwell, J.; Perepelitsa, D. V.; Perez Codina, E.; Pérez García-Estañ, M. T.; Perini, L.; Pernegger, H.; Perrella, S.; Peschke, R.; Peshekhonov, V. D.; Peters, K.; Peters, R. F. Y.; Petersen, B. A.; Petersen, T. C.; Petit, E.; Petridis, A.; Petridou, C.; Petrolo, E.; Petrucci, F.; Pettersson, N. E.; Pezoa, R.; Phillips, P. W.; Piacquadio, G.; Pianori, E.; Picazio, A.; Piccaro, E.; Piccinini, M.; Pickering, M. A.; Piegaia, R.; Pignotti, D. T.; Pilcher, J. E.; Pilkington, A. D.; Pina, J.; Pinamonti, M.; Pinfold, J. L.; Pingel, A.; Pinto, B.; Pires, S.; Pitt, M.; Pizio, C.; Plazak, L.; Pleier, M.-A.; Pleskot, V.; Plotnikova, E.; Plucinski, P.; Pluth, D.; Poettgen, R.; Poggioli, L.; Pohl, D.; Polesello, G.; Policicchio, A.; Polifka, R.; Polini, A.; Pollard, C. S.; Polychronakos, V.; Pommès, K.; Pontecorvo, L.; Pope, B. G.; Popeneciu, G. A.; Popovic, D. S.; Poppleton, A.; Pospisil, S.; Potamianos, K.; Potrap, I. N.; Potter, C. J.; Potter, C. T.; Poulard, G.; Poveda, J.; Pozdnyakov, V.; Pralavorio, P.; Pranko, A.; Prasad, S.; Prell, S.; Price, D.; Price, J.; Price, L. E.; Primavera, M.; Prince, S.; Proissl, M.; Prokofiev, K.; Prokoshin, F.; Protopapadaki, E.; Protopopescu, S.; Proudfoot, J.; Przybycien, M.; Ptacek, E.; Puddu, D.; Pueschel, E.; Puldon, D.; Purohit, M.; Puzo, P.; Qian, J.; Qin, G.; Qin, Y.; Quadt, A.; Quarrie, D. R.; Quayle, W. B.; Queitsch-Maitland, M.; Quilty, D.; Raddum, S.; Radeka, V.; Radescu, V.; Radhakrishnan, S. K.; Radloff, P.; Rados, P.; Ragusa, F.; Rahal, G.; Rajagopalan, S.; Rammensee, M.; Rangel-Smith, C.; Rauscher, F.; Rave, S.; Ravenscroft, T.; Raymond, M.; Read, A. L.; Readioff, N. P.; Rebuzzi, D. M.; Redelbach, A.; Redlinger, G.; Reece, R.; Reeves, K.; Rehnisch, L.; Reisin, H.; Relich, M.; Rembser, C.; Ren, H.; Renaud, A.; Rescigno, M.; Resconi, S.; Rezanova, O. L.; Reznicek, P.; Rezvani, R.; Richter, R.; Richter, S.; Richter-Was, E.; Ricken, O.; Ridel, M.; Rieck, P.; Riegel, C. J.; Rieger, J.; Rijssenbeek, M.; Rimoldi, A.; Rinaldi, L.; Ristić, B.; Ritsch, E.; Riu, I.; Rizatdinova, F.; Rizvi, E.; Robertson, S. H.; Robichaud-Veronneau, A.; Robinson, D.; Robinson, J. E. M.; Robson, A.; Roda, C.; Roe, S.; Røhne, O.; Rolli, S.; Romaniouk, A.; Romano, M.; Saez, S. M. Romano; Romero Adam, E.; Rompotis, N.; Ronzani, M.; Roos, L.; Ros, E.; Rosati, S.; Rosbach, K.; Rose, P.; Rosendahl, P. L.; Rosenthal, O.; Rossetti, V.; Rossi, E.; Rossi, L. P.; Rosten, R.; Rotaru, M.; Roth, I.; Rothberg, J.; Rousseau, D.; Royon, C. R.; Rozanov, A.; Rozen, Y.; Ruan, X.; Rubbo, F.; Rubinskiy, I.; Rud, V. I.; Rudolph, C.; Rudolph, M. S.; Rühr, F.; Ruiz-Martinez, A.; Rurikova, Z.; Rusakovich, N. A.; Ruschke, A.; Russell, H. L.; Rutherfoord, J. P.; Ruthmann, N.; Ryabov, Y. F.; Rybar, M.; Rybkin, G.; Ryder, N. C.; Saavedra, A. F.; Sabato, G.; Sacerdoti, S.; Saddique, A.; Sadrozinski, H. F.-W.; Sadykov, R.; Safai Tehrani, F.; Saimpert, M.; Sakamoto, H.; Sakurai, Y.; Salamanna, G.; Salamon, A.; Saleem, M.; Salek, D.; Sales De Bruin, P. H.; Salihagic, D.; Salnikov, A.; Salt, J.; Salvatore, D.; Salvatore, F.; Salvucci, A.; Salzburger, A.; Sampsonidis, D.; Sanchez, A.; Sánchez, J.; Sanchez Martinez, V.; Sandaker, H.; Sandbach, R. L.; Sander, H. G.; Sanders, M. P.; Sandhoff, M.; Sandoval, C.; Sandstroem, R.; Sankey, D. P. C.; Sannino, M.; Sansoni, A.; Santoni, C.; Santonico, R.; Santos, H.; Santoyo Castillo, I.; Sapp, K.; Sapronov, A.; Saraiva, J. G.; Sarrazin, B.; Sasaki, O.; Sasaki, Y.; Sato, K.; Sauvage, G.; Sauvan, E.; Savage, G.; Savard, P.; Sawyer, C.; Sawyer, L.; Saxon, J.; Sbarra, C.; Sbrizzi, A.; Scanlon, T.; Scannicchio, D. A.; Scarcella, M.; Scarfone, V.; Schaarschmidt, J.; Schacht, P.; Schaefer, D.; Schaefer, R.; Schaeffer, J.; Schaepe, S.; Schaetzel, S.; Schäfer, U.; Schaffer, A. C.; Schaile, D.; Schamberger, R. D.; Scharf, V.; Schegelsky, V. A.; Scheirich, D.; Schernau, M.; Schiavi, C.; Schillo, C.; Schioppa, M.; Schlenker, S.; Schmidt, E.; Schmieden, K.; Schmitt, C.; Schmitt, S.; Schmitt, S.; Schneider, B.; Schnellbach, Y. J.; Schnoor, U.; Schoeffel, L.; Schoening, A.; Schoenrock, B. D.; Schopf, E.; Schorlemmer, A. L. S.; Schott, M.; Schouten, D.; Schovancova, J.; Schramm, S.; Schreyer, M.; Schroeder, C.; Schuh, N.; Schultens, M. J.; Schultz-Coulon, H.-C.; Schulz, H.; Schumacher, M.; Schumm, B. A.; Schune, Ph.; Schwanenberger, C.; Schwartzman, A.; Schwarz, T. A.; Schwegler, Ph.; Schwemling, Ph.; Schwienhorst, R.; Schwindling, J.; Schwindt, T.; Schwoerer, M.; Sciacca, F. G.; Scifo, E.; Sciolla, G.; Scuri, F.; Scutti, F.; Searcy, J.; Sedov, G.; Sedykh, E.; Seema, P.; Seidel, S. C.; Seiden, A.; Seifert, F.; Seixas, J. M.; Sekhniaidze, G.; Sekula, S. J.; Selbach, K. E.; Seliverstov, D. M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Serre, T.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shamim, M.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shiyakova, M.; Shmeleva, A.; Saadi, D. Shoaleh; Shochet, M. J.; Shojaii, S.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Shushkevich, S.; Sicho, P.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silver, Y.; Silverstein, S. B.; Simak, V.; Simard, O.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simoniello, R.; Sinervo, P.; Sinev, N. B.; Siragusa, G.; Sisakyan, A. N.; Sivoklokov, S. Yu.; Sjölin, J.; Sjursen, T. B.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, M. N. K.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snidero, G.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Solans, C. A.; Solar, M.; Solc, J.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Song, H. Y.; Soni, N.; Sood, A.; Sopczak, A.; Sopko, B.; Sopko, V.; Sorin, V.; Sosa, D.; Sosebee, M.; Sotiropoulou, C. L.; Soualah, R.; Soueid, P.; Soukharev, A. M.; South, D.; Spagnolo, S.; Spalla, M.; Spanò, F.; Spearman, W. R.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; Spreitzer, T.; Denis, R. D. St.; Staerz, S.; Stahlman, J.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, J.; Staroba, P.; Starovoitov, P.; Staszewski, R.; Stavina, P.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stern, S.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, E.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Subramaniam, R.; Succurro, A.; Sugaya, Y.; Suhr, C.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Susinno, G.; Sutton, M. R.; Suzuki, S.; Suzuki, Y.; Svatos, M.; Swedish, S.; Swiatlowski, M.; Sykora, I.; Sykora, T.; Ta, D.; Taccini, C.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeda, H.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tam, J. Y. C.; Tan, K. G.; Tanaka, J.; Tanaka, R.; Tanaka, S.; Tanaka, S.; Tannenwald, B. B.; Tannoury, N.; Tapprogge, S.; Tarem, S.; Tarrade, F.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, F. E.; Taylor, G. N.; Taylor, W.; Teischinger, F. A.; Teixeira Dias Castanheira, M.; Teixeira-Dias, P.; Temming, K. K.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Therhaag, J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, E. N.; Thompson, P. D.; Thompson, R. J.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Thomson, M.; Thun, R. P.; Tibbetts, M. J.; Torres, R. E. Ticse; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tiouchichine, E.; Tipton, P.; Tisserant, S.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tollefson, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tremblet, L.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; True, P.; Trzebinski, M.; Trzupek, A.; Tsarouchas, C.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsionou, D.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tudorache, A.; Tudorache, V.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turecek, D.; Turra, R.; Turvey, A. J.; Tuts, P. M.; Tykhonov, A.; Tylmad, M.; Tyndel, M.; Ueda, I.; Ueno, R.; Ughetto, M.; Ugland, M.; Uhlenbrock, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usanova, A.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Valladolid Gallego, E.; Vallecorsa, S.; Valls Ferrer, J. A.; Van Den Wollenberg, W.; Van Der Deijl, P. C.; van der Geer, R.; van der Graaf, H.; Van Der Leeuw, R.; van Eldik, N.; van Gemmeren, P.; Van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vannucci, F.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veloso, F.; Velz, T.; Veneziano, S.; Ventura, A.; Ventura, D.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigne, R.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vivarelli, I.; Vives Vaque, F.; Vlachos, S.; Vladoiu, D.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Radziewski, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Vykydal, Z.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, X.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Warsinsky, M.; Washbrook, A.; Wasicki, C.; Watkins, P. M.; Watson, A. T.; Watson, I. J.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Wharton, A. M.; White, A.; White, M. J.; White, R.; White, S.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, A.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winter, B. T.; Wittgen, M.; Wittkowski, J.; Wollstadt, S. J.; Wolter, M. W.; Wolters, H.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yakabe, R.; Yamada, M.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yao, L.; Yao, W.-M.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yen, A. L.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yurkewicz, A.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zengel, K.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, J.; Zhang, L.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, R.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; zur Nedden, M.; Zurzolo, G.; Zwalinski, L.

2015-07-01

Measurements of the ZZ and WW final states in the mass range above the and thresholds provide a unique opportunity to measure the off-shell coupling strength of the Higgs boson. This paper presents constraints on the off-shell Higgs boson event yields normalised to the Standard Model prediction (signal strength) in the , and final states. The result is based on pp collision data collected by the ATLAS experiment at the LHC, corresponding to an integrated luminosity of 20.3 fb at a collision energy of TeV. Using the method, the observed 95 confidence level (CL) upper limit on the off-shell signal strength is in the range 5.1-8.6, with an expected range of 6.7-11.0. In each case the range is determined by varying the unknown and background K-factor from higher-order quantum chromodynamics corrections between half and twice the value of the known signal K-factor. Assuming the relevant Higgs boson couplings are independent of the energy scale of the Higgs boson production, a combination with the on-shell measurements yields an observed (expected) 95 CL upper limit on in the range 4.5-7.5 (6.5-11.2) using the same variations of the background K-factor. Assuming that the unknown background K-factor is equal to the signal K-factor, this translates into an observed (expected) 95 CL upper limit on the Higgs boson total width of 22.7 (33.0) MeV.

Expansion patterns and parallaxes for planetary nebulae

NASA Astrophysics Data System (ADS)

Schönberner, D.; Balick, B.; Jacob, R.

2018-02-01

Aims: We aim to determine individual distances to a small number of rather round, quite regularly shaped planetary nebulae by combining their angular expansion in the plane of the sky with a spectroscopically measured expansion along the line of sight. Methods: We combined up to three epochs of Hubble Space Telescope imaging data and determined the angular proper motions of rim and shell edges and of other features. These results are combined with measured expansion speeds to determine individual distances by assuming that line of sight and sky-plane expansions are equal. We employed 1D radiation-hydrodynamics simulations of nebular evolution to correct for the difference between the spectroscopically measured expansion velocities of rim and shell and of their respective shock fronts. Results: Rim and shell are two independently expanding entities, driven by different physical mechanisms, although their model-based expansion timescales are quite similar. We derive good individual distances for 15 objects, and the main results are as follows: (i) distances derived from rim and shell agree well; (ii) comparison with the statistical distances in the literature gives reasonable agreement; (iii) our distances disagree with those derived by spectroscopic methods; (iv) central-star "plateau" luminosities range from about 2000 L⊙ to well below 10 000 L⊙, with a mean value at about 5000 L⊙, in excellent agreement with other samples of known distance (Galactic bulge, Magellanic Clouds, and K648 in the globular cluster M 15); (v) the central-star mass range is rather restricted: from about 0.53 to about 0.56 M⊙, with a mean value of 0.55 M⊙. Conclusions: The expansion measurements of nebular rim and shell edges confirm the predictions of radiation-hydrodynamics simulations and offer a reliable method for the evaluation of distances to suited objects. Results of this paper are based on observations made with the NASA/ESA Hubble Space Telescope in Cycle 16 (GO11122) and older data obtained from the Data Archive at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS 5-26555.

Force and deflection sensor with shell membrane and optical gratings and method of manufacture

NASA Technical Reports Server (NTRS)

Park, Yong-Lae (Inventor); Moslehi, Behzad (Inventor); Black, Richard James (Inventor); Cutkosky, Mark R. (Inventor); Chau, Kelvin K (Inventor)

2011-01-01

A sensor for force is formed from an elastomeric cylinder having a region with apertures. The apertures have passageways formed between them, and an optical fiber is introduced into these passageways, where the optical fiber has a grating for measurement of tension positioned in the passageways between apertures. Optionally, a temperature measurement sensor is placed in or around the elastomer for temperature correction, and if required, a copper film may be deposited in the elastomer for reduced sensitivity to spot temperature variations in the elastomer near the sensors.

"Brace Technology" Thematic Series - The ScoliOlogiC® Chêneau light™ brace in the treatment of scoliosis.

PubMed

Weiss, Hans-Rudolf; Werkmann, Mario

2010-09-06

Bracing concepts in use today for the treatment of scoliosis include symmetric and asymmetric hard braces usually made of polyethylene (PE) and soft braces. The plaster cast method worldwide seems to be the most practiced technique for the construction of hard braces at the moment. CAD (Computer Aided Design) systems are available which allow brace adjustments without plaster. Another possibility is the use of the ScoliOlogiC™ off the shelf system enabling the Certified Prosthetist and Orthotist (CPO) to construct a light brace for scoliosis correction from a variety of pattern specific shells to be connected to an anterior and a posterior upright. This Chêneau light™ brace, developed according to the Chêneau principles, promises a reduced impediment of quality of life in the brace. The correction effects of the first 81 patients (main diagnosis Adolescent Idiopathic Scoliosis (AIS) [n = 64] or Early Onset Scoliosis (EOS) [n = 15]), treated according to the principles of the Chêneau light™ brace have shown a satisfactory in-brace correction exceeding 50% of the initial Cobb angle. The ScoliOlogiC® off the shelf bracing system enables the CPO to construct a light brace for scoliosis correction from a variety of pattern specific shells to be connected to an anterior and a posterior upright. This brace, when finally adjusted is called Chêneau light™ brace. The advantage of this new bracing system is that the brace is available immediately, is easily adjustable and that it can also be easily modified. This avoids construction periods of sometimes more than 6 weeks, where the curve may drastically increase during periods of fast growth. The disadvantage of this bracing system is that there is a wide variability of possibilities to arrange the different shells during adjustment. The Cobb angle in the whole group was reduced by an average of 16,4°, which corresponds to a correction effect of 51%. The differences were highly significant in the T-test (T = 17,4; p < 0,001). The best correction effects achieved with Chêneau braces reported in literature so far are about 40% in two different studies. The correction effect was highest in lumbar and thoracolumbar curve patterns (62%; n = 18). In thoracic scoliosis the correction effect was 36% (n = 41) and in double major curve patterns 50% (n = 22). The correction effect was affected in a slightly negative way due to age (r = -0,24; p = 0,014), negatively with the Risser stage (-0,29; p = 0,0096) and correlated negatively with the Cobb angle measured before treatment (r = -0,43; p < 0,0001). The use of the Chêneau light™ brace leads to correction effects above average when compared to correction effects of other braces described in literature. The reduction of material seems to increase patient's comfort and reduces the stress patients may suffer from whilst in the brace.80% of the adolescent population of scoliosis patients can be braced with the Chêneau light™ brace. In certain patterns of curvature and in the younger population with an age of less than 11 years, other approaches have to be used, such as plaster based bracing or the application of CAD/CAM based orthoses.

Triggered high-purity telecom-wavelength single-photon generation from p-shell-driven InGaAs/GaAs quantum dot.

PubMed

Dusanowski, Ł; Holewa, P; Maryński, A; Musiał, A; Heuser, T; Srocka, N; Quandt, D; Strittmatter, A; Rodt, S; Misiewicz, J; Reitzenstein, S; Sęk, G

2017-12-11

We report on the experimental demonstration of triggered single-photon emission at the telecom O-band from In(Ga)As/GaAs quantum dots (QDs) grown by metal-organic vapor-phase epitaxy. Micro-photoluminescence excitation experiments allowed us to identify the p-shell excitonic states in agreement with high excitation photoluminescence on the ensemble of QDs. Hereby we drive an O-band-emitting GaAs-based QD into the p-shell states to get a triggered single photon source of high purity. Applying pulsed p-shell resonant excitation results in strong suppression of multiphoton events evidenced by the as measured value of the second-order correlation function at zero delay of 0.03 (and ~0.005 after background correction).

Linear and nonlinear magneto-optical properties of an off-center single dopant in a spherical core/shell quantum dot

NASA Astrophysics Data System (ADS)

Feddi, E.; Talbi, A.; Mora-Ramos, M. E.; El Haouari, M.; Dujardin, F.; Duque, C. A.

2017-11-01

Using the effective mass approximation and a variational procedure, we have investigated the nonlinear optical absorption coefficient and the relative refractive index changes associated to a single dopant confined in core/shell quantum dots considering the influences of the core/shell dimensions, externally applied magnetic field, and dielectric mismatch. The results show that the optical absorption coefficient and the coefficients of relative refractive index change depend strongly on the core/shell sizes and they are blue shifted when the spatial confinement increases so this effect is magnified by higher structural dimensions. Additionally, it is obtained that both studied optical properties are sensitive to the dielectric environment in such a way that their amplitudes are very affected by the local field corrections.

Atom by atom: HRTEM insights into inorganic nanotubes and fullerene-like structures

PubMed Central

Sadan, Maya Bar; Houben, Lothar; Enyashin, Andrey N.; Seifert, Gotthard; Tenne, Reshef

2008-01-01

The characterization of nanostructures down to the atomic scale is essential to understand some physical properties. Such a characterization is possible today using direct imaging methods such as aberration-corrected high-resolution transmission electron microscopy (HRTEM), when iteratively backed by advanced modeling produced by theoretical structure calculations and image calculations. Aberration-corrected HRTEM is therefore extremely useful for investigating low-dimensional structures, such as inorganic fullerene-like particles and inorganic nanotubes. The atomic arrangement in these nanostructures can lead to new insights into the growth mechanism or physical properties, where imminent commercial applications are unfolding. This article will focus on two structures that are symmetric and reproducible. The first structure that will be dealt with is the smallest stable symmetric closed-cage structure in the inorganic system, a MoS2 nanooctahedron. It is investigated by means of aberration-corrected microscopy which allowed validating the suggested DFTB-MD model. It will be shown that structures diverging from the energetically most stable structures are present in the laser ablated soot and that the alignment of the different shells is parallel, unlike the bulk material where the alignment is antiparallel. These findings correspond well with the high-energy synthetic route and they provide more insight into the growth mechanism. The second structure studied is WS2 nanotubes, which have already been shown to have a unique structure with very desirable mechanical properties. The joint HRTEM study combined with modeling reveals new information regarding the chirality of the different shells and provides a better understanding of their growth mechanism. PMID:18838681

Atom by atom: HRTEM insights into inorganic nanotubes and fullerene-like structures.

PubMed

Bar Sadan, Maya; Houben, Lothar; Enyashin, Andrey N; Seifert, Gotthard; Tenne, Reshef

2008-10-14

The characterization of nanostructures down to the atomic scale is essential to understand some physical properties. Such a characterization is possible today using direct imaging methods such as aberration-corrected high-resolution transmission electron microscopy (HRTEM), when iteratively backed by advanced modeling produced by theoretical structure calculations and image calculations. Aberration-corrected HRTEM is therefore extremely useful for investigating low-dimensional structures, such as inorganic fullerene-like particles and inorganic nanotubes. The atomic arrangement in these nanostructures can lead to new insights into the growth mechanism or physical properties, where imminent commercial applications are unfolding. This article will focus on two structures that are symmetric and reproducible. The first structure that will be dealt with is the smallest stable symmetric closed-cage structure in the inorganic system, a MoS(2) nanooctahedron. It is investigated by means of aberration-corrected microscopy which allowed validating the suggested DFTB-MD model. It will be shown that structures diverging from the energetically most stable structures are present in the laser ablated soot and that the alignment of the different shells is parallel, unlike the bulk material where the alignment is antiparallel. These findings correspond well with the high-energy synthetic route and they provide more insight into the growth mechanism. The second structure studied is WS(2) nanotubes, which have already been shown to have a unique structure with very desirable mechanical properties. The joint HRTEM study combined with modeling reveals new information regarding the chirality of the different shells and provides a better understanding of their growth mechanism.

Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr

NASA Astrophysics Data System (ADS)

Kao, Der-you; Withanage, Kushantha; Hahn, Torsten; Batool, Javaria; Kortus, Jens; Jackson, Koblar

2017-10-01

In the Fermi-Löwdin orbital method for implementing self-interaction corrections (FLO-SIC) in density functional theory (DFT), the local orbitals used to make the corrections are generated in a unitary-invariant scheme via the choice of the Fermi orbital descriptors (FODs). These are M positions in 3-d space (for an M-electron system) that can be loosely thought of as classical electron positions. The orbitals that minimize the DFT energy including the SIC are obtained by finding optimal positions for the FODs. In this paper, we present optimized FODs for the atoms from Li-Kr obtained using an unbiased search method and self-consistent FLO-SIC calculations. The FOD arrangements display a clear shell structure that reflects the principal quantum numbers of the orbitals. We describe trends in the FOD arrangements as a function of atomic number. FLO-SIC total energies for the atoms are presented and are shown to be in close agreement with the results of previous SIC calculations that imposed explicit constraints to determine the optimal local orbitals, suggesting that FLO-SIC yields the same solutions for atoms as these computationally demanding earlier methods, without invoking the constraints.

Macro-microscopic mass formulae and nuclear mass predictions

NASA Astrophysics Data System (ADS)

Royer, G.; Guilbaud, M.; Onillon, A.

2010-12-01

Different mass formulae derived from the liquid drop model and the pairing and shell energies of the Thomas-Fermi model have been studied and compared. They include or not the diffuseness correction to the Coulomb energy, the charge exchange correction term, the curvature energy, different forms of the Wigner term and powers of the relative neutron excess I=(N-Z)/A. Their coefficients have been determined by a least square fitting procedure to 2027 experimental atomic masses (G. Audi et al. (2003) [1]). The Coulomb diffuseness correction Z/A term or the charge exchange correction Z/A term plays the main role to improve the accuracy of the mass formula. The Wigner term and the curvature energy can also be used separately but their coefficients are very unstable. The different fits lead to a surface energy coefficient of around 17-18 MeV. A large equivalent rms radius ( r=1.22-1.24 fm) or a shorter central radius may be used. An rms deviation of 0.54 MeV can be reached between the experimental and theoretical masses. The remaining differences come probably mainly from the determination of the shell and pairing energies. Mass predictions of selected expressions have been compared to 161 new experimental masses and the correct agreement allows to provide extrapolations to masses of 656 selected exotic nuclei.

Method of forming cavitated objects of controlled dimension

DOEpatents

Anderson, Paul R.; Miller, Wayne J.

1982-01-01

A method of controllably varying the dimensions of cavitated objects such as hollow spherical shells wherein a precursor shell is heated to a temperature above the shell softening temperature in an ambient atmosphere wherein the ratio of gases which are permeable through the shell wall at that temperature to gases which are impermeable through the shell wall is substantially greater than the corresponding ratio for gases contained within the precursor shell. As the shell expands, the partial pressures of permeable gases internally and externally of the shell approach and achieve equilibrium, so that the final shell size depends solely upon the difference in impermeable gas partial pressures and shell surface tension.

Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

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

Palmeri, P., E-mail: patrick.palmeri@umons.ac.be; Quinet, P., E-mail: pascal.quinet@umons.ac.be; IPNAS, Université de Liège, B-4000 Liège

2015-09-15

The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser–solid experiments through the K-shell emission cross section. In addition, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al. (2012)), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the vanadium isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent vanadium ions to the daughter ions K-vacancy levels considered in Palmerimore » et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 20 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic behavior of the modified relativistic binary encounter Bethe model (MRBEB) of Guerra et al. (2012) with the density-effect correction proposed by Davies et al. (2013)« less

Cross-shell excitations in Si 31

DOE PAGES

Tai, P. -L.; Tabor, S. L.; Lubna, R. S.; ...

2017-07-28

The Si-31 nucleus was produced through the O-18(18O, an) fusion-evaporation reaction at E-lab = 24 MeV. Evaporated a particles from the reaction were detected and identified in the Microball detector array for channel selection. Multiple gamma-ray coincidence events were detected in Gammasphere. The energy and angle information for the alpha particles was used to determine the Si-31 recoil kinematics on an event-by-event basis for a more accurate Doppler correction. A total of 22 new states and 52 new gamma transitions were observed, including 14 from states above the neutron separation energy. The positive-parity states predicted by the shell-model calculations inmore » the sd model space agree well with experiment. The negative-parity states were compared with shell-model calculations in the psdpf model space with some variations in the N = 20 shell gap. The best agreement was found with a shell gap intermediate between that originally used for A approximate to 20 nuclei and that previously adapted for P-32,P-34. This variation suggests the need for a more universal cross-shell interaction.« less

As(V) and P Competitive Sorption on Soils, By-Products and Waste Materials

PubMed Central

Rivas-Pérez, Ivana María; Paradelo-Núñez, Remigio; Nóvoa-Muñoz, Juan Carlos; Arias-Estévez, Manuel; Fernández-Sanjurjo, María José; Álvarez-Rodríguez, Esperanza; Núñez-Delgado, Avelino

2015-01-01

Batch-type experiments were used to study competitive As(V) and P sorption on various soils and sorbent materials. The materials assayed were a forest soil, a vineyard soil, pyritic material, granitic material, coarsely and finely ground mussel shell, calcinated mussel shell ash, pine sawdust and slate processing fines. Competition between As(V) and P was pronounced in the case of both soils, granitic material, slate fines, both shells and pine sawdust, showing more affinity for P. Contrary, the pyritic material and mussel shell ash showed high and similar affinity for As(V) and P. These results could be useful to make a correct use of the soils and materials assayed when focusing on As and P removal in solid or liquid media, in circumstances where both pollutants may compete for sorption sites. PMID:26690456

Fossil dust shells around luminous supergiants

NASA Technical Reports Server (NTRS)

Stothers, R.

1975-01-01

The observed frequency with which infrared excesses appear in F, G, and K supergiants of luminosity class Ia supports the idea that these excesses arise in a 'fossil' circumstellar dust shell that was formed during a prior M-super-giant phase of evolution. The required leftward evolution of the star on the H-R diagram would then imply that the Ledoux, rather than the Schwarzschild, criterion for convective mixing is the correct criterion to use in stellar evolution calculations.

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

PubMed Central

Liew, Thor-Seng; Schilthuizen, Menno

2016-01-01

Quantitative analysis of organismal form is an important component for almost every branch of biology. Although generally considered an easily-measurable structure, the quantification of gastropod shell form is still a challenge because many shells lack homologous structures and have a spiral form that is difficult to capture with linear measurements. In view of this, we adopt the idea of theoretical modelling of shell form, in which the shell form is the product of aperture ontogeny profiles in terms of aperture growth trajectory that is quantified as curvature and torsion, and of aperture form that is represented by size and shape. We develop a workflow for the analysis of shell forms based on the aperture ontogeny profile, starting from the procedure of data preparation (retopologising the shell model), via data acquisition (calculation of aperture growth trajectory, aperture form and ontogeny axis), and data presentation (qualitative comparison between shell forms) and ending with data analysis (quantitative comparison between shell forms). We evaluate our methods on representative shells of the genera Opisthostoma and Plectostoma, which exhibit great variability in shell form. The outcome suggests that our method is a robust, reproducible, and versatile approach for the analysis of shell form. Finally, we propose several potential applications of our methods in functional morphology, theoretical modelling, taxonomy, and evolutionary biology. PMID:27280463

The problems concerning the integration of very thin mirror shells

NASA Astrophysics Data System (ADS)

Basso, S.; Citterio, O.; Mazzoleni, F.; Pareschi, G.; Tagliaferri, G.; Valtolina, R.; Conconi, P.; Parodi, G.

2009-08-01

The necessity to reduce the mass and to increase the collecting area requires that the thickness of the optics becomes more and more thinner. Simbol-X was a typical example of this trend. Such thickness makes the shells floppy and therefore unable to maintain the correct shape. During the integration of the shells into the mechanical structure, only negligible deformation must be introduced. The low thickness means also that the shells must be glued on both sides to reach a good stiffness of the whole mirror module and this fact introduces a set of mounting problems. In INAF - Osservatorio Astronomico di Brera an integration process has been developed. The use of stiffening rings and of a temporary structure is the key to maintain the right shape of the shell. In this article the results of the integration of the first three prototypes of the Simbol-X optics are presented. The description of the process and the analysis of the degradation of the performances during the integration are shown in detail.

Experimental demonstration of direct L-shell x-ray fluorescence imaging of gold nanoparticles using a benchtop x-ray source

PubMed Central

Manohar, Nivedh; Reynoso, Francisco J.; Cho, Sang Hyun

2013-01-01

Purpose: To develop a proof-of-principle L-shell x-ray fluorescence (XRF) imaging system that locates and quantifies sparse concentrations of gold nanoparticles (GNPs) using a benchtop polychromatic x-ray source and a silicon (Si)-PIN diode x-ray detector system. Methods: 12-mm-diameter water-filled cylindrical tubes with GNP concentrations of 20, 10, 5, 0.5, 0.05, 0.005, and 0 mg/cm3 served as calibration phantoms. An imaging phantom was created using the same cylindrical tube but filled with tissue-equivalent gel containing structures mimicking a GNP-loaded blood vessel and approximately 1 cm3 tumor. Phantoms were irradiated by a 3-mm-diameter pencil-beam of 62 kVp x-rays filtered by 1 mm aluminum. Fluorescence/scatter photons from phantoms were detected at 90° with respect to the beam direction using a Si-PIN detector placed behind a 2.5-mm-diameter lead collimator. The imaging phantom was translated horizontally and vertically in 0.3-mm steps to image a 6 mm × 15 mm region of interest (ROI). For each phantom, the net L-shell XRF signal from GNPs was extracted from background, and then corrected for detection efficiency and in-phantom attenuation using a fluorescence-to-scatter normalization algorithm. Results: XRF measurements with calibration phantoms provided a calibration curve showing a linear relationship between corrected XRF signal and GNP mass per imaged voxel. Using the calibration curve, the detection limit (at the 95% confidence level) of the current experimental setup was estimated to be a GNP mass of 0.35 μg per imaged voxel (1.73 × 10−2 cm3). A 2D XRF map of the ROI was also successfully generated, reasonably matching the known spatial distribution as well as showing the local variation of GNP concentrations. Conclusions:L-shell XRF imaging can be a highly sensitive tool that has the capability of simultaneously imaging the spatial distribution and determining the local concentration of GNPs presented on the order of parts-per-million level within subcentimeter-sized ex vivo samples and superficial tumors during preclinical animal studies. PMID:23927295

Method and apparatus for an inflatable shell

NASA Technical Reports Server (NTRS)

Johnson, Christopher J. (Inventor)

2012-01-01

A method of assembling an inflatable shell of a structure comprises folding a plurality of shell sections about a set of fold lines and integrating the plurality of shell sections together with one another to form the shell. In another embodiment, an inflatable shell comprises a plurality of shell sections, each shell section having two pairs of fold lines for folding into stowage comprising a first gore section having a plurality of first gore panels layered and collectively folded about at a first set of fold lines. Each layer of the first gore panels and second gore panels are configured such that, once the first gore panel and second gore panel are attached to one another at the respective side edges of each panel, the lines of attachment forming a second set of fold lines for the shell section. A system and method for fabricating gore panels is also disclosed.

Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory.

PubMed

Tsuchimochi, Takashi; Henderson, Thomas M; Scuseria, Gustavo E; Savin, Andreas

2010-10-07

Our previously developed constrained-pairing mean-field theory (CPMFT) is shown to map onto an unrestricted Hartree-Fock (UHF) type method if one imposes a corresponding pair constraint to the correlation problem that forces occupation numbers to occur in pairs adding to one. In this new version, CPMFT has all the advantages of standard independent particle models (orbitals and orbital energies, to mention a few), yet unlike UHF, it can dissociate polyatomic molecules to the correct ground-state restricted open-shell Hartree-Fock atoms or fragments.

Atomic-level simulation of ferroelectricity in perovskite solid solutions

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

Sepliarsky, M.; Instituto de Fisica Rosario, CONICET-UNR, Rosario,; Phillpot, S. R.

2000-06-26

Building on the insights gained from electronic-structure calculations and from experience obtained with an earlier atomic-level method, we developed an atomic-level simulation approach based on the traditional Buckingham potential with shell model which correctly reproduces the ferroelectric phase behavior and dielectric and piezoelectric properties of KNbO{sub 3}. This approach now enables the simulation of solid solutions and defected systems; we illustrate this capability by elucidating the ferroelectric properties of a KTa{sub 0.5}Nb{sub 0.5}O{sub 3} random solid solution. (c) 2000 American Institute of Physics.

Benchmark of Dynamic Electron Correlation Models for Seniority-Zero Wave Functions and Their Application to Thermochemistry.

PubMed

Boguslawski, Katharina; Tecmer, Paweł

2017-12-12

Wave functions restricted to electron-pair states are promising models to describe static/nondynamic electron correlation effects encountered, for instance, in bond-dissociation processes and transition-metal and actinide chemistry. To reach spectroscopic accuracy, however, the missing dynamic electron correlation effects that cannot be described by electron-pair states need to be included a posteriori. In this Article, we extend the previously presented perturbation theory models with an Antisymmetric Product of 1-reference orbital Geminal (AP1roG) reference function that allows us to describe both static/nondynamic and dynamic electron correlation effects. Specifically, our perturbation theory models combine a diagonal and off-diagonal zero-order Hamiltonian, a single-reference and multireference dual state, and different excitation operators used to construct the projection manifold. We benchmark all proposed models as well as an a posteriori Linearized Coupled Cluster correction on top of AP1roG against CR-CC(2,3) reference data for reaction energies of several closed-shell molecules that are extrapolated to the basis set limit. Moreover, we test the performance of our new methods for multiple bond breaking processes in the homonuclear N 2 , C 2 , and F 2 dimers as well as the heteronuclear BN, CO, and CN + dimers against MRCI-SD, MRCI-SD+Q, and CR-CC(2,3) reference data. Our numerical results indicate that the best performance is obtained from a Linearized Coupled Cluster correction as well as second-order perturbation theory corrections employing a diagonal and off-diagonal zero-order Hamiltonian and a single-determinant dual state. These dynamic corrections on top of AP1roG provide substantial improvements for binding energies and spectroscopic properties obtained with the AP1roG approach, while allowing us to approach chemical accuracy for reaction energies involving closed-shell species.

UV Light Reveals the Diversity of Jurassic Shell Colour Patterns: Examples from the Cordebugle Lagerstätte (Calvados, France)

PubMed Central

Caze, Bruno; Merle, Didier; Schneider, Simon

2015-01-01

Viewed under UV light the diverse and exceptionally well-preserved molluscs from the Late Jurassic Cordebugle Konservat Lagerstätte (Calvados, Normandy, France) reveal fluorescent fossil shell colour patterns predating the oldest previously known instance of such patterns by 100 Myr. Evidently, residual colour patterns are observable in Mesozoic molluscs by application of this non-destructive method, provided the shells are not decalcified or recrystallized. Among 46 species which are assigned to twelve gastropod families and eight bivalve families, no less than 25 species yielded positive results. Out of nine colour pattern morphologies that have been distinguished six occur in gastropods and three in bivalves. The presence of these variant morphologies clearly indicates a significant pre-Cenozoic diversification of colour patterns, especially in gastropods. In addition, the occurrence of two distinct types of fluorescence highlights a major difference in the chemical composition of the pigments involved in colour pattern formation in gastropods. This discovery enables us to discriminate members of higher clades, i.e. the Vetigastropoda emitting red fluorescence from the Caenogastropoda and Heterobranchia emitting whitish-beige to yellow fluorescence. Consequently, fluorescent colour patterns may help to allocate part of the numerous enigmatic Mesozoic gastropod taxa to their correct systematic position. PMID:26039592

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

Multibody dynamic analysis using a rotation-free shell element with corotational frame

NASA Astrophysics Data System (ADS)

Shi, Jiabei; Liu, Zhuyong; Hong, Jiazhen

2018-03-01

Rotation-free shell formulation is a simple and effective method to model a shell with large deformation. Moreover, it can be compatible with the existing theories of finite element method. However, a rotation-free shell is seldom employed in multibody systems. Using a derivative of rigid body motion, an efficient nonlinear shell model is proposed based on the rotation-free shell element and corotational frame. The bending and membrane strains of the shell have been simplified by isolating deformational displacements from the detailed description of rigid body motion. The consistent stiffness matrix can be obtained easily in this form of shell model. To model the multibody system consisting of the presented shells, joint kinematic constraints including translational and rotational constraints are deduced in the context of geometric nonlinear rotation-free element. A simple node-to-surface contact discretization and penalty method are adopted for contacts between shells. A series of analyses for multibody system dynamics are presented to validate the proposed formulation. Furthermore, the deployment of a large scaled solar array is presented to verify the comprehensive performance of the nonlinear shell model.

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.

Off-shell production of top-antitop pairs in the lepton+jets channel at NLO QCD

NASA Astrophysics Data System (ADS)

Denner, Ansgar; Pellen, Mathieu

2018-02-01

The production of top-quark pairs that subsequently decay hadronically and leptonically (lepton+jets channel) is one of the key processes for the study of top-quark properties at the LHC. In this article, NLO QCD corrections of order O({α}s^3{α}^4) to the hadronic process pp\\to {μ}-{\\overline{ν}}_{μ}b\\overline{b}jj are presented. The computation includes off-shell as well as non-resonant contributions, and experimental event selections are used in order to provide realistic predictions. The results are provided in the form of cross sections and differential distributions. The QCD corrections are sizeable and different from the ones of the fully leptonic channel. This is due to the different final state where here four jets are present at leading order.

Shape optimized headers and methods of manufacture thereof

DOEpatents

Perrin, Ian James

2013-11-05

Disclosed herein is a shape optimized header comprising a shell that is operative for collecting a fluid; wherein an internal diameter and/or a wall thickness of the shell vary with a change in pressure and/or a change in a fluid flow rate in the shell; and tubes; wherein the tubes are in communication with the shell and are operative to transfer fluid into the shell. Disclosed herein is a method comprising fixedly attaching tubes to a shell; wherein the shell is operative for collecting a fluid; wherein an internal diameter and/or a wall thickness of the shell vary with a change in pressure and/or a change in a fluid flow rate in the shell; and wherein the tubes are in communication with the shell and are operative to transfer fluid into the shell.

A new symmetry model for hohlraum-driven capsule implosion experiments on the NIF

NASA Astrophysics Data System (ADS)

Jones, O.; Rygg, R.; Tomasini, R.; Eder, D.; Kritcher, A.; Milovich, J.; Peterson, L.; Thomas, C.; Barrios, M.; Benedetti, R.; Doeppner, T.; Ma, T.; Nagel, S.; Pak, A.; Field, J.; Izumi, N.; Glenn, S.; Town, R.; Bradley, D.

2016-03-01

We have developed a new model for predicting the time-dependent radiation drive asymmetry in laser-heated hohlraums. The model consists of integrated Hydra capsule-hohlraum calculations coupled to a separate model for calculating the crossbeam energy transfer between the inner and outer cones of the National Ignition Facility (NIF) indirect drive configuration. The time- dependent crossbeam transfer model parameters were adjusted in order to best match the P2 component of the shape of the inflight shell inferred from backlit radiographs of the capsule taken when the shell was at a radius of 150-250 μm. The adjusted model correctly predicts the observed inflight P2 and P4 components of the shape of the inflight shell, and also the P2 component of the shape of the hotspot inferred from x-ray self-emission images at the time of peak emission. It also correctly captures the scaling of the inflight P4 as the hohlraum length is varied. We then applied the newly benchmarked model to quantify the improved symmetry of the N130331 layered deuterium- tritium (DT) experiment in a re-optimized longer hohlraum.

Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration.

PubMed

Soniat, Marielle; Rogers, David M; Rempe, Susan B

2015-07-14

A challenge in density functional theory is developing functionals that simultaneously describe intermolecular electron correlation and electron delocalization. Recent exchange-correlation functionals address those two issues by adding corrections important at long ranges: an atom-centered pairwise dispersion term to account for correlation and a modified long-range component of the electron exchange term to correct for delocalization. Here we investigate how those corrections influence the accuracy of binding free energy predictions for sodium-water clusters. We find that the dual-corrected ωB97X-D functional gives cluster binding energies closest to high-level ab initio methods (CCSD(T)). Binding energy decomposition shows that the ωB97X-D functional predicts the smallest ion-water (pairwise) interaction energy and larger multibody contributions for a four-water cluster than most other functionals - a trend consistent with CCSD(T) results. Also, ωB97X-D produces the smallest amounts of charge transfer and the least polarizable waters of the density functionals studied, which mimics the lower polarizability of CCSD. When compared with experimental binding free energies, however, the exchange-corrected CAM-B3LYP functional performs best (error <1 kcal/mol), possibly because of its parametrization to experimental formation enthalpies. For clusters containing more than four waters, "split-shell" coordination must be considered to obtain accurate free energies in comparison with experiment.

Facile fabrication of core-in-shell particles by the slow removal of the core and its use in the encapsulation of metal nanoparticles.

PubMed

Choi, Won San; Koo, Hye Young; Kim, Dong-Yu

2008-05-06

Core-in-shell particles with controllable core size have been fabricated from core-shell particles by means of the controlled core-dissolution method. These cores in inorganic shells were employed as scaffolds for the synthesis of metal nanoparticles. After dissolution of the cores, metal nanoparticles embedded in cores were encapsulated into the interior of shell, without any damage or change. This article describes a very simple method for deriving core-in-shell particles with controllable core size and encapsulation of nanoparticles into the interior of shell.

Morphology of the ferritin iron core by aberration corrected scanning transmission electron microscopy

NASA Astrophysics Data System (ADS)

Jian, Nan; Dowle, Miriam; Horniblow, Richard D.; Tselepis, Chris; Palmer, Richard E.

2016-11-01

As the major iron storage protein, ferritin stores and releases iron for maintaining the balance of iron in fauna, flora, and bacteria. We present an investigation of the morphology and iron loading of ferritin (from equine spleen) using aberration-corrected high angle annular dark field scanning transmission electron microscopy. Atom counting method, with size selected Au clusters as mass standards, was employed to determine the number of iron atoms in the nanoparticle core of each ferritin protein. Quantitative analysis shows that the nuclearity of iron atoms in the mineral core varies from a few hundred iron atoms to around 5000 atoms. Moreover, a relationship between the iron loading and iron core morphology is established, in which mineral core nucleates from a single nanoparticle, then grows along the protein shell before finally forming either a solid or hollow core structure.

An immersed-shell method for modelling fluid–structure interactions

PubMed Central

Viré, A.; Xiang, J.; Pain, C. C.

2015-01-01

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

Plasticity as Phenotype: G x E Interaction in a Freshwater Snail

NASA Astrophysics Data System (ADS)

Brunkow, P. E.; Calloway, S. A.

2005-05-01

Plasticity in morphological development allows species to accommodate environmental variation experienced during growth; however, genetic variation for phenotypic plasticity per se has been relatively under-studied. We utilized the well-documented plastic response of shell development to predator cues in a freshwater snail to quantify genetic variation for plasticity in growth rate and shell shape. Field-caught pairs of snails reproduced in the laboratory to create families of full siblings, which were then divided and allowed to grow in control and predator cue treatments. Predator (crayfish) cues had significant effects on both size-corrected growth rate and shell shape; family identity also significantly affected both final shell shape and growth rate. The interaction between predator treatment and family identity significantly affected snail growth rate but not final shell shape, suggesting genetic variation in the plastic response to predator cues for a physiological variable (growth rate) but not for a variable known to mechanically reduce the risk of predation (shell shape), at least in this population of snails. The possibility that risk of multiple modes of predation (i.e., both fish and crayfish) in some populations might maintain genetic variation in morphological plasticity is discussed.

Thin fused silica shells for high-resolution and large collecting area x-ray telescopes (like Lynx/XRS)

NASA Astrophysics Data System (ADS)

Civitani, M. M.; Hołyszko, J.; Vecchi, G.; Basso, S.; Citterio, O.; Ghigo, M.; Pareschi, G.; Parodi, G.; Incorvaia, S.

2017-09-01

The implementation of an X-ray mission with high imaging capabilities, similar to those achieved with Chandra (< 1 arc second Half Energy Width, HEW), but with a much larger throughput (2.5 m2 effective area @1 keV), represents a compelling request by the scientific community. To this end the Lynx/XRS mission is being studied in USA, with the participation of international partners. In order to figure out the challenging technological task of the mirror fabrication, different approaches are considered, based on monolithic and segmented shells. Starting from the experience done on the glass prototypal shell realized in the past years, the direct polishing of thin (2 mm thick) fused silica monolithic shells is being investigated as a possible solution. A temporary stiffening structure is designed to support the shell during the figuring and polishing operations and to manage the handling up to its integration in the telescope structure. After the grinding and the polishing phases, in order to achieve the required surface accuracy, a final ion beam figuring correction is foreseen. In this paper, we present the technological process and the results achieved so far on a prototypal shell under development.

Finite Element Analysis of Geodesically Stiffened Cylindrical Composite Shells Using a Layerwise Theory

NASA Technical Reports Server (NTRS)

Gerhard, Craig Steven; Gurdal, Zafer; Kapania, Rakesh K.

1996-01-01

Layerwise finite element analyses of geodesically stiffened cylindrical shells are presented. The layerwise laminate theory of Reddy (LWTR) is developed and adapted to circular cylindrical shells. The Ritz variational method is used to develop an analytical approach for studying the buckling of simply supported geodesically stiffened shells with discrete stiffeners. This method utilizes a Lagrange multiplier technique to attach the stiffeners to the shell. The development of the layerwise shells couples a one-dimensional finite element through the thickness with a Navier solution that satisfies the boundary conditions. The buckling results from the Ritz discrete analytical method are compared with smeared buckling results and with NASA Testbed finite element results. The development of layerwise shell and beam finite elements is presented and these elements are used to perform the displacement field, stress, and first-ply failure analyses. The layerwise shell elements are used to model the shell skin and the layerwise beam elements are used to model the stiffeners. This arrangement allows the beam stiffeners to be assembled directly into the global stiffness matrix. A series of analytical studies are made to compare the response of geodesically stiffened shells as a function of loading, shell geometry, shell radii, shell laminate thickness, stiffener height, and geometric nonlinearity. Comparisons of the structural response of geodesically stiffened shells, axial and ring stiffened shells, and unstiffened shells are provided. In addition, interlaminar stress results near the stiffener intersection are presented. First-ply failure analyses for geodesically stiffened shells utilizing the Tsai-Wu failure criterion are presented for a few selected cases.

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

Blunden, P. G.; Melnitchouk, W.

We examine the two-photon exchange corrections to elastic electron-nucleon scattering within a dispersive approach, including contributions from both nucleon and Δ intermediate states. The dispersive analysis avoids off-shell uncertainties inherent in traditional approaches based on direct evaluation of loop diagrams, and guarantees the correct unitary behavior in the high energy limit. Using empirical information on the electromagnetic nucleon elastic and NΔ transition form factors, we compute the two-photon exchange corrections both algebraically and numerically. Finally, results are compared with recent measurements of e + p to e - p cross section ratios from the CLAS, VEPP-3 and OLYMPUS experiments.

Shell structures of assemblies of equicharged particles subject to radial power-law confining potentials.

PubMed

Cioslowski, Jerzy

2010-12-21

Constituting the simplest generalization of spherical Coulomb crystals, assemblies of N equicharged particles confined by radial potentials proportional to the λth power of distance are amenable to rigorous analysis within the recently introduced shell model. Thanks to the power scaling of the confining potential and the resulting pruning property of the shell configurations (i.e., the lists of shell occupancies), the shell-model estimates of the energies and the mean radii of such assemblies at equilibrium geometries follow simple recursive formulas. The formulas greatly facilitate derivations of the first two leading terms in the large-N asymptotics of these estimates, which are given by power series in ξ(4/3) N(-2/3), where -(ξ/2) n(3/2) is the leading angular-correlation correction to the minimum energy of n electrons on the surface of a sphere with a unit radius (the solution of the Thomson problem). Although the scaled occupancies of the outermost shells conform to a universal scaling law, the actual filling of the shells tends to follow rather irregular patterns that vary strongly with λ. However, the number of shells K(N) for a given N decreases in general upon an increase in the power-law exponent, which is due to the (λ + 1)(2) ξ(2) dependence of shell capacities that roughly measure the maximum numbers of particles sustainable within individual shells. Several types of configuration transitions (i.e., the changes in the number of shells upon addition of one particle) are observed in the crystals with up to 10,000 particles and integer values of λ between 1 and 10, but the rule |K(N + 1)-K(N)| ≤ 1 is found to be strictly obeyed.

Comparative study of shell swab and shell crush methods for the recovery of Salmonella from shell eggs

USDA-ARS?s Scientific Manuscript database

Egg associated Salmonella Enteritidis outbreaks have been a major cause of foodborne illness in Japan as well as in the United States and several European countries. Researchers have been attempting to develop a rapid and highly sensitive method for the recovery of microorganisms from shell eggs. ...

Radial overlap correction to superallowed 0+→0+ β decay reexamined

NASA Astrophysics Data System (ADS)

Xayavong, L.; Smirnova, N. A.

2018-02-01

Within the nuclear shell model, we investigate the correction δR O to the Fermi matrix element due to a mismatch between proton and neutron single-particle radial wave functions. Eight superallowed 0+→0+ β decays in the s d shell, comprising 22Mg, Alm26, 26Si, 30S, 34Cl, 34Ar, Km38, and 38Ca, are reexamined. The radial wave functions are obtained from a spherical Woods-Saxon potential whose parametrizations are optimized in a consistent adjustment of the depth and the length parameters to relevant experimental observables, such as nucleon separation energies and charge radii, respectively. The chosen fit strategy eliminates the strong dependence of the radial mismatch correction to a specific parametrization, except for calculations with an additional surface-peaked term. As an improvement, our model proposes a new way to calculate the charge radii, based on a parentage expansion which accounts for correlations beyond the extreme independent-particle model. Apart from the calculations with a surface-peak term and the cases where we used a different model space, the new sets of δR O are in general agreement with the earlier result of Towner and Hardy [Phys. Rev. C 66, 035501 (2002), 10.1103/PhysRevC.66.035501]. Small differences of the corrected average F t ¯ value are observed.

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

DOE PAGES

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J.; ...

2017-06-27

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2(formate) 4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2, even including corrections for the dispersion forces. In contrast, a multireferencemore » wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.« less

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks.

PubMed

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J; Gagliardi, Laura; Smit, Berend

2017-07-20

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper-CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2 (formate) 4 . We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2 , even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller-Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

PubMed Central

2017-01-01

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate)2 and dicopper Cu2(formate)4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO2, even including corrections for the dispersion forces. In contrast, a multireference wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems. PMID:28751926

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

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

Ongari, Daniele; Tiana, Davide; Stoneburner, Samuel J.

The copper paddle-wheel is the building unit of many metal organic frameworks. Because of the ability of the copper cations to attract polar molecules, copper paddle-wheels are promising for carbon dioxide adsorption and separation. They have therefore been studied extensively, both experimentally and computationally. In this work we investigate the copper–CO 2 interaction in HKUST-1 and in two different cluster models of HKUST-1: monocopper Cu(formate) 2 and dicopper Cu 2(formate) 4. We show that density functional theory methods severely underestimate the interaction energy between copper paddle-wheels and CO 2, even including corrections for the dispersion forces. In contrast, a multireferencemore » wave function followed by perturbation theory to second order using the CASPT2 method correctly describes this interaction. The restricted open-shell Møller–Plesset 2 method (ROS-MP2, equivalent to (2,2) CASPT2) was also found to be adequate in describing the system and used to develop a novel force field. Our parametrization is able to predict the experimental CO 2 adsorption isotherms in HKUST-1, and it is shown to be transferable to other copper paddle-wheel systems.« less

Containers and systems for the measurement of radioactive gases and related methods

DOEpatents

Mann, Nicholas R; Watrous, Matthew G; Oertel, Christopher P; McGrath, Christopher A

2017-06-20

Containers for a fluid sample containing a radionuclide for measurement of radiation from the radionuclide include an outer shell having one or more ports between an interior and an exterior of the outer shell, and an inner shell secured to the outer shell. The inner shell includes a detector receptacle sized for at least partial insertion into the outer shell. The inner shell and outer shell together at least partially define a fluid sample space. The outer shell and inner shell are configured for maintaining an operating pressure within the fluid sample space of at least about 1000 psi. Systems for measuring radioactivity in a fluid include such a container and a radiation detector received at least partially within the detector receptacle. Methods of measuring radioactivity in a fluid sample include maintaining a pressure of a fluid sample within a Marinelli-type container at least at about 1000 psi.

Method for Detecting Perlite Compaction in Large Cryogenic Tanks

NASA Technical Reports Server (NTRS)

Youngquist, Robert

2010-01-01

Perlite is the most typical insulating powder used to separate the inner and outer shells of cryogenic tanks. The inner tank holds the low-temperature commodity, while the outer shell is exposed to the ambient temperature. Perlite minimizes radiative energy transfer between the two tanks. Being a powder, perlite will settle over time, leading to the danger of transferring any loads from the inner shell to the outer shell. This can cause deformation of the outer shell, leading to damaged internal fittings. The method proposed is to place strain or displacement sensors on several locations of the outer shell. Loads induced on the shell by the expanding inner shell and perlite would be monitored, providing an indication of the location and degree of compaction.

Elastoplastic State of an Elliptical Cylindrical Shell with a Circular Hole

NASA Astrophysics Data System (ADS)

Storozhuk, E. A.; Chernyshenko, I. S.; Pigol', O. V.

2017-11-01

Static problems for an elastoplastic elliptical cylindrical shell with a circular hole are formulated and a numerical method for solving it is developed. The basic equations are derived using the Kirchhoff-Love theory of deep shells and the theory of small elastoplastic strains. The method employs the method of additional stresses and the finite-element method. The influence of plastic strains and geometrical parameters of the shell subject to internal pressure on the distributions of stresses, strains, and displacements in the zone of their concentration is studied.

Microcapsule and methods of making and using microcapsules

DOEpatents

Okawa, David C.; Pastine, Stefan J.; Zettl, Alexander K.; Frechet, Jean M.J.

2014-09-02

An embodiment of a microcapsule includes a shell surrounding a space, a liquid within the shell, and a light absorbing material within the liquid. An embodiment of a method of making microcapsules includes forming a mixture of a light absorbing material and an organic solution. An emulsion of the mixture and an aqueous solution is then formed. A polymerization agent is added to the emulsion, which causes microcapsules to be formed. Each microcapsule includes a shell surrounding a space, a liquid within the shell, and light absorbing material within the liquid. An embodiment of a method of using microcapsules includes providing phototriggerable microcapsules within a bulk material. Each of the phototriggerable microcapsules includes a shell surrounding a space, a chemically reactive material within the shell, and a light absorbing material within the shell. At least some of the phototriggerable microcapsules are exposed to light, which causes the chemically reactive material to release from the shell and to come into contact with bulk material.

Evaluating 99mTc Auger electrons for targeted tumor radiotherapy by computational methods.

PubMed

Tavares, Adriana Alexandre S; Tavares, João Manuel R S

2010-07-01

Technetium-99m (99mTc) has been widely used as an imaging agent but only recently has been considered for therapeutic applications. This study aims to analyze the potential use of 99mTc Auger electrons for targeted tumor radiotherapy by evaluating the DNA damage and its probability of correct repair and by studying the cellular kinetics, following 99mTc Auger electron irradiation in comparison to iodine-131 (131I) beta minus particles and astatine-211 (211At) alpha particle irradiation. Computational models were used to estimate the yield of DNA damage (fast Monte Carlo damage algorithm), the probability of correct repair (Monte Carlo excision repair algorithm), and cell kinetic effects (virtual cell radiobiology algorithm) after irradiation with the selected particles. The results obtained with the algorithms used suggested that 99mTc CKMMX (all M-shell Coster-Kroning--CK--and super-CK transitions) electrons and Auger MXY (all M-shell Auger transitions) have a therapeutic potential comparable to high linear energy transfer 211At alpha particles and higher than 131I beta minus particles. All the other 99mTc electrons had a therapeutic potential similar to 131I beta minus particles. 99mTc CKMMX electrons and Auger MXY presented a higher probability to induce apoptosis than 131I beta minus particles and a probability similar to 211At alpha particles. Based on the results here, 99mTc CKMMX electrons and Auger MXY are useful electrons for targeted tumor radiotherapy.

Communication: a density functional with accurate fractional-charge and fractional-spin behaviour for s-electrons.

PubMed

Johnson, Erin R; Contreras-García, Julia

2011-08-28

We develop a new density-functional approach combining physical insight from chemical structure with treatment of multi-reference character by real-space modeling of the exchange-correlation hole. We are able to recover, for the first time, correct fractional-charge and fractional-spin behaviour for atoms of groups 1 and 2. Based on Becke's non-dynamical correlation functional [A. D. Becke, J. Chem. Phys. 119, 2972 (2003)] and explicitly accounting for core-valence separation and pairing effects, this method is able to accurately describe dissociation and strong correlation in s-shell many-electron systems. © 2011 American Institute of Physics

Electronic and Spectral Properties of RRhSn (R = Gd, Tb) Intermetallic Compounds

NASA Astrophysics Data System (ADS)

Knyazev, Yu. V.; Lukoyanov, A. V.; Kuz'min, Yu. I.; Gupta, S.; Suresh, K. G.

2018-02-01

The investigations of electronic structure and optical properties of GdRhSn and TbRhSn were carried out. The calculations of band spectrum, taking into account the spin polarization, were performed in a local electron density approximation with a correction for strong correlation effects in 4f shell of rare earth metal (LSDA + U method). The optical studies were done by ellipsometry in a wide range of wavelengths, and the set of spectral and electronic characteristics was determined. It was shown that optical absorption in a region of interband transitions has a satisfactory explanation within a scope of calculations of density of electronic states carried out.

[Correction of schoolchildren's diets with biologically active additives].

PubMed

Diudiakov, A A; Rakhmanov, R S; Korotunov, Iu V; Gruzdeva, A E

2002-01-01

The actual nutrition of schoolchildren in the Nizni-Novgorod district is imbalanced due to the deficiency of protein and vitamins and to the high contents of fats and carbohydrates. The authors provide evidence for a combined preparation to correct the children's diets, which incorporates animal protein, biologically active plant additives, and egg-shell calcium. The use of the preparation in combination with liquid bifidumbacterin contributes to increases in morphofunctional parameters in adolescents.

Graded core/shell semiconductor nanorods and nanorod barcodes

DOEpatents

Alivisatos, A. Paul; Scher, Erik C.; Manna, Liberato

2010-12-14

Graded core/shell semiconductor nanorods and shaped nanorods are disclosed comprising Group II-VI, Group III-V and Group IV semiconductors and methods of making the same. Also disclosed are nanorod barcodes using core/shell nanorods where the core is a semiconductor or metal material, and with or without a shell. Methods of labeling analytes using the nanorod barcodes are also disclosed.

Graded core/shell semiconductor nanorods and nanorod barcodes

DOEpatents

Alivisatos, A. Paul; Scher, Erik C.; Manna, Liberato

2013-03-26

Graded core/shell semiconductor nanorods and shapped nanorods are disclosed comprising Group II-VI, Group III-V and Group IV semiconductors and methods of making the same. Also disclosed are nanorod barcodes using core/shell nanorods where the core is a semiconductor or metal material, and with or without a shell. Methods of labeling analytes using the nanorod barcodes are also disclosed.

Soft template synthesis of yolk/silica shell particles.

PubMed

Wu, Xue-Jun; Xu, Dongsheng

2010-04-06

Yolk/shell particles possess a unique structure that is composed of hollow shells that encapsulate other particles but with an interstitial space between them. These structures are different from core/shell particles in that the core particles are freely movable in the shell. Yolk/shell particles combine the properties of each component, and can find potential applications in catalysis, lithium ion batteries, and biosensors. In this Research News article, a soft-template-assisted method for the preparation of yolk/silica shell particles is presented. The demonstrated method is simple and general, and can produce hollow silica spheres incorporated with different particles independent of their diameters, geometry, and composition. Furthermore, yolk/mesoporous silica shell particles and multishelled particles are also prepared through optimization of the experimental conditions. Finally, potential applications of these particles are discussed.

Towards a Probabilistic Preliminary Design Criterion for Buckling Critical Composite Shells

NASA Technical Reports Server (NTRS)

Arbocz, Johann; Hilburger, Mark W.

2003-01-01

A probability-based analysis method for predicting buckling loads of compression-loaded laminated-composite shells is presented, and its potential as a basis for a new shell-stability design criterion is demonstrated and discussed. In particular, a database containing information about specimen geometry, material properties, and measured initial geometric imperfections for a selected group of laminated-composite cylindrical shells is used to calculate new buckling-load "knockdown factors". These knockdown factors are shown to be substantially improved, and hence much less conservative than the corresponding deterministic knockdown factors that are presently used by industry. The probability integral associated with the analysis is evaluated by using two methods; that is, by using the exact Monte Carlo method and by using an approximate First-Order Second- Moment method. A comparison of the results from these two methods indicates that the First-Order Second-Moment method yields results that are conservative for the shells considered. Furthermore, the results show that the improved, reliability-based knockdown factor presented always yields a safe estimate of the buckling load for the shells examined.

Large-scale shell-model calculation with core excitations for neutron-rich nuclei beyond 132Sn

NASA Astrophysics Data System (ADS)

Jin, Hua; Hasegawa, Munetake; Tazaki, Shigeru; Kaneko, Kazunari; Sun, Yang

2011-10-01

The structure of neutron-rich nuclei with a few nucleons beyond 132Sn is investigated by means of large-scale shell-model calculations. For a considerably large model space, including neutron core excitations, a new effective interaction is determined by employing the extended pairing-plus-quadrupole model with monopole corrections. The model provides a systematical description for energy levels of A=133-135 nuclei up to high spins and reproduces available data of electromagnetic transitions. The structure of these nuclei is analyzed in detail, with emphasis of effects associated with core excitations. The results show evidence of hexadecupole correlation in addition to octupole correlation in this mass region. The suggested feature of magnetic rotation in 135Te occurs in the present shell-model calculation.

On physical and numerical instabilities arising in simulations of non-stationary radiatively cooling shocks

NASA Astrophysics Data System (ADS)

Badjin, D. A.; Glazyrin, S. I.; Manukovskiy, K. V.; Blinnikov, S. I.

2016-06-01

We describe our modelling of the radiatively cooling shocks and their thin shells with various numerical tools in different physical and calculational setups. We inspect structure of the dense shell, its formation and evolution, pointing out physical and numerical factors that sustain its shape and also may lead to instabilities. We have found that under certain physical conditions, the circular shaped shells show a strong bending instability and successive fragmentation on Cartesian grids soon after their formation, while remain almost unperturbed when simulated on polar meshes. We explain this by physical Rayleigh-Taylor-like instabilities triggered by corrugation of the dense shell surfaces by numerical noise. Conditions for these instabilities follow from both the shell structure itself and from episodes of transient acceleration during re-establishing of dynamical pressure balance after sudden radiative cooling onset. They are also easily excited by physical perturbations of the ambient medium. The widely mentioned non-linear thin shell instability, in contrast, in tests with physical perturbations is shown to have only limited chances to develop in real radiative shocks, as it seems to require a special spatial arrangement of fluctuations to be excited efficiently. The described phenomena also set new requirements on further simulations of the radiatively cooling shocks in order to be physically correct and free of numerical artefacts.

Detailed Investigation of Core-Shell Precipitates in a Cu-Containing High Entropy Alloy

NASA Astrophysics Data System (ADS)

Alam, T.; Gwalani, B.; Viswanathan, G.; Fraser, H.; Banerjee, R.

2018-05-01

Due to the competing influences of configurational entropy and enthalpy of mixing, in recent years, secondary (including intermetallic) phases have been reported in many high entropy alloy (HEA) systems. These secondary phases offer great potential in terms of strengthening the HEA beyond the solid solution strengthening effects, and as such are of great interest in regards to alloy design for engineering applications. The present research investigates novel nano-scale core-shell precipitates forming within the disordered bcc matrix phase of an Al2CrCuFeNi2 HEA, utilizing complementary high-resolution microscopy techniques of atom probe tomography (APT) and transmission electron microscopy (TEM). The size, morphology, and local chemistry of these core-shell precipitates was measured by APT, and the composition was further corroborated by high-resolution scanning transmission electron microscopy-energy dispersive spectroscopy in an aberration-corrected TEM. Furthermore, high-resolution TEM imaging of the core-shell structure indicates that the Cu-rich core exhibits a bcc crystal structure.

MULTI-KEV X-RAY YIELDS FROM HIGH-Z GAS TARGETS FIELDED AT OMEGA

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

Kane, J O; Fournier, K B; May, M J

2010-11-04

The authors report on modeling of x-ray yield from gas-filled targets shot at the OMEGA laser facility. The OMEGA targets were 1.8 mm long, 1.95 mm in diameter Be cans filled with either a 50:50 Ar:Xe mixture, pure Ar, pure Kr or pure Xe at {approx} 1 atm. The OMEGA experiments heated the gas with 20 kJ of 3{omega} ({approx} 350 nm) laser energy delivered in a 1 ns square pulse. the emitted x-ray flux was monitored with the x-ray diode based DANTE instruments in the sub-keV range. Two-dimensional x-ray images (for energies 3-5 keV) of the targets were recordedmore » with gated x-ray detectors. The x-ray spectra were recorded with the HENWAY crystal spectrometer at OMEGA. Predictions are 2D r-z cylindrical with DCA NLTE atomic physics. Models generally: (1) underpredict the Xe L-shell yields; (2) overpredict the Ar K-shell yields; (3) correctly predict the Xe thermal yields; and (4) greatly underpredict the Ar thermal yields. However, there are spreads within the data, e.g. the DMX Ar K-shell yields are correctly predicted. The predicted thermal yields show strong angular dependence.« less

Experimental artefacts occurring during atom probe tomography analysis of oxide nanoparticles in metallic matrix: Quantification and correction

NASA Astrophysics Data System (ADS)

Hatzoglou, C.; Radiguet, B.; Pareige, P.

2017-08-01

Oxide Dispersion Strengthened (ODS) steels are promising candidates for future nuclear reactors, partly due to the fine dispersion of the nanoparticles they contain. Until now, there was no consensus as to the nature of the nanoparticles because their analysis pushed the techniques to their limits and in consequence, introduced some artefacts. In this study, the artefacts that occur during atom probe tomography analysis are quantified. The artefacts quantification reveals that the particles morphology, chemical composition and atomic density are biased. A model is suggested to correct these artefacts in order to obtain a fine and accurate characterization of the nanoparticles. This model is based on volume fraction calculation and an analytical expression of the atomic density. Then, the studied ODS steel reveals nanoparticles, pure in Y, Ti and O, with a core/shell structure. The shell is rich in Cr. The Cr content of the shell is dependent on that of the matrix by a factor of 1.5. This study also shows that 15% of the atoms that were initially in the particles are not detected during the analysis. This only affects O atoms. The particle stoichiometry evolves from YTiO2 for the smallest observed (<2 nm) to Y2TiO5 for the biggest (>8 nm).

Aerosol fabrication methods for monodisperse nanoparticles

DOEpatents

Jiang, Xingmao; Brinker, C Jeffrey

2014-10-21

Exemplary embodiments provide materials and methods for forming monodisperse particles. In one embodiment, the monodisperse particles can be formed by first spraying a nanoparticle-containing dispersion into aerosol droplets and then heating the aerosol droplets in the presence of a shell precursor to form core-shell particles. By removing either the shell layer or the nanoparticle core of the core-shell particles, monodisperse nanoparticles can be formed.

Method of fabricating nested shells and resulting product

DOEpatents

Henderson, Timothy M.; Kool, Lawrence B.

1982-01-01

A multiple shell structure and a method of manufacturing such structure wherein a hollow glass microsphere is surface treated in an organosilane solution so as to render the shell outer surface hydrophobic. The surface treated glass shell is then suspended in the oil phase of an oil-aqueous phase dispersion. The oil phase includes an organic film-forming monomer, a polymerization initiator and a blowing agent. A polymeric film forms at each phase boundary of the dispersion and is then expanded in a blowing operation so as to form an outer homogeneously integral monocellular substantially spherical thermoplastic shell encapsulating an inner glass shell of lesser diameter.

Unitary Fermi gas in a harmonic trap

NASA Astrophysics Data System (ADS)

Chang, S. Y.; Bertsch, G. F.

2007-08-01

We present an ab initio calculation of small numbers of trapped, strongly interacting fermions using the Green’s function Monte Carlo method. The ground-state energy, density profile, and pairing gap are calculated for particle numbers N=2 22 using the parameter-free “unitary” interaction. Trial wave functions are taken in the form of correlated pairs in a harmonic oscillator basis. We find that the lowest energies are obtained with a minimum explicit pair correlation beyond that needed to exploit the degeneracy of oscillator states. We find that the energies can be well fitted by the expression aTFETF+Δmod(N,2) where ETF is the Thomas-Fermi energy of a noninteracting gas in the trap and Δ is the pairing gap. There is no evidence of a shell correction energy in the systematics, but the density distributions show pronounced shell effects. We find the value Δ=0.7±0.2ω for the pairing gap. This is smaller than the value found for the uniform gas at a density corresponding to the central density of the trapped gas.

Laurentide Ice Sheet Meltwater Geochemistry During the MIS 3 Warm Phase from Single-Shell Trace Element and Isotope Measurements

NASA Astrophysics Data System (ADS)

Branson, O.; Vetter, L.; Fehrenbacher, J. S.; Spero, H. J.

2016-12-01

The geochemical variability between individual foraminifera within single core intervals records both palaeo-oecanographic conditions and ecology. Within the biological context of foraminiferal species, this population variability may be interpreted to provide unparalleled paleoenvironmental information. For example, coupled trace element and stable isotope analyses of single O. universa offer a powerful tool for reconstructing the δ18O of Laurentide Ice Sheet (LIS) meltwater, by calculating the intercept between temperature-corrected δ18O water and Ba/Ca salinity estimates (Vetter et al., in review). This offers valuable insights into the dynamics of ice sheet melting at the end of the last glacial maximum. Here we apply similar coupled single-shell laser ablation (LA-ICP-MS) and isotope ratio mass spectrometry (IRMS) techniques to explore the δ18O of Laurentide meltwater during H4 and bracketing intervals. The application of these methods to down-core samples requires the development of robust LA-ICP-MS data processing techniques to identify primary signals within Ba contaminated samples, and careful consideration of palaeo Ba/Ca-salinity relationships. Our analyses offer a significant advance in systematic LA-ICP-MS data processing methods, offer constraints on the variability of riverine Ba fluxes, and ultimately provide δ18O estimates of LIS meltwater during H4.

Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron Nitride.

PubMed

Reimers, Jeffrey R; Sajid, A; Kobayashi, Rika; Ford, Michael J

2018-03-13

Defect states in 2-D materials present many possible uses but both experimental and computational characterization of their spectroscopic properties is difficult. We provide and compare results from 13 DFT and ab initio computational methods for up to 25 excited states of a paradigm system, the V N C B defect in hexagonal boron nitride (h-BN). Studied include: (i) potentially catastrophic effects for computational methods arising from the multireference nature of the closed-shell and open-shell states of the defect, which intrinsically involves broken chemical bonds, (ii) differing results from DFT and time-dependent DFT (TDDFT) calculations, (iii) comparison of cluster models to periodic-slab models of the defect, (iv) the starkly differing effects of nuclear relaxation on the various electronic states that control the widths of photoabsorption and photoemission spectra as broken bonds try to heal, (v) the effect of zero-point energy and entropy on free-energy differences, (vi) defect-localized and conduction/valence-band transition natures, and (vii) strategies needed to ensure that the lowest-energy state of a defect can be computationally identified. Averaged state-energy differences of 0.3 eV are found between CCSD(T) and MRCI energies, with thermal effects on free energies sometimes also being of this order. However, DFT-based methods can perform very poorly. Simple generalized-gradient functionals like PBE fail at the most basic level and should never be applied to defect states. Hybrid functionals like HSE06 work very well for excitations within the triplet manifold of the defect, with an accuracy equivalent to or perhaps exceeding the accuracy of the ab initio methods used. However, HSE06 underestimates triplet-state energies by on average of 0.7 eV compared to closed-shell singlet states, while open-shell singlet states are predicted to be too low in energy by 1.0 eV. This leads to misassignment of the ground state of the V N C B defect. Long-range corrected functionals like CAM-B3LYP are shown to work much better and to represent the current entry level for DFT calculations on defects. As significant differences between cluster and periodic-slab models are also found, the widespread implementation of such functionals in periodic codes is in urgent need.

Renormalization scheme dependence of the two-loop QCD corrections to the neutral Higgs-boson masses in the MSSM.

PubMed

Borowka, S; Hahn, T; Heinemeyer, S; Heinrich, G; Hollik, W

Reaching a theoretical accuracy in the prediction of the lightest MSSM Higgs-boson mass, [Formula: see text], at the level of the current experimental precision requires the inclusion of momentum-dependent contributions at the two-loop level. Recently two groups presented the two-loop QCD momentum-dependent corrections to [Formula: see text] (Borowka et al., Eur Phys J C 74(8):2994, 2014; Degrassi et al., Eur Phys J C 75(2):61, 2015), using a hybrid on-shell-[Formula: see text] scheme, with apparently different results. We show that the differences can be traced back to a different renormalization of the top-quark mass, and that the claim in Ref. Degrassi et al. (Eur Phys J C 75(2):61, 2015) of an inconsistency in Ref. Borowka et al. (Eur Phys J C 74(8):2994, 2014) is incorrect. We furthermore compare consistently the results for [Formula: see text] obtained with the top-quark mass renormalized on-shell and [Formula: see text]. The latter calculation has been added to the FeynHiggs package and can be used to estimate missing higher-order corrections beyond the two-loop level.

Feasibility study of shell buckling analysis using the modified structure method

NASA Technical Reports Server (NTRS)

Cohen, G. A.; Haftka, R. T.

1972-01-01

The modified structure method, which is based on Koiter's theory of imperfections, was used to calculate approximate buckling loads of several shells of revolution. The method does not appear to be practical for shells because, in many cases, the prebuckling nonlinearity may be too large to be treated accurately as a small imperfection.

Constraints on the off-shell Higgs boson signal strength in the high-mass ZZ and WW final states with the ATLAS detector.

PubMed

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Sinev, N B; Siragusa, G; Sisakyan, A N; Sivoklokov, S Yu; Sjölin, J; Sjursen, T B; Skinner, M B; Skottowe, H P; Skubic, P; Slater, M; Slavicek, T; Slawinska, M; Sliwa, K; Smakhtin, V; Smart, B H; Smestad, L; Smirnov, S Yu; Smirnov, Y; Smirnova, L N; Smirnova, O; Smith, M N K; Smizanska, M; Smolek, K; Snesarev, A A; Snidero, G; Snyder, S; Sobie, R; Socher, F; Soffer, A; Soh, D A; Solans, C A; Solar, M; Solc, J; Soldatov, E Yu; Soldevila, U; Solodkov, A A; Soloshenko, A; Solovyanov, O V; Solovyev, V; Sommer, P; Song, H Y; Soni, N; Sood, A; Sopczak, A; Sopko, B; Sopko, V; Sorin, V; Sosa, D; Sosebee, M; Sotiropoulou, C L; Soualah, R; Soueid, P; Soukharev, A M; South, D; Spagnolo, S; Spalla, M; Spanò, F; Spearman, W R; Spettel, F; Spighi, R; Spigo, G; Spiller, L A; Spousta, M; Spreitzer, T; Denis, R D St; Staerz, S; Stahlman, J; Stamen, R; Stamm, S; Stanecka, E; Stanescu, C; Stanescu-Bellu, M; Stanitzki, M M; Stapnes, S; Starchenko, E A; Stark, J; Staroba, P; Starovoitov, P; Staszewski, R; Stavina, P; Steinberg, P; Stelzer, B; Stelzer, H J; Stelzer-Chilton, O; Stenzel, H; Stern, S; Stewart, G A; Stillings, J A; Stockton, M C; Stoebe, M; Stoicea, G; Stolte, P; Stonjek, S; Stradling, A R; Straessner, A; Stramaglia, M E; Strandberg, J; Strandberg, S; Strandlie, A; Strauss, E; Strauss, M; Strizenec, P; Ströhmer, R; Strom, D M; Stroynowski, R; Strubig, A; Stucci, S A; Stugu, B; Styles, N A; Su, D; Su, J; Subramaniam, R; Succurro, A; Sugaya, Y; Suhr, C; Suk, M; Sulin, V V; Sultansoy, S; Sumida, T; Sun, S; Sun, X; Sundermann, J E; Suruliz, K; Susinno, G; Sutton, M R; Suzuki, S; Suzuki, Y; Svatos, M; Swedish, S; Swiatlowski, M; Sykora, I; Sykora, T; Ta, D; Taccini, C; Tackmann, K; Taenzer, J; Taffard, A; Tafirout, R; Taiblum, N; Takai, H; Takashima, R; Takeda, H; Takeshita, T; Takubo, Y; Talby, M; Talyshev, A A; Tam, J Y C; Tan, K G; Tanaka, J; Tanaka, R; Tanaka, S; Tanaka, S; Tannenwald, B B; Tannoury, N; Tapprogge, S; Tarem, S; Tarrade, F; Tartarelli, G F; Tas, P; Tasevsky, M; Tashiro, T; Tassi, E; Tavares Delgado, A; Tayalati, Y; Taylor, F E; Taylor, G N; Taylor, W; Teischinger, F A; Teixeira Dias Castanheira, M; Teixeira-Dias, P; Temming, K K; Ten Kate, H; Teng, P K; Teoh, J J; Tepel, F; Terada, S; Terashi, K; Terron, J; Terzo, S; Testa, M; Teuscher, R J; Therhaag, J; Theveneaux-Pelzer, T; Thomas, J P; Thomas-Wilsker, J; Thompson, E N; Thompson, P D; Thompson, R J; Thompson, A S; Thomsen, L A; Thomson, E; Thomson, M; Thun, R P; Tibbetts, M J; Torres, R E Ticse; Tikhomirov, V O; Tikhonov, Yu A; Timoshenko, S; Tiouchichine, E; Tipton, P; Tisserant, S; Todorov, T; Todorova-Nova, S; Tojo, J; Tokár, S; Tokushuku, K; Tollefson, K; Tolley, E; Tomlinson, L; Tomoto, M; Tompkins, L; Toms, K; Torrence, E; Torres, H; Torró Pastor, E; Toth, J; Touchard, F; Tovey, D R; Trefzger, T; Tremblet, L; Tricoli, A; Trigger, I M; Trincaz-Duvoid, S; Tripiana, M F; Trischuk, W; Trocmé, B; Troncon, C; Trottier-McDonald, M; Trovatelli, M; True, P; Trzebinski, M; Trzupek, A; Tsarouchas, C; Tseng, J C-L; Tsiareshka, P V; Tsionou, D; Tsipolitis, G; Tsirintanis, N; Tsiskaridze, S; Tsiskaridze, V; Tskhadadze, E G; Tsukerman, I I; Tsulaia, V; Tsuno, S; Tsybychev, D; Tudorache, A; Tudorache, V; Tuna, A N; Tupputi, S A; Turchikhin, S; Turecek, D; Turra, R; Turvey, A J; Tuts, P M; Tykhonov, A; Tylmad, M; Tyndel, M; Ueda, I; Ueno, R; Ughetto, M; Ugland, M; Uhlenbrock, M; Ukegawa, F; Unal, G; Undrus, A; Unel, G; Ungaro, F C; Unno, Y; Unverdorben, C; Urban, J; Urquijo, P; Urrejola, P; Usai, G; Usanova, A; Vacavant, L; Vacek, V; Vachon, B; Valderanis, C; Valencic, N; Valentinetti, S; Valero, A; Valery, L; Valkar, S; Valladolid Gallego, E; Vallecorsa, S; Valls Ferrer, J A; Van Den Wollenberg, W; Van Der Deijl, P C; van der Geer, R; van der Graaf, H; Van Der Leeuw, R; van Eldik, N; van Gemmeren, P; Van Nieuwkoop, J; van Vulpen, I; van Woerden, M C; Vanadia, M; Vandelli, W; Vanguri, R; Vaniachine, A; Vannucci, F; Vardanyan, G; Vari, R; Varnes, E W; Varol, T; Varouchas, D; Vartapetian, A; Varvell, K E; Vazeille, F; Vazquez Schroeder, T; Veatch, J; Veloso, F; Velz, T; Veneziano, S; Ventura, A; Ventura, D; Venturi, M; Venturi, N; Venturini, A; Vercesi, V; Verducci, M; Verkerke, W; Vermeulen, J C; Vest, A; Vetterli, M C; Viazlo, O; Vichou, I; Vickey, T; Vickey Boeriu, O E; Viehhauser, G H A; Viel, S; Vigne, R; Villa, M; Villaplana Perez, M; Vilucchi, E; Vincter, M G; Vinogradov, V B; Vivarelli, I; Vives Vaque, F; Vlachos, S; Vladoiu, D; Vlasak, M; Vogel, M; Vokac, P; Volpi, G; Volpi, M; von der Schmitt, H; von Radziewski, H; von Toerne, E; Vorobel, V; Vorobev, K; Vos, M; Voss, R; Vossebeld, J H; Vranjes, N; Vranjes Milosavljevic, M; Vrba, V; Vreeswijk, M; Vuillermet, R; Vukotic, I; Vykydal, Z; Wagner, P; Wagner, W; Wahlberg, H; Wahrmund, S; Wakabayashi, J; Walder, J; Walker, R; Walkowiak, W; Wang, C; Wang, F; Wang, H; Wang, H; Wang, J; Wang, J; Wang, K; Wang, R; Wang, S M; Wang, T; Wang, X; Wanotayaroj, C; Warburton, A; Ward, C P; Wardrope, D R; Warsinsky, M; Washbrook, A; Wasicki, C; Watkins, P M; Watson, A T; Watson, I J; Watson, M F; Watts, G; Watts, S; Waugh, B M; Webb, S; Weber, M S; Weber, S W; Webster, J S; Weidberg, A R; Weinert, B; Weingarten, J; Weiser, C; Weits, H; Wells, P S; Wenaus, T; Wengler, T; Wenig, S; Wermes, N; Werner, M; Werner, P; Wessels, M; Wetter, J; Whalen, K; Wharton, A M; White, A; White, M J; White, R; White, S; Whiteson, D; Wickens, F J; Wiedenmann, W; Wielers, M; Wienemann, P; Wiglesworth, C; Wiik-Fuchs, L A M; Wildauer, A; Wilkens, H G; Williams, H H; Williams, S; Willis, C; Willocq, S; Wilson, A; Wilson, J A; Wingerter-Seez, I; Winklmeier, F; Winter, B T; Wittgen, M; Wittkowski, J; Wollstadt, S J; Wolter, M W; Wolters, H; Wosiek, B K; Wotschack, J; Woudstra, M J; Wozniak, K W; Wu, M; Wu, M; Wu, S L; Wu, X; Wu, Y; Wyatt, T R; Wynne, B M; Xella, S; Xu, D; Xu, L; Yabsley, B; Yacoob, S; Yakabe, R; Yamada, M; Yamaguchi, Y; Yamamoto, A; Yamamoto, S; Yamanaka, T; Yamauchi, K; Yamazaki, Y; Yan, Z; Yang, H; Yang, H; Yang, Y; Yao, L; Yao, W-M; Yasu, Y; Yatsenko, E; Yau Wong, K H; Ye, J; Ye, S; Yeletskikh, I; Yen, A L; Yildirim, E; Yorita, K; Yoshida, R; Yoshihara, K; Young, C; Young, C J S; Youssef, S; Yu, D R; Yu, J; Yu, J M; Yu, J; Yuan, L; Yurkewicz, A; Yusuff, I; Zabinski, B; Zaidan, R; Zaitsev, A M; Zalieckas, J; Zaman, A; Zambito, S; Zanello, L; Zanzi, D; Zeitnitz, C; Zeman, M; Zemla, A; Zengel, K; Zenin, O; Ženiš, T; Zerwas, D; Zhang, D; Zhang, F; Zhang, J; Zhang, L; Zhang, R; Zhang, X; Zhang, Z; Zhao, X; Zhao, Y; Zhao, Z; Zhemchugov, A; Zhong, J; Zhou, B; Zhou, C; Zhou, L; Zhou, L; Zhou, N; Zhu, C G; Zhu, H; Zhu, J; Zhu, Y; Zhuang, X; Zhukov, K; Zibell, A; Zieminska, D; Zimine, N I; Zimmermann, C; Zimmermann, R; Zimmermann, S; Zinonos, Z; Zinser, M; Ziolkowski, M; Živković, L; Zobernig, G; Zoccoli, A; Zur Nedden, M; Zurzolo, G; Zwalinski, L

Measurements of the ZZ and WW final states in the mass range above the [Formula: see text] and [Formula: see text] thresholds provide a unique opportunity to measure the off-shell coupling strength of the Higgs boson. This paper presents constraints on the off-shell Higgs boson event yields normalised to the Standard Model prediction (signal strength) in the [Formula: see text], [Formula: see text] and [Formula: see text] final states. The result is based on pp collision data collected by the ATLAS experiment at the LHC, corresponding to an integrated luminosity of 20.3 fb[Formula: see text] at a collision energy of [Formula: see text] TeV. Using the [Formula: see text] method, the observed 95 [Formula: see text] confidence level (CL) upper limit on the off-shell signal strength is in the range 5.1-8.6, with an expected range of 6.7-11.0. In each case the range is determined by varying the unknown [Formula: see text] and [Formula: see text] background K-factor from higher-order quantum chromodynamics corrections between half and twice the value of the known signal K-factor. Assuming the relevant Higgs boson couplings are independent of the energy scale of the Higgs boson production, a combination with the on-shell measurements yields an observed (expected) 95 [Formula: see text] CL upper limit on [Formula: see text] in the range 4.5-7.5 (6.5-11.2) using the same variations of the background K-factor. Assuming that the unknown [Formula: see text] background K-factor is equal to the signal K-factor, this translates into an observed (expected) 95 [Formula: see text] CL upper limit on the Higgs boson total width of 22.7 (33.0) MeV.

Manufacturing Complicated Shells And Liners

NASA Technical Reports Server (NTRS)

Sobol, Paul J.; Faucher, Joseph E.

1993-01-01

Explosive forming, wax filling, and any one of welding, diffusion bonding, or brazing used in method of manufacturing large, complicated shell-and-liner vessels or structures. Method conceived for manufacture of film-cooled rocket nozzles but applicable to joining large coaxial shells and liners in general.

Method and apparatus for determining diameter and wall thickness of minute hollow spherical shells

DOEpatents

Steinman, D.A.

1980-05-30

Method and apparatus for determining diameter and wall thickness of hollow microspheres or shells wherein terminal velocities of shells traveling in fluid-filled conduits of differing diameters are measured. A wall-effect factor is determined as a ratio of the terminal velocities, and shell outside diameter may then be ascertained as a predetermined empirical function of wall-effect factor. For shells of known outside diameter, wall thickness may then be ascertained as a predetermined empirical function of terminal velocity in either conduit.

Method and apparatus for determining diameter and wall thickness of minute hollow spherical shells

DOEpatents

Steinman, David A.

1982-01-01

Method and apparatus for determining diameter and wall thickness of hollow microspheres or shells wherein terminal velocities of shells traveling in fluid-filled conduits of differing diameters are measured. A wall-effect factor is determined as a ratio of the terminal velocities, and shell outside diameter may then be ascertained as a predetermined empirical function of wall-effect factor. For shells of known outside diameter, wall thickness may then be ascertained as a predetermined empirical function of terminal velocity in either conduit.

Next-to-leading-order electroweak corrections to the production of three charged leptons plus missing energy at the LHC

NASA Astrophysics Data System (ADS)

Biedermann, Benedikt; Denner, Ansgar; Hofer, Lars

2017-10-01

The production of a neutral and a charged vector boson with subsequent decays into three charged leptons and a neutrino is a very important process for precision tests of the Standard Model of elementary particles and in searches for anomalous triple-gauge-boson couplings. In this article, the first computation of next-to-leading-order electroweak corrections to the production of the four-lepton final states μ + μ -e+ ν e, {μ}+{μ}-{e}-{\\overline{ν}}e , μ + μ - μ + ν μ , and {μ}+{μ}-{μ}-{\\overline{ν}}_{μ } at the Large Hadron Collider is presented. We use the complete matrix elements at leading and next-to-leading order, including all off-shell effects of intermediate massive vector bosons and virtual photons. The relative electroweak corrections to the fiducial cross sections from quark-induced partonic processes vary between -3% and -6%, depending significantly on the event selection. At the level of differential distributions, we observe large negative corrections of up to -30% in the high-energy tails of distributions originating from electroweak Sudakov logarithms. Photon-induced contributions at next-to-leading order raise the leading-order fiducial cross section by +2%. Interference effects in final states with equal-flavour leptons are at the permille level for the fiducial cross section, but can lead to sizeable effects in off-shell sensitive phase-space regions.

Parametric Studies Of Lightweight Reflectors Supported On Linear Actuator Arrays

NASA Astrophysics Data System (ADS)

Seibert, George E.

1987-10-01

This paper presents the results of numerous design studies carried out at Perkin-Elmer in support of the design of large diameter controllable mirrors for use in laser beam control, surveillance, and astronomy programs. The results include relationships between actuator location and spacing and the associated degree of correctability attainable for a variety of faceplate configurations subjected to typical disturbance environments. Normalizations and design curves obtained from closed-form equations based on thin shallow shell theory and computer based finite-element analyses are presented for use in preliminary design estimates of actuator count, faceplate structural properties, system performance prediction and weight assessments. The results of the analyses were obtained from a very wide range of mirror configurations, including both continuous and segmented mirror geometries. Typically, the designs consisted of a thin facesheet controlled by point force actuators which in turn were mounted on a structurally efficient base panel, or "reaction structure". The faceplate materials considered were fused silica, ULE fused silica, Zerodur, aluminum and beryllium. Thin solid faceplates as well as rib-reinforced cross-sections were treated, with a wide variation in thickness and/or rib patterns. The magnitude and spatial frequency distribution of the residual or uncorrected errors were related to the input error functions for mirrors of many different diameters and focal ratios. The error functions include simple sphere-to-sphere corrections, "parabolization" of spheres, and higher spatial frequency input error maps ranging from 0.5 to 7.5 cycles per diameter. The parameter which dominates all of the results obtained to date, is a structural descriptor of thin shell behavior called the characteristic length. This parameter is a function of the shell's radius of curvature, thickness, and Poisson's ratio of the material used. The value of this constant, in itself, describes the extent to which the deflection under a point force is localized by the shell's curvature. The deflection shape is typically a near-gaussian "bump" with a zero-crossing at a local radius of approximately 3.5 characteristic lengths. The amplitude is a function of the shells elastic modulus, radius, and thickness, and is linearly proportional to the applied force. This basic shell behavior is well-treated in an excellent set of papers by Eric Reissner entitled "Stresses and Small Displacements of Shallow Spherical Shells".1'2 Building on the insight offered by these papers, we developed our design tools around two derived parameters, the ratio of the mirror's diameter to its characteristic length (D/l), and the ratio of the actuator spacing to the characteristic length (b/l). The D/1 ratio determines the "finiteness" of the shell, or its dependence on edge boundary conditions. For D/1 values greater than 10, the influence of edges is almost totally absent on interior behavior. The b/1 ratio, the basis of all our normalizations is the most universal term in the description of correctability or ratio of residual/input errors. The data presented in the paper, shows that the rms residual error divided by the peak amplitude of the input error function is related to the actuator spacing to characteristic length ratio by the following expression RMS Residual Error b 3.5 k (I) (1) Initial Error Ampl. The value of k ranges from approximately 0.001 for low spatial frequency initial errors up to 0.05 for higher error frequencies (e.g. 5 cycles/diameter). The studies also yielded insight to the forces required to produce typical corrections at both the center and edges of the mirror panels. Additionally, the data lends itself to rapid evaluation of the effects of trading faceplate weight for increased actuator count,

The spectrum of the variable planetary nebula IC 4997

NASA Technical Reports Server (NTRS)

Hyung, Siek; Aller, Lawrence H.; Feibelman, Walter A.

1994-01-01

The compact, dusty, presumably young planetary nebula (PN) IC 4997 has been studied extensively since the variability of the lambda 4363/lambda 4340 ratio was established in 1956. Since 1938, other nebular lines have shown changes. IC 4997 is also unique because of the great density range revealed by its spectrum which goes in excitation from Mg I to (Ar IV). We present a detailed listing of spectral lines from 360 to 1005 nm. The diagnostic diagram shows that the spectrum can be interpreted only in terms of strata with a huge density gamut. Essential spectral features can be reproduced approximately by a model consisting of a geometrically thin shell of density around 10(exp 7) atoms cm(exp -3), surrounded by a much larger shell with a density of about 10(exp 4) atoms cm(exp -3). The actual, certainly more complex structure can be evaluated only when high resolution spatial imaging is at hand. The usual method of getting abundances from N(ion)/N(H(+)) and ionization correction factors (ICFs) cannot be applied here. It is argued that a reasonable theoretical model that represents the spectrum provides a valid initial approximation to nebular abundances. We propose that the chemical composition of IC 4997 does not differ greatly from that of the Sun. The finally adopted model suggests that the ejection of the material destined to form the inner shell occurred between 1900 and 1960, but observational evidence of such an ejection event is lacking. Perhaps the shell was accelerated. A need for further study is emphasized, especially the role of dust which appears to contribute 2% of the total mass. More attention to this object is recommended. An accurate measurement of its distance is especially desirable.

Microscopic description of quadrupole collectivity in neutron-rich nuclei across the N = 126 shell closure

NASA Astrophysics Data System (ADS)

Rodríguez-Guzmán, R.; Robledo, L. M.; Sharma, M. M.

2015-06-01

The quadrupole collectivity in Nd, Sm, Gd, Dy, Er, Yb, Hf and W nuclei with neutron numbers 122 ≤ N ≤ 156 is studied, both at the mean field level and beyond, using the Gogny energy density functional. Besides the robustness of the N = 126 neutron shell closure, it is shown that the onset of static deformations in those isotopic chains with increasing neutron number leads to an enhanced stability and further extends the corresponding two-neutron drip lines far beyond what could be expected from spherical calculations. Independence of the mean-field predictions with respect to the particular version of the Gogny energy density functional employed is demonstrated by comparing results based on the D1S and D1M parameter sets. Correlations beyond mean field are taken into account in the framework of the angular momentum projected generator coordinate method calculation. It is shown that N = 126 remains a robust neutron magic number when dynamical effects are included. The analysis of the collective wave functions, average deformations and excitation energies indicate that, with increasing neutron number, the zero-point quantum corrections lead to dominant prolate configurations in the 0{1/+}, 0{2/+}, 2{1/+} and 2{2/+} states of the studied nuclei. Moreover, those dynamical deformation effects provide an enhanced stability that further supports the mean-field predictions, corroborating a shift of the r-process path to higher neutron numbers. Beyond mean-field calculations provide a smaller shell gap at N = 126 than the mean-field one in good agreement with previous theoretical studies. However, the shell gap still remains strong enough in the two-neutron drip lines.

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

Aad, G.; Abbott, B.; Abdallah, J.

Measurements of the ZZ and WW final states in the mass range above the 2m Z and 2m W thresholds provide a unique opportunity to measure the off-shell coupling strength of the Higgs boson. This paper presents constraints on the off-shell Higgs boson event yields normalised to the Standard Model prediction (signal strength) in the ZZ→4ℓ, ZZ→2ℓ2ν and WW→eνμν final states. The result is based on pp collision data collected by the ATLAS experiment at the LHC, corresponding to an integrated luminosity of 20.3 fb -1 at a collision energy of √s=8 TeV. Using the CL s method, the observedmore » 95 %% confidence level (CL) upper limit on the off-shell signal strength is in the range 5.1–8.6, with an expected range of 6.7–11.0. In each case the range is determined by varying the unknown gg→ZZ and gg→WW background K-factor from higher-order quantum chromodynamics corrections between half and twice the value of the known signal K-factor. Assuming the relevant Higgs boson couplings are independent of the energy scale of the Higgs boson production, a combination with the on-shell measurements yields an observed (expected) 95 % CL upper limit on ΓH/Γ SM H in the range 4.5–7.5 (6.5–11.2) using the same variations of the background K-factor. Assuming that the unknown gg→VV background K-factor is equal to the signal K-factor, this translates into an observed (expected) 95 % CL upper limit on the Higgs boson total width of 22.7 (33.0) MeV.« less

Electroweak Corrections to pp→μ^{+}μ^{-}e^{+}e^{-}+X at the LHC: A Higgs Boson Background Study.

PubMed

Biedermann, B; Denner, A; Dittmaier, S; Hofer, L; Jäger, B

2016-04-22

The first complete calculation of the next-to-leading-order electroweak corrections to four-lepton production at the LHC is presented, where all off-shell effects of intermediate Z bosons and photons are taken into account. Focusing on the mixed final state μ^{+}μ^{-}e^{+}e^{-}, we study differential cross sections that are particularly interesting for Higgs boson analyses. The electroweak corrections are divided into photonic and purely weak corrections. The former exhibit patterns familiar from similar W- or Z-boson production processes with very large radiative tails near resonances and kinematical shoulders. The weak corrections are of the generic size of 5% and show interesting variations, in particular, a sign change between the regions of resonant Z-pair production and the Higgs signal.

The Mediterranean Sea Mollusks - a school shell collection

NASA Astrophysics Data System (ADS)

Marcu, Delia

2017-04-01

School: 1. "Ana Aslan" Technical College, Street Decebal 1, Cluj-Napoca, Romania 2. Orthodox Theological Seminary, Avram Iancu Square No.18, Cluj-Napoca, Romania The aim of the present project is to develop the students awareness of human activities impact on mollusks population in the Mediterranean Sea. Students have studied about the Geography of the Mediterranean Sea and they have the theoretical knowledge related to the its specific flora and fauna. One of the main fears related to the Mediterranean Sea is the loss of marine and coastal biodiversity due to biological disturbance, climate change and human activities. Out of all reasons, the human impact is considered to be the major cause of habitat loss, degradation and extinction. Regarding the Phylum Mollusca a major threat is represented by unregulated fisheries and shell traffic. In order to enable the students possibility to observe the great diversity of the Phylum Mollusca in the Mediterranean Sea, a school shell collection was made. The shells were brought by the students and they had to mention if the shells were bought, received as a souvenir or picked from their environment. Further, the students learned how to prepare the shells for the collection. The next step involved the shell classification and by this activity the students learned how to use the IUCN: International Union for Conservation of Nature database to identify the threatened species, as well as the World Register of Marine Species (WoRMS) for a correct identification of the species. As Romania romania bordering the Black Sea, the students had the opportunity to identify the mollusks species common for both the Mediterranean Sea and the Black Sea. The objectives of this study were to highlight the human-environment relation and the interconnection between environment conditions and life quality, to develop the students research, exploration and investigation skills, to be able to identify the causes of species extinction and methods that can be taken, understand what is an endangered species and how can the students contribute to this phenomenon and how to reduce their traffic, as well as acquiring scientific knowledge regarding taxonomy and using scientific databases. This project has a practical, as well as a theoretical purpose and represents a valuable adjacent material as a modern educational system. It is an important tool for the scientific preparation of the students and an opportunity to educate them in the spirit of environmental protection.

77 FR 39508 - Notice of Inventory Completion: Field Museum of Natural History, Chicago, IL; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-03

... the minimum number of individuals removed from Fresno County from six to four. Field Museum staff also...) comprised of one larger piece of shell and its fragments. In the Federal Register (76 FR 80393-80394...

Beta-decay rate and beta-delayed neutron emission probability of improved gross theory

NASA Astrophysics Data System (ADS)

Koura, Hiroyuki

2014-09-01

A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for unmeasured nuclei are adopted from the KTUY nuclear mass formula, which is based on the spherical-basis method. Considering the properties of the integrated Fermi function, we can roughly categorized energy region of excited-state of a daughter nucleus into three regions: a highly-excited energy region, which fully affect a delayed neutron probability, a middle energy region, which is estimated to contribute the decay heat, and a region neighboring the ground-state, which determines the beta-decay rate. Some results will be given in the presentation. A theoretical study has been carried out on beta-decay rate and beta-delayed neutron emission probability. The gross theory of the beta decay is based on an idea of the sum rule of the beta-decay strength function, and has succeeded in describing beta-decay half-lives of nuclei overall nuclear mass region. The gross theory includes not only the allowed transition as the Fermi and the Gamow-Teller, but also the first-forbidden transition. In this work, some improvements are introduced as the nuclear shell correction on nuclear level densities and the nuclear deformation for nuclear strength functions, those effects were not included in the original gross theory. The shell energy and the nuclear deformation for unmeasured nuclei are adopted from the KTUY nuclear mass formula, which is based on the spherical-basis method. Considering the properties of the integrated Fermi function, we can roughly categorized energy region of excited-state of a daughter nucleus into three regions: a highly-excited energy region, which fully affect a delayed neutron probability, a middle energy region, which is estimated to contribute the decay heat, and a region neighboring the ground-state, which determines the beta-decay rate. Some results will be given in the presentation. This work is a result of Comprehensive study of delayed-neutron yields for accurate evaluation of kinetics of high-burn up reactors entrusted to Tokyo Institute of Technology by the Ministry of Education, Culture, Sports, Science and Technology of Japan.

The full-sky relativistic correlation function and power spectrum of galaxy number counts. Part I: theoretical aspects

NASA Astrophysics Data System (ADS)

Tansella, Vittorio; Bonvin, Camille; Durrer, Ruth; Ghosh, Basundhara; Sellentin, Elena

2018-03-01

We derive an exact expression for the correlation function in redshift shells including all the relativistic contributions. This expression, which does not rely on the distant-observer or flat-sky approximation, is valid at all scales and includes both local relativistic corrections and integrated contributions, like gravitational lensing. We present two methods to calculate this correlation function, one which makes use of the angular power spectrum Cl(z1,z2) and a second method which evades the costly calculations of the angular power spectra. The correlation function is then used to define the power spectrum as its Fourier transform. In this work theoretical aspects of this procedure are presented, together with quantitative examples. In particular, we show that gravitational lensing modifies the multipoles of the correlation function and of the power spectrum by a few percent at redshift z=1 and by up to 30% and more at z=2. We also point out that large-scale relativistic effects and wide-angle corrections generate contributions of the same order of magnitude and have consequently to be treated in conjunction. These corrections are particularly important at small redshift, z=0.1, where they can reach 10%. This means in particular that a flat-sky treatment of relativistic effects, using for example the power spectrum, is not consistent.

Simple Approach to Renormalize the Cabibbo-Kobayashi-Maskawa Matrix

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

Kniehl, Bernd A.; Sirlin, Alberto

2006-12-01

We present an on-shell scheme to renormalize the Cabibbo-Kobayashi-Maskawa (CKM) matrix. It is based on a novel procedure to separate the external-leg mixing corrections into gauge-independent self-mass and gauge-dependent wave function renormalization contributions, and to implement the on-shell renormalization of the former with nondiagonal mass counterterm matrices. Diagonalization of the complete mass matrix leads to an explicit CKM counterterm matrix, which automatically satisfies all the following important properties: it is gauge independent, preserves unitarity, and leads to renormalized amplitudes that are nonsingular in the limit in which any two fermions become mass degenerate.

Method to produce large, uniform hollow spherical shells

DOEpatents

Hendricks, C.D.

1983-09-26

The invention is a method to produce large uniform hollow spherical shells by (1) forming uniform size drops of heat decomposable or vaporizable material, (2) evaporating the drops to form dried particles, (3) coating the dried particles with a layer of shell forming material and (4) heating the composite particles to melt the outer layer and to decompose or vaporize the inner particle to form an expanding inner gas bubble. The expanding gas bubble forms the molten outer layer into a shell of relatively large diameter. By cycling the temperature and pressure on the molten shell, nonuniformities in wall thickness can be reduced. The method of the invention is utilized to produce large uniform spherical shells, in the millimeter to centimeter diameter size range, from a variety of materials and of high quality, including sphericity, concentricity and surface smoothness, for use as laser fusion or other inertial confinement fusion targets as well as other applications.

Free and Forced Vibrations of Thick-Walled Anisotropic Cylindrical Shells

NASA Astrophysics Data System (ADS)

Marchuk, A. V.; Gnedash, S. V.; Levkovskii, S. A.

2017-03-01

Two approaches to studying the free and forced axisymmetric vibrations of cylindrical shell are proposed. They are based on the three-dimensional theory of elasticity and division of the original cylindrical shell with concentric cross-sectional circles into several coaxial cylindrical shells. One approach uses linear polynomials to approximate functions defined in plan and across the thickness. The other approach also uses linear polynomials to approximate functions defined in plan, but their variation with thickness is described by the analytical solution of a system of differential equations. Both approaches have approximation and arithmetic errors. When determining the natural frequencies by the semi-analytical finite-element method in combination with the divide and conqure method, it is convenient to find the initial frequencies by the finite-element method. The behavior of the shell during free and forced vibrations is analyzed in the case where the loading area is half the shell thickness

A Small-Scale Comparison of Iceland Scallop Size Distributions Obtained from a Camera Based Autonomous Underwater Vehicle and Dredge Survey

PubMed Central

Singh, Warsha; Örnólfsdóttir, Erla B.; Stefansson, Gunnar

2014-01-01

An approach is developed to estimate size of Iceland scallop shells from AUV photos. A small-scale camera based AUV survey of Iceland scallops was conducted at a defined site off West Iceland. Prior to height estimation of the identified shells, the distortions introduced by the vehicle orientation and the camera lens were corrected. The average AUV pitch and roll was and deg that resulted in error in ground distance rendering these effects negligible. A quadratic polynomial model was identified for lens distortion correction. This model successfully predicted a theoretical grid from a frame photographed underwater, representing the inherent lens distortion. The predicted shell heights were scaled for the distance from the bottom at which the photos were taken. This approach was validated by height estimation of scallops of known sizes. An underestimation of approximately cm was seen, which could be attributed to pixel error, where each pixel represented cm. After correcting for this difference the estimated heights ranged from cm. A comparison of the height-distribution from a small-scale dredge survey carried out in the vicinity showed non-overlapping peaks in size distribution, with scallops of a broader size range visible in the AUV survey. Further investigations are necessary to evaluate any underlying bias and to validate how representative these surveys are of the true population. The low resolution images made identification of smaller scallops difficult. Overall, the observations of very few small scallops in both surveys could be attributed to low recruitment levels in the recent years due to the known scallop parasite outbreak in the region. PMID:25303243

A small-scale comparison of Iceland scallop size distributions obtained from a camera based autonomous underwater vehicle and dredge survey.

PubMed

Singh, Warsha; Örnólfsdóttir, Erla B; Stefansson, Gunnar

2014-01-01

An approach is developed to estimate size of Iceland scallop shells from AUV photos. A small-scale camera based AUV survey of Iceland scallops was conducted at a defined site off West Iceland. Prior to height estimation of the identified shells, the distortions introduced by the vehicle orientation and the camera lens were corrected. The average AUV pitch and roll was 1.3 and 2.3 deg that resulted in <2% error in ground distance rendering these effects negligible. A quadratic polynomial model was identified for lens distortion correction. This model successfully predicted a theoretical grid from a frame photographed underwater, representing the inherent lens distortion. The predicted shell heights were scaled for the distance from the bottom at which the photos were taken. This approach was validated by height estimation of scallops of known sizes. An underestimation of approximately 0.5 cm was seen, which could be attributed to pixel error, where each pixel represented 0.24 x 0.27 cm. After correcting for this difference the estimated heights ranged from 3.8-9.3 cm. A comparison of the height-distribution from a small-scale dredge survey carried out in the vicinity showed non-overlapping peaks in size distribution, with scallops of a broader size range visible in the AUV survey. Further investigations are necessary to evaluate any underlying bias and to validate how representative these surveys are of the true population. The low resolution images made identification of smaller scallops difficult. Overall, the observations of very few small scallops in both surveys could be attributed to low recruitment levels in the recent years due to the known scallop parasite outbreak in the region.

Egg embryo development detection with hyperspectral imaging

NASA Astrophysics Data System (ADS)

Lawrence, Kurt C.; Smith, Douglas P.; Windham, William R.; Heitschmidt, Gerald W.; Park, Bosoon

2006-10-01

In the U. S. egg industry, anywhere from 130 million to over one billion infertile eggs are incubated each year. Some of these infertile eggs explode in the hatching cabinet and can potentially spread molds or bacteria to all the eggs in the cabinet. A method to detect the embryo development of incubated eggs was developed. Twelve brown-shell hatching eggs from two replicates (n=24) were incubated and imaged to identify embryo development. A hyperspectral imaging system was used to collect transmission images from 420 to 840 nm of brown-shell eggs positioned with the air cell vertical and normal to the camera lens. Raw transmission images from about 400 to 900 nm were collected for every egg on days 0, 1, 2, and 3 of incubation. A total of 96 images were collected and eggs were broken out on day 6 to determine fertility. After breakout, all eggs were found to be fertile. Therefore, this paper presents results for egg embryo development, not fertility. The original hyperspectral data and spectral means for each egg were both used to create embryo development models. With the hyperspectral data range reduced to about 500 to 700 nm, a minimum noise fraction transformation was used, along with a Mahalanobis Distance classification model, to predict development. Days 2 and 3 were all correctly classified (100%), while day 0 and day 1 were classified at 95.8% and 91.7%, respectively. Alternatively, the mean spectra from each egg were used to develop a partial least squares regression (PLSR) model. First, a PLSR model was developed with all eggs and all days. The data were multiplicative scatter corrected, spectrally smoothed, and the wavelength range was reduced to 539 - 770 nm. With a one-out cross validation, all eggs for all days were correctly classified (100%). Second, a PLSR model was developed with data from day 0 and day 3, and the model was validated with data from day 1 and 2. For day 1, 22 of 24 eggs were correctly classified (91.7%) and for day 2, all eggs were correctly classified (100%). Although the results are based on relatively small sample sizes, they are encouraging. However, larger sample sizes, from multiple flocks, will be needed to fully validate and verify these models. Additionally, future experiments must also include non-fertile eggs so the fertile / non-fertile effect can be determined.

Minimum stiffness criteria for ring frame stiffeners of space launch vehicles

NASA Astrophysics Data System (ADS)

Friedrich, Linus; Schröder, Kai-Uwe

2016-12-01

Frame stringer-stiffened shell structures show high load carrying capacity in conjunction with low structural mass and are for this reason frequently used as primary structures of aerospace applications. Due to the great number of design variables, deriving suitable stiffening configurations is a demanding task and needs to be realized using efficient analysis methods. The structural design of ring frame stringer-stiffened shells can be subdivided into two steps. One, the design of a shell section between two ring frames. Two, the structural design of the ring frames such that a general instability mode is avoided. For sizing stringer-stiffened shell sections, several methods were recently developed, but existing ring frame sizing methods are mainly based on empirical relations or on smeared models. These methods do not mandatorily lead to reliable designs and in some cases the lightweight design potential of stiffened shell structures can thus not be exploited. In this paper, the explicit physical behaviour of ring frame stiffeners of space launch vehicles at the onset of panel instability is described using mechanical substitute models. Ring frame stiffeners of a stiffened shell structure are sized applying existing methods and the method suggested in this paper. To verify the suggested method and to demonstrate its potential, geometrically non-linear finite element analyses are performed using detailed finite element models.

Model-Based Radiation Dose Correction for Yttrium-90 Microsphere Treatment of Liver Tumors With Central Necrosis

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

Liu, Ching-Sheng; Department of Nuclear Medicine, Taipei Veterans General Hospital, Taipei, Taiwan; Lin, Ko-Han

Purpose: The objectives of this study were to model and calculate the absorbed fraction {phi} of energy emitted from yttrium-90 ({sup 90}Y) microsphere treatment of necrotic liver tumors. Methods and Materials: The tumor necrosis model was proposed for the calculation of {phi} over the spherical shell region. Two approaches, the semianalytic method and the probabilistic method, were adopted. In the former method, the range--energy relationship and the sampling of electron paths were applied to calculate the energy deposition within the target region, using the straight-ahead and continuous-slowing-down approximation (CSDA) method. In the latter method, the Monte Carlo PENELOPE code wasmore » used to verify results from the first method. Results: The fraction of energy, {phi}, absorbed from {sup 90}Y by 1-cm thickness of tumor shell from microsphere distribution by CSDA with complete beta spectrum was 0.832 {+-} 0.001 and 0.833 {+-} 0.001 for smaller (r{sub T} = 5 cm) and larger (r{sub T} = 10 cm) tumors (where r is the radii of the tumor [T] and necrosis [N]). The fraction absorbed depended mainly on the thickness of the tumor necrosis configuration, rather than on tumor necrosis size. The maximal absorbed fraction {phi} that occurred in tumors without central necrosis for each size of tumor was different: 0.950 {+-} 0.000, and 0.975 {+-} 0.000 for smaller (r{sub T} = 5 cm) and larger (r{sub T} = 10 cm) tumors, respectively (p < 0.0001). Conclusions: The tumor necrosis model was developed for dose calculation of {sup 90}Y microsphere treatment of hepatic tumors with central necrosis. With this model, important information is provided regarding the absorbed fraction applicable to clinical {sup 90}Y microsphere treatment.« less

Effects of finite volume on the K L – K S mass difference

DOE PAGES

Christ, N.  H.; Feng, X.; Martinelli, G.; ...

2015-06-24

Phenomena that involve two or more on-shell particles are particularly sensitive to the effects of finite volume and require special treatment when computed using lattice QCD. In this paper we generalize the results of Lüscher and Lellouch and Lüscher, which determine the leading-order effects of finite volume on the two-particle spectrum and two-particle decay amplitudes to determine the finite-volume effects in the second-order mixing of the K⁰ and K⁰⁻ states. We extend the methods of Kim, Sachrajda, and Sharpe to provide a direct, uniform treatment of these three, related, finite-volume corrections. In particular, the leading, finite-volume corrections to the Kmore » L – K S mass difference ΔM K and the CP-violating parameter εK are determined, including the potentially large effects which can arise from the near degeneracy of the kaon mass and the energy of a finite-volume, two-pion state.« less

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

NASA Astrophysics Data System (ADS)

Chang, Tsun-Mei; Dang, Liem X.

2017-10-01

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

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

NASA Astrophysics Data System (ADS)

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

2015-05-01

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

Determination of K-shell absorption jump factors and jump ratios for La2O3, Ce and Gd using two different methods

NASA Astrophysics Data System (ADS)

Akman, Ferdi; Durak, Rıdvan; Kaçal, Mustafa Recep; Turhan, Mehmet Fatih; Akdemir, Fatma

2015-02-01

The K shell absorption jump factors and jump ratios for La2O3, Ce and Gd samples have been determined using the gamma or X-ray attenuation and EDXRF methods. It is the first time that the K shell absorption jump factor and jump ratio have been discussed for present elements using two different methods. To detect K X-rays, a high resolution Si(Li) detector was used. The experimental results of K shell absorption jump factors and jump ratios were compared with the theoretically calculated ones.

Kinematic Methods of Designing Free Form Shells

NASA Astrophysics Data System (ADS)

Korotkiy, V. A.; Khmarova, L. I.

2017-11-01

The geometrical shell model is formed in light of the set requirements expressed through surface parameters. The shell is modelled using the kinematic method according to which the shell is formed as a continuous one-parameter set of curves. The authors offer a kinematic method based on the use of second-order curves with a variable eccentricity as a form-making element. Additional guiding ruled surfaces are used to control the designed surface form. The authors made a software application enabling to plot a second-order curve specified by a random set of five coplanar points and tangents.

Polymeric microspheres

DOEpatents

Walt, David R.; Mandal, Tarun K.; Fleming, Michael S.

2004-04-13

The invention features core-shell microsphere compositions, hollow polymeric microspheres, and methods for making the microspheres. The microspheres are characterized as having a polymeric shell with consistent shell thickness.

Analytical and experimental studies of natural vibrations modes of ring-stiffened truncated-cone shells with variable theoretical ring fixity

NASA Technical Reports Server (NTRS)

Naumann, E. C.; Catherines, D. S.; Walton, W. C., Jr.

1971-01-01

Experimental and analytical investigations of the vibratory behavior of ring-stiffened truncated-cone shells are described. Vibration tests were conducted on 60 deg conical shells having up to four ring stiffeners and for free-free and clamped-free edge constraints and 9 deg conical shells, for two thicknesses, each with two angle rings and for free-free, free-clamped, and clamped-clamped edge constraints. The analytical method is based on linear thin shell theory, employing the Rayleigh-Ritz method. Discrete rings are represented as composed of one or more segments, each of which is a short truncated-cone shell of uniform thickness. Equations of constraint are used to join a ring and shell along a circumferential line connection. Excellent agreement was obtained for comparisons of experimental and calculated frequencies.

Simple on-shell renormalization framework for the Cabibbo-Kobayashi-Maskawa matrix

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

Kniehl, Bernd A.; Sirlin, Alberto

2006-12-01

We present an explicit on-shell framework to renormalize the Cabibbo-Kobayashi-Maskawa (CKM) quark mixing matrix at the one-loop level. It is based on a novel procedure to separate the external-leg mixing corrections into gauge-independent self-mass (sm) and gauge-dependent wave-function renormalization contributions, and to adjust nondiagonal mass counterterm matrices to cancel all the divergent sm contributions, and also their finite parts subject to constraints imposed by the Hermiticity of the mass matrices. It is also shown that the proof of gauge independence and finiteness of the remaining one-loop corrections to W{yields}q{sub i}+q{sub j} reduces to that in the unmixed, single-generation case. Diagonalizationmore » of the complete mass matrices leads then to an explicit expression for the CKM counterterm matrix, which is gauge independent, preserves unitarity, and leads to renormalized amplitudes that are nonsingular in the limit in which any two fermions become mass degenerate.« less

High-performance heterostructured cathodes for lithium-ion batteries with a Ni-rich layered oxide core and a Li-rich layered oxide shell

DOE PAGES

Oh, Pilgun; Oh, Seung -Min; Li, Wangda; ...

2016-05-30

The Ni-rich layered oxides with a Ni content of >0.5 are drawing much attention recently to increase the energy density of lithium-ion batteries. However, the Ni-rich layered oxides suffer from aggressive reaction of the cathode surface with the organic electrolyte at the higher operating voltages, resulting in consequent impedance rise and capacity fade. To overcome this difficulty, we present here a heterostructure composed of a Ni-rich LiNi 0.7Co 0.15Mn 0.15O 2 core and a Li-rich Li 1.2-xNi 0.2Mn 0.6O 2 shell, incorporating the advantageous features of the structural stability of the core and chemical stability of the shell. With amore » unique chemical treatment for the activation of the Li 2MnO 3 phase of the shell, a high capacity is realized with the Li-rich shell material. Aberration-corrected scanning transmission electron microscopy (STEM) provides direct evidence for the formation of surface Li-rich shell layer. Finally, the heterostructure exhibits a high capacity retention of 98% and a discharge- voltage retention of 97% during 100 cycles with a discharge capacity of 190 mA h g -1 (at 2.0–4.5 V under C/3 rate, 1C = 200 mA g -1).« less

Influence of a finite number of baffles on shell-and-tube heat exchanger performance

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

Shah, R.K.; Pignotti, A.

1997-01-01

In single-phase shell-and-tube heat exchangers, thermal performance prediction is customarily accomplished with an idealization that the number of baffles used is very large and can be assumed to approach infinity. Under this idealization, the temperature change within each baffle compartment is very small in comparison with the total temperature change of the shell fluid through the heat exchanger. Thus the shell fluid can be considered as uniform (perfectly mixed) at every cross section (in a direction normal to the shell axis). It is with this model that the mean temperature difference correction factor is normally derived for single-phase exchangers. Inmore » reality, a finite number of baffles are used, and the condition stated above can be achieved only partially. In this article, a comprehensive review is made and new results are derived where needed to assess the influence of a finite number of baffles on heat transfer performance for 1-1, 1-2, and 1-N TEMA E, 1-2 TEMA J, and 1-2 TEMA G and H single-phase shell-and-tube exchangers. It is shown that the number of baffles required to achieve the performance within about 2% of an exchanger with an infinite number of baffles varies with the type of exchanger and the performance parameters. The new results are presented in tabular form.« less

Dispersive approach to two-photon exchange in elastic electron-proton scattering

DOE PAGES

Blunden, P. G.; Melnitchouk, W.

2017-06-14

We examine the two-photon exchange corrections to elastic electron-nucleon scattering within a dispersive approach, including contributions from both nucleon and Δ intermediate states. The dispersive analysis avoids off-shell uncertainties inherent in traditional approaches based on direct evaluation of loop diagrams, and guarantees the correct unitary behavior in the high energy limit. Using empirical information on the electromagnetic nucleon elastic and NΔ transition form factors, we compute the two-photon exchange corrections both algebraically and numerically. Finally, results are compared with recent measurements of e + p to e - p cross section ratios from the CLAS, VEPP-3 and OLYMPUS experiments.

[Determination of Cu in Shell of Preserved Egg by LIBS Coupled with PLS].

PubMed

Hu, Hui-qin; Xu, Xue-hong; Liu, Mu-hua; Tu, Jian-ping; Huang, Le; Huang, Lin; Yao, Ming-yin; Chen, Tian-bing; Yang, Ping

2015-12-01

In this work, the content of copper in the shell of preserved eggs were determined directly by Laser induced breakdown spectroscopy (LIBS), and the characteristics lines of Cu was obtained. The samples of eggshell were pretreated by acid wet digestion, and the real content of Cu was obtained by atomic absorption spectrophotometer (AAS). Due to the test precision and accuracy of LIBS was influenced by a serious of factors, for example, the complex matrix effect of sample, the enviro nment noise, the system noise of the instrument, the stability of laser energy and so on. And the conventional unvariate linear calibration curve between LIBS intensity and content of element of sample, such as by use of Schiebe G-Lomakin equation, can not meet the requirement of quantitative analysis. In account of that, a kind of multivariate calibration method is needed. In this work, the data of LIBS spectra were processed by partial least squares (PLS), the precision and accuracy of PLS model were compared by different smoothing treatment and five pretreatment methods. The result showed that the correlation coefficient and the accuracy of the PLS model were improved, and the root mean square error and the average relative error were reduced effectively by 11 point smoothing with Multiplicative scatter correction (MSC) pretreatment. The results of the study show that, heavy metal Cu in preserved egg shells can be direct detected accurately by laser induced breakdown spectroscopy, and the next step batch tests will been conducted to find out the relationship of heavy metal Cu content in the preserved egg between the eggshell, egg white and egg yolk. And the goal of the contents of heavy metals in the egg white, egg yolk can be knew through determinate the eggshell by the LIBS can be achieved, to provide new method for rapid non-destructive testing technology for quality and satety of agricultural products.

The Dynamic Response and Vibration of Functionally Graded Carbon Nanotube-Reinforced Composite (FG-CNTRC) Truncated Conical Shells Resting on Elastic Foundations

PubMed Central

Nguyen Dinh, Duc; Nguyen, Pham Dinh

2017-01-01

Based on the classical shell theory, the linear dynamic response of functionally graded carbon nanotube-reinforced composite (FG-CNTRC) truncated conical shells resting on elastic foundations subjected to dynamic loads is presented. The truncated conical shells are reinforced by single-walled carbon nanotubes (SWCNTs) that vary according to the linear functions of the shell thickness. The motion equations are solved by the Galerkin method and the fourth-order Runge–Kutta method. In numerical results, the influences of geometrical parameters, elastic foundations, natural frequency parameters, and nanotube volume fraction of FG-CNTRC truncated conical shells are investigated. The proposed results are validated by comparing them with those of other authors. PMID:29057821

Stratigraphy Identification with Emphasis to Shells Layer using 2-D Electrical Resistivity Method at Guar Kepah, Penang

NASA Astrophysics Data System (ADS)

Rosli, Najmiah; Mansor, Hafizuddin; Ismail, N. A.; Masnan, S. S. K.; Saidin, M.

2018-04-01

2-D electrical resistivity method was done at an archaeological site in Guar Kepah, Penang, to determine its stratigraphy with emphasis to shells layer. This study aims to guide the archaeological studies where many prehistoric findings are related to shells and also for engineering purposes as an archaeological gallery is to be built there. Results show that the area is composed of three unconsolidated soil strata where the uppermost layer is sandy-clay, followed by shells layer, and lastly sandy layer. The shells layer is undulating with similar thickness throughout the site, but thickens at the northern part of the study area. The depth of the shells layer however, is different at different parts of the site.

Transition energy and potential energy curves for ionized inner-shell states of CO, O2 and N 2 calculated by several inner-shell multiconfigurational approaches.

PubMed

Moura, Carlos E V de; Oliveira, Ricardo R; Rocha, Alexandre B

2013-05-01

Potential energy curves and inner-shell ionization energies of carbon monoxide, oxygen and nitrogen molecules were calculated using several forms of the inner-shell multiconfigurational self-consistent field (IS-MCSCF) method-a recently proposed protocol to obtain specifically converged inner-shell states at this level. The particular forms of the IS-MCSCF method designated IS-GVB-PP, IS-FVBL and IS-CASSCF stand for perfect pairing generalized valence bond, full valence bond-like MCSCF and complete active space self consistent field, respectively. A comparison of these different versions of the IS-MCSCF method was carried out for the first time. The results indicate that inner-shell states are described accurately even for the simplest version of the method (IS-GVB-PP). Dynamic correlation was recovered by multireference configuration interaction or multireference perturbation theory. For molecules not having equivalent atoms, all methods led to comparable and accurate transition energies. For molecules with equivalent atoms, the most accurate results were obtained by multireference perturbation theory. Scalar relativistic effects were accounted for using the Douglas-Kroll-Hess Hamiltonian.

Analysis of transient, linear wave propagation in shells by the finite difference method

NASA Technical Reports Server (NTRS)

Geers, T. L.; Sobel, L. H.

1971-01-01

The applicability of the finite difference method to propagation problems in shells, and the response of a cylindrical shell with cutouts to both longitudinal and radial transient excitations are investigated. It is found that the only inherent limitation of the finite difference method is its inability to reproduce accurately response discontinuities. The short wave length limitations of thin shell theory create significant convergence difficulties may often be overcome through proper selection of finite difference mesh dimensions and temporal or spatial smoothing of the excitation. Cutouts produce moderate changes in early and intermediate time response of a cylindrical shell to axisymmetric pulse loads applied at one end. The cutouts may facilitate the undesirable late-time transfer of load-injected extensional energy into nonaxisymmetric flexural response.

Using Micro CT Scanning to Assess Pteropod Shells in the Modern Ocean

NASA Astrophysics Data System (ADS)

Oakes, R. L.; Urbanski, J. M.; Bralower, T. J.

2016-02-01

Anthropogenic activities are causing fundamental changes to ocean chemistry. Calcareous plankton and nekton are predicted to be affected by these chemical changes, especially by ocean acidification. These groups are at the base of the marine food chain and therefore their demise will have a strong effect on the marine ecosystem as a whole. One challenge moving forward is to find a method to assess how chemical changes manifest themselves in plankton and nekton shells. Recent advancements in computed tomographic (CT) scanning technology allows for organisms to be imaged in three dimensions at micrometer resolution. CT data enables quantitative measurements of properties such as shell thickness, volume, and morphology. We apply this method to look at pteropods, nektonic molluscs which make their shells from the more soluble form of calcium carbonate, aragonite. Their shell mineralogy, and the fact that some groups live in polar and upwelling waters, place them at high risk for ocean acidification. We have scanned over 70 pteropods from 5 different locations globally. Analysis shows that there is a significant difference in pteropod shell thickness in different ocean basins with the thinnest shells being found off the coast of Washington. Changes in shell thickness may affect pteropod swimming efficiency, predation, and rate of sinking. Shell volume does not seem to vary with shell thickness suggesting that changes will impact pteropods at all ontogenetic stages. We are working towards a geometric morphometric analysis of these shells to see if the shape differs in areas with different ocean conditions. This initial set of CT scans of pteropods can be used as a baseline to which future changes can be compared. Furthermore, this technique has the potential to be easily transferred to other organisms as a method of assessing shell change in response to ocean acidification and associated factors.

Testing the best method to prepare recent and fossil brachiopod shells for SEM analysis

NASA Astrophysics Data System (ADS)

Crippa, Gaia; Ye, Facheng

2017-04-01

The analysis of shell microstructures by Scanning Electron Microscope (SEM) is a method easily available to most palaeontologists and geochemists. This kind of analysis is a fundamental step in the study of the mineralised parts of marine and terrestrial organisms, and it provides invaluable information in different fields of palaeontology, from the comprehension of evolutionary taxonomy and biomineralisation processes to the screening of shell diagenetic alteration. In precipitating their low-magnesium calcite shells in isotopic equilibrium with ambient seawater, brachiopods are excellent archives of past seawater temperature and ocean chemistry. However, diagenetic processes may alter the original fabric and the original geochemical composition of the shells; the SEM analysis of the microstructure represents one of the most common method used to test fossil shell preservation and eventually exclude diagenetic alteration. Notwithstanding the importance of this analysis, only few and scattered data have been published about the preparation and cleaning of brachiopod shells for SEM analyses Here, we describe several tests performed on recent and fossil brachiopod shells, experimenting new and old methodologies in order to identify a general protocol to better highlight and analyze the shell fabric. Recent taxa include Liothyrella uva and Liothyrella neozelanica, respectively collected from Antarctica and New Zealand; fossil shells are those of Terebratula scillae collected from the lower Pleistocene Stirone River sedimentary succession in Northern Italy. We carried out several tests to check the response of the shell fabric to the resin used to embed the valves before cutting and to different times of exposure to hydrochloric acid; furthermore, as the presence of the organic matrix in recent shells represents the main obstacle to obtaining high quality SEM images, we used bleach and hydrogen peroxide with different concentrations and times of exposure to remove it. We conclude that bleach and hydrogen peroxide at the highest time of exposure followed by hydrochloric acid for 3 seconds is the best method to use when preparing recent brachiopods, whereas fossil shells should undergo higher exposure time to hydrochloric acid (15 seconds).

Buckling and Damage Resistance of Transversely-Loaded Composite Shells

NASA Technical Reports Server (NTRS)

Wardle, Brian L.

1998-01-01

Experimental and numerical work was conducted to better understand composite shell response to transverse loadings which simulate damage-causing impact events. The quasi-static, centered, transverse loading response of laminated graphite/epoxy shells in a [+/-45(sub n)/O(sub n)](sub s) layup having geometric characteristics of a commercial fuselage are studied. The singly-curved composite shell structures are hinged along the straight circumferential edges and are either free or simply supported along the curved axial edges. Key components of the shell response are response instabilities due to limit-point and/or bifurcation buckling. Experimentally, deflection-controlled shell response is characterized via load-deflection data, deformation-shape evolutions, and the resulting damage state. Finite element models are used to study the kinematically nonlinear shell response, including bifurcation, limit-points, and postbuckling. A novel technique is developed for evaluating bifurcation from nonlinear prebuckling states utilizing asymmetric spatial discretization to introduce numerical perturbations. Advantages of the asymmetric meshing technique (AMT) over traditional techniques include efficiency, robustness, ease of application, and solution of the actual (not modified) problems. The AMT is validated by comparison to traditional numerical analysis of a benchmark problem and verified by comparison to experimental data. Applying the technique, bifurcation in a benchmark shell-buckling problem is correctly identified. Excellent agreement between the numerical and experimental results are obtained for a number of composite shells although predictive capability decreases for stiffer (thicker) specimens which is attributed to compliance of the test fixture. Restraining the axial edge (simple support) has the effect of creating a more complex response which involves unstable bifurcation, limit-point buckling, and dynamic collapse. Such shells were noted to bifurcate into asymmetric deformation modes but were undamaged during testing. Shells in this study which were damaged were not observed to bifurcate. Thus, a direct link between bifurcation and atypical damage could not be established although the mechanism (bifurcation) was identified. Recommendations for further work in these related areas are provided and include extensions of the AMT to other shell geometries and structural problems.

Vibrations of cantilevered circular cylindrical shells Shallow versus deep shell theory

NASA Technical Reports Server (NTRS)

Lee, J. K.; Leissa, A. W.; Wang, A. J.

1983-01-01

Free vibrations of cantilevered circular cylindrical shells having rectangular planforms are studied in this paper by means of the Ritz method. The deep shell theory of Novozhilov and Goldenveizer is used and compared with the usual shallow shell theory for a wide range of shell parameters. A thorough convergence study is presented along with comparisons to previously published finite element solutions and experimental results. Accurately computed frequency parameters and mode shapes for various shell configurations are presented. The present paper appears to be the first comprehensive study presenting rigorous comparisons between the two shell theories in dealing with free vibrations of cantilevered cylindrical shells.

Ballistic Simulation Method for Lithium Ion Batteries (BASIMLIB) Using Thick Shell Composites (TSC) in LS-DYNA

DTIC Science & Technology

2016-08-04

BAllistic SImulation Method for Lithium Ion Batteries (BASIMLIB) using Thick Shell Composites (TSC) in LS-DYNA Venkatesh Babu, Dr. Matt Castanier, Dr...Objective • Objective and focus of this work is to develop a – Robust simulation methodology to model lithium - ion based batteries in its module and full...unlimited  Lithium Ion Phosphate (LiFePO4) battery cell, module and pack was modeled in LS-DYNA using both Thin Shell Layer (TSL) and Thick Shell

A versatile cooperative template-directed coating method to construct uniform microporous carbon shells for multifunctional core-shell nanocomposites.

PubMed

Guan, Buyuan; Wang, Xue; Xiao, Yu; Liu, Yunling; Huo, Qisheng

2013-03-21

A very simple cooperative template-directed coating method is developed for the preparation of core-shell, hollow, and yolk-shell microporous carbon nanocomposites. Particularly, the cationic surfactant C16TMA(+)·Br(-) used in the coating procedure improves the core dispersion in the reaction media and serves as the soft template for mesostructured resorcinol-formaldehyde resin formation, which results in the uniform polymer and microporous carbon shell coating on most functional cores with different surface properties. The core diameter and the shell thickness of the nanocomposites can be precisely tailored. This approach is highly reproducible and scalable. Several grams of polymer and carbon nanocomposites can be easily prepared by a facile one-pot reaction. The Au@hydrophobic microporous carbon yolk-shell catalyst favors the reduction of more hydrophobic nitrobenzene than hydrophilic 4-nitrophenol by sodium borohydride, which makes this type of catalyst@carbon yolk-shell composites promising nanomaterials as selective catalysts for hydrophobic reactants.

Spline Approximation of Thin Shell Dynamics

NASA Technical Reports Server (NTRS)

delRosario, R. C. H.; Smith, R. C.

1996-01-01

A spline-based method for approximating thin shell dynamics is presented here. While the method is developed in the context of the Donnell-Mushtari thin shell equations, it can be easily extended to the Byrne-Flugge-Lur'ye equations or other models for shells of revolution as warranted by applications. The primary requirements for the method include accuracy, flexibility and efficiency in smart material applications. To accomplish this, the method was designed to be flexible with regard to boundary conditions, material nonhomogeneities due to sensors and actuators, and inputs from smart material actuators such as piezoceramic patches. The accuracy of the method was also of primary concern, both to guarantee full resolution of structural dynamics and to facilitate the development of PDE-based controllers which ultimately require real-time implementation. Several numerical examples provide initial evidence demonstrating the efficacy of the method.

Fractal dimension study of polaron effects in cylindrical GaAs/Al x Ga1- x As core-shell nanowires

NASA Astrophysics Data System (ADS)

Sun, Hui; Li, Hua; Tian, Qiang

2018-04-01

Polaron effects in cylindrical GaAs/Al x Ga1- x As core-shell nanowires are studied by applying the fractal dimension method. In this paper, the polaron properties of GaAs/Al x Ga1- x As core-shell nanowires with different core radii and aluminum concentrations are discussed. The polaron binding energy, polaron mass shift, and fractal dimension parameter are numerically determined as functions of shell width. The calculation results reveal that the binding energy and mass shift of the polaron first increase and then decrease as the shell width increases. A maximum value appears at a certain shell width for different aluminum concentrations and a given core radius. By using the fractal dimension method, polaron problems in cylindrical GaAs/Al x Ga1- x As core-shell nanowires are solved in a simple manner that avoids complex and lengthy calculations.

Three-Dimensional Solution of the Free Vibration Problem for Metal-Ceramic Shells Using the Method of Sampling Surfaces

NASA Astrophysics Data System (ADS)

Kulikov, G. M.; Plotnikova, S. V.

2017-03-01

The possibility of using the method of sampling surfaces (SaS) for solving the free vibration problem of threedimensional elasticity for metal-ceramic shells is studied. According to this method, in the shell body, an arbitrary number of SaS parallel to its middle surface are selected in order to take displacements of these surfaces as unknowns. The SaS pass through the nodes of a Chebyshev polynomial, which improves the convergence of the SaS method significantly. As a result, the SaS method can be used to obtain analytical solutions of the vibration problem for metal-ceramic plates and cylindrical shells that asymptotically approach the exact solutions of elasticity as the number of SaS tends to infinity.

Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study.

PubMed

Flores, Efracio Mamani; Gouvea, Rogério Almeida; Piotrowski, Maurício Jeomar; Moreira, Mário Lucio

2018-02-14

The engineering of semiconductor materials for the development of solar cells is of great importance today. Two topics are considered to be of critical importance for the efficiency of Grätzel-type solar cells, the efficiency of charge separation and the efficiency of charge carrier transfer. Thus, one research focus is the combination of semiconductor materials with the aim of reducing charge recombination, which occurs by spatial charge separation. From an experimental point of view, the combining of materials can be achieved by decorating a core with a shell of another material resulting in a core-shell system, which allows control of the desired photoelectronic properties. In this context, a computational simulation is mandatory for the atomistic understanding of possible semiconductor combinations and for the prediction of their properties. Considering the construction of ZnO/ZnX (X = S, Se or Te) interfaces, we seek to investigate the electronic influence of the shell (ZnX) on the core (ZnO) and, consequently, find out which of the interfaces would present the appropriate properties for (Grätzel-type) solar cell applications. To perform this study, we have employed density functional theory (DFT) calculations, considering the Perdew-Burke-Ernzerhof (PBE) functional. However, it is well-known that plain DFT fails to describe strong electronic correlated materials where, in general, an underestimation of the band gap is obtained. Thus, to obtain the correct description of the electronic properties, a Hubbard correction was employed, i.e. PBE+U calculations. The PBE+U methodology provided the correct electronic structure properties for bulk ZnO in good agreement with experimental values (99.4%). The ZnO/ZnX interfaces were built and were composed of six ZnO layers and two ZnX layers, which represents the decoration process. The core-shell band gap was 2.2 eV for ZnO/ZnS, ∼1.71 eV for ZnO/ZnSe and ∼0.95 eV for ZnO/ZnTe, which also exhibited a type-II band alignment. Bader charge analysis showed an accumulation of charges in the 6th layer of ZnO for the three ZnO/ZnX interfaces. On the basis of these results, we have proposed that ZnO/ZnS and ZnO/ZnSe core-shell structures can be applied as good candidates (with better efficiency) for photovoltaic devices.

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

Kozioziemski, B.

A foam shell, 1.2 mm outer diameter with a 35 μm thick foam layer, is used to quickly form a solid deuterium layer for ICF. Figures show the visible light microscope image and a corresponding schematic representation. In each case, images show the empty foam shell, with the dark and light patches due to the foam imperfections; the foam shell with liquid deuterium filling the foam (in this case, the liquid level exceeds the foam level because the deuterium will shrink when it freezes); and an image of the shell taken 10 minutes after the center image, after the temperaturemore » was reduced by 2 K to freeze the deuterium. This image shows that the majority of the solid deuterium has no observable defects, with the exception of the isolated crystal that formed on the foam surface. The next step is to get the correct level of liquid and cooling rate to prevent the extra crystal on the surface. In contrast, typical ICF DT fuel layers require ~13 hours to solidify in order to be defect free with a success rate of approximately 20%.« less

Sound-structure interaction analysis of an infinite-long cylindrical shell submerged in a quarter water domain and subject to a line-distributed harmonic excitation

NASA Astrophysics Data System (ADS)

Guo, Wenjie; Li, Tianyun; Zhu, Xiang; Miao, Yuyue

2018-05-01

The sound-structure coupling problem of a cylindrical shell submerged in a quarter water domain is studied. A semi-analytical method based on the double wave reflection method and the Graf's addition theorem is proposed to solve the vibration and acoustic radiation of an infinite cylindrical shell excited by an axially uniform harmonic line force, in which the acoustic boundary conditions consist of a free surface and a vertical rigid surface. The influences of the complex acoustic boundary conditions on the vibration and acoustic radiation of the cylindrical shell are discussed. It is found that the complex acoustic boundary has crucial influence on the vibration of the cylindrical shell when the cylindrical shell approaches the boundary, and the influence tends to vanish when the distances between the cylindrical shell and the boundaries exceed certain values. However, the influence of the complex acoustic boundary on the far-field sound pressure of the cylindrical shell cannot be ignored. The far-field acoustic directivity of the cylindrical shell varies with the distances between the cylindrical shell and the boundaries, besides the driving frequency. The work provides more understanding on the vibration and acoustic radiation behaviors of cylindrical shells with complex acoustic boundary conditions.

Application of a stepwise method for analyzing fouling in shell-and-tube exchangers

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

Prieto, M.M.; Miranda, J.; Sigales, B.

1999-12-01

This article presents the results of the application of a quite simple method for analyzing shell-side fouling in shell-and-tube exchangers, capable of taking into account the formation or irregular fouling deposits with variable thermal conductivity. This method, based on the utilization of elementary heat exchangers, has been implemented for E-shell TEMA-type heat exchangers with two tube passes. Several fouling deposit distributions have been simulated so as to ascertain their effects on the heat transfer rate. These distributions consider that fouling is concentrated in zones where the temperature of the fluids is maximum or minimum.

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 .

Galactic wind shells and high redshift radio galaxies. On the nature of associated absorbers

NASA Astrophysics Data System (ADS)

Krause, M.

2005-06-01

A jet is simulated on the background of a galactic wind headed by a radiative bow shock. The wind shell, which is due to the radiative bow shock, is effectively destroyed by the impact of the jet cocoon, thanks to Rayleigh-Taylor instabilities. Associated strong HI absorption, and possibly also molecular emission, in high redshift radio galaxies which is observed preferentially in the smaller ones may be explained by that model, which is an improvement of an earlier radiative bow shock model. The model requires temperatures of ≈106 K in the proto-clusters hosting these objects, and may be tested by high resolution spectroscopy of the Lyα line. The simulations show that - before destruction - the jet cocoon fills the wind shell entirely for a considerable time with intact absorption system. Therefore, radio imaging of sources smaller than the critical size should reveal the round central bubbles, if the model is correct.

Connections between the dynamical symmetries in the microscopic shell model

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

Georgieva, A. I., E-mail: anageorg@issp.bas.bg; Drumev, K. P.

2016-03-25

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

Thin-shell wormholes in rainbow gravity

NASA Astrophysics Data System (ADS)

Amirabi, Z.; Halilsoy, M.; Mazharimousavi, S. Habib

2018-03-01

At the Planck scale of length ˜10‑35 m where the energy is comparable with the Planck energy, the quantum gravity corrections to the classical background spacetime results in gravity’s rainbow or rainbow gravity. In this modified theory of gravity, geometry depends on the energy of the test particle used to probe the spacetime, such that in the low energy limit, it yields the standard general relativity. In this work, we study the thin-shell wormholes in the spherically symmetric rainbow gravity. We find the corresponding properties in terms of the rainbow functions which are essential in the rainbow gravity and the stability of such thin-shell wormholes are investigated. Particularly, it will be shown that there are exact solutions in which high energy particles crossing the throat will encounter less amount of total exotic matter. This may be used as an advantage over general relativity to reduce the amount of exotic matter.

Experimental Guidance of ISB Corrections via Direct Nuclear Reactions

NASA Astrophysics Data System (ADS)

Leach, K. G.; Garrett, P. E.; Ball, G. C.; Bangay, J. C.; Bianco, L.; Demand, G. A.; Faestermann, T.; Finlay, P.; Green, K. L.; Hertenberger, R.; Kriicken, R.; Phillips, A. A.; Rand, E. T.; Sumithrarachchi, C. S.; Svensson, C. E.; Towner, I. S.; Triambak, S.; Wirth, H.-F.; Wong, J.

2011-09-01

The most recent isospin-symmetry-breaking corrections, δc, of Towner and Hardy for superallowed Fermi β-decay transitions, have included the opening of specific core orbitals. This change has resulted in significant deviations in some of the δc factors from their previous calculations, and an improved agreement of the individual corrected Script Ft values with the overall world average of the 13 most precise cases. While this is consistent with the conserved-vector-current (CVC) hypothesis of the Standard Model, these new calculations must be thoroughly tested, and guidance must be given for the improvement of calculations for the upper-pf shell nuclei. Using the (d,t) reaction mechanism to probe the single neutron wavefunction overlap, information regarding the relevant shell-model configurations needed in the calculation can be determined. An experiment was therefore performed with a 22 MeV polarized deuterium beam from the MP tandem Van de Graaff accelerator in Munich, Germany. Using the Q3D magnetic spectrograph, and a cathode-strip focal-plane detector, outgoing tritons were analyzed at 9 angles between 10° and 60°, up to an excitation energy of 4.8 MeV. This proceeding reports the motivational and experimental details for the 64Zn(d,t)63Zn transfer work presented.

Gastropod shell size and architecture influence the applicability of methods used to estimate internal volume.

PubMed

Ragagnin, Marilia Nagata; Gorman, Daniel; McCarthy, Ian Donald; Sant'Anna, Bruno Sampaio; de Castro, Cláudio Campi; Turra, Alexander

2018-01-11

Obtaining accurate and reproducible estimates of internal shell volume is a vital requirement for studies into the ecology of a range of shell-occupying organisms, including hermit crabs. Shell internal volume is usually estimated by filling the shell cavity with water or sand, however, there has been no systematic assessment of the reliability of these methods and moreover no comparison with modern alternatives, e.g., computed tomography (CT). This study undertakes the first assessment of the measurement reproducibility of three contrasting approaches across a spectrum of shell architectures and sizes. While our results suggested a certain level of variability inherent for all methods, we conclude that a single measure using sand/water is likely to be sufficient for the majority of studies. However, care must be taken as precision may decline with increasing shell size and structural complexity. CT provided less variation between repeat measures but volume estimates were consistently lower compared to sand/water and will need methodological improvements before it can be used as an alternative. CT indicated volume may be also underestimated using sand/water due to the presence of air spaces visible in filled shells scanned by CT. Lastly, we encourage authors to clearly describe how volume estimates were obtained.

The application of aberration-corrected electron microscopy to the characterization of gold-based catalysts

NASA Astrophysics Data System (ADS)

Herzing, Andrew A.

Electron microscopy has long been used to study the morphology of heterogeneous catalysts. Recent advances in electron optics now allow for the correction of the inherent spherical aberration (Cs) produced by the objective lens in the scanning transmission electron microscope (STEM, resulting in a significantly improved spatial resolution as well as the ability to use a much larger probe-current than was previously possible. In this thesis, the combination of high-angle annular dark-field (HAADF) imaging and microanalysis by x-ray energy dispersive spectroscopy (XEDS) in an aberration-corrected STEM has been applied for the first time to the characterization of gold-based heterogeneous catalysts. Multi-variate statistical analysis (MSA) has been employed in order to further improve the STEM-XEDS spectrum image data acquired with this technique. In addition, supplemental analysis using electron-energy loss spectroscopy (EELS) and energy-filtered transmission electron microscopy (EFTEM) in an aberration-corrected instrument has also been attempted. These techniques have proven extremely valuable in providing complimentary information to more traditional catalyst characterization techniques such as x-ray photoelectron spectroscopy and x-ray diffraction in four specific problems relating to catalysis. Firstly, the atomic-scale resolution of Cs-corrected HAADF imaging has been utilized to study Au/FeOx catalysts in order to determine the size and structure of the Au clusters present on the support surface. It was discovered that, while both inactive and active catalysts for low-temperature CO oxidation contained large Au particles (> 5 nm) and individual Au atoms, the active catalyst also contained sub-nm clusters comprised of only a few Au atoms. Secondly, novel CeO2 support materials for Au and Au-Pd catalysts were synthesized by precipitation with supercritical CO2. These supports were found to produce significantly more active catalysts than those based on CeO2 prepared using more traditional methods. The combination of STEM-HAADF imaging and XEDS mapping has been used to characterize these catalysts and a strong correlation between the catalytic activity and the enhanced degree of metal dispersion over the support is demonstrated. Thirdly, a systematic series of Au-Pd/Al2O3 catalysts has been studied in order to characterize the effects of various heat treatments on the development of core-shell morphologies within the bi-metallic particles and its subsequent effect on their catalytic performance for H2O 2 synthesis. STEM-XEDS spectrum imaging was employed in order to determine the degree of alloying and segregation behavior within the individual Au-Pd particles as a function of calcination/reduction temperature. It was found that the as prepared catalyst contained homogeneous Au-Pd alloy particles and that a Pd-rich shell/Au-rich core morphology gradually developed upon calcination. Subsequent reduction of the catalyst caused a large fraction of the particles to invert and form Pd-rich core/Au-rich shell structures. These changes are related to both the activity and stability of the catalyst. Finally, the washing of activated carbon support materials in acid was found to be extremely beneficial for producing Au-Pd catalysts for the direct synthesis of H2O2. STEM-HAADF imaging revealed that the acid-washing treatment increased the dispersion of the metal on the carbon supports. Aberration-corrected STEM-XEDS spectrum imaging demonstrated a strong size dependence of the Au-Pd particle composition. Crucially, the acid-washing pre-treatment enhanced the alloying of Au and Pd by suppressing the formation of large (> 25 nm) Au-rich particles. In summary, the application of aberration-corrected HAADF imaging and STEM-XEDS spectrum imaging to the characterization of Au-based catalysts has enhanced the understanding of the structural and chemical features that determine their catalytic behavior. Specifically, they have allowed us to achieve the following: (a) image individual metal atoms and clusters of just a few atoms dispersed in a real, high surface area catalyst, (b) detect and follow the development of core-shell structures in Au-Pd bi-metallic catalysts, (c) determine composition/size correlations in Au-Pd catalysts, (d) detect minor alloying elements in bi-metallic catalysts, (e) and chemically map atomic or near atomic dispersions of metals on oxide supports.

Impulse response method for characterization of echogenic liposomes.

PubMed

Raymond, Jason L; Luan, Ying; van Rooij, Tom; Kooiman, Klazina; Huang, Shao-Ling; McPherson, David D; Versluis, Michel; de Jong, Nico; Holland, Christy K

2015-04-01

An optical characterization method is presented based on the use of the impulse response to characterize the damping imparted by the shell of an air-filled ultrasound contrast agent (UCA). The interfacial shell viscosity was estimated based on the unforced decaying response of individual echogenic liposomes (ELIP) exposed to a broadband acoustic impulse excitation. Radius versus time response was measured optically based on recordings acquired using an ultra-high-speed camera. The method provided an efficient approach that enabled statistical measurements on 106 individual ELIP. A decrease in shell viscosity, from 2.1 × 10(-8) to 2.5 × 10(-9) kg/s, was observed with increasing dilatation rate, from 0.5 × 10(6) to 1 × 10(7) s(-1). This nonlinear behavior has been reported in other studies of lipid-shelled UCAs and is consistent with rheological shear-thinning. The measured shell viscosity for the ELIP formulation used in this study [κs = (2.1 ± 1.0) × 10(-8) kg/s] was in quantitative agreement with previously reported values on a population of ELIP and is consistent with other lipid-shelled UCAs. The acoustic response of ELIP therefore is similar to other lipid-shelled UCAs despite loading with air instead of perfluorocarbon gas. The methods described here can provide an accurate estimate of the shell viscosity and damping for individual UCA microbubbles.

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

Oh, Pilgun; Oh, Seung -Min; Li, Wangda

The Ni-rich layered oxides with a Ni content of >0.5 are drawing much attention recently to increase the energy density of lithium-ion batteries. However, the Ni-rich layered oxides suffer from aggressive reaction of the cathode surface with the organic electrolyte at the higher operating voltages, resulting in consequent impedance rise and capacity fade. To overcome this difficulty, we present here a heterostructure composed of a Ni-rich LiNi 0.7Co 0.15Mn 0.15O 2 core and a Li-rich Li 1.2-xNi 0.2Mn 0.6O 2 shell, incorporating the advantageous features of the structural stability of the core and chemical stability of the shell. With amore » unique chemical treatment for the activation of the Li 2MnO 3 phase of the shell, a high capacity is realized with the Li-rich shell material. Aberration-corrected scanning transmission electron microscopy (STEM) provides direct evidence for the formation of surface Li-rich shell layer. Finally, the heterostructure exhibits a high capacity retention of 98% and a discharge- voltage retention of 97% during 100 cycles with a discharge capacity of 190 mA h g -1 (at 2.0–4.5 V under C/3 rate, 1C = 200 mA g -1).« less

The diamagnetic susceptibility of a donor in a semiconductor core shell quantum dot

NASA Astrophysics Data System (ADS)

Sudharshan, M. S.; Subhash, P.; Shaik, Nagoor Babu; Kalpana, P.; Jayakumar, K.; Reuben, A. Merwyn Jasper D.

2015-06-01

The effect of Aluminium concentration, shell thickness and size of the core shell Quantum Dot on the Diamagnetic Susceptibility of a donor in the Core Shell Quantum Dot is calculated in the effective mass approximation using the variational method. The results are presented and discussed.

Exact solutions to the fermion propagator Schwinger-Dyson equation in Minkowski space with on-shell renormalization for quenched QED

DOE PAGES

Jia, Shaoyang; Pennington, M. R.

2017-08-01

With the introduction of a spectral representation, the Schwinger-Dyson equation (SDE) for the fermion propagator is formulated in Minkowski space in QED. After imposing the on-shell renormalization conditions, analytic solutions for the fermion propagator spectral functions are obtained in four dimensions with a renormalizable version of the Gauge Technique anzatz for the fermion-photon vertex in the quenched approximation in the Landau gauge. Despite the limitations of this model, having an explicit solution provides a guiding example of the fermion propagator with the correct analytic structure. The Padé approximation for the spectral functions is also investigated.

Coulomb matrix elements in multi-orbital Hubbard models.

PubMed

Bünemann, Jörg; Gebhard, Florian

2017-04-26

Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a d-shell and an f-shell and all point groups with up to 16 elements (O h , O, T d , T h , D 6h , and D 4h ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.

Exact solutions to the fermion propagator Schwinger-Dyson equation in Minkowski space with on-shell renormalization for quenched QED

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

Jia, Shaoyang; Pennington, M. R.

With the introduction of a spectral representation, the Schwinger-Dyson equation (SDE) for the fermion propagator is formulated in Minkowski space in QED. After imposing the on-shell renormalization conditions, analytic solutions for the fermion propagator spectral functions are obtained in four dimensions with a renormalizable version of the Gauge Technique anzatz for the fermion-photon vertex in the quenched approximation in the Landau gauge. Despite the limitations of this model, having an explicit solution provides a guiding example of the fermion propagator with the correct analytic structure. The Padé approximation for the spectral functions is also investigated.

The Integration Process of Very Thin Mirror Shells with a Particular Regard to Simbol-X

NASA Astrophysics Data System (ADS)

Basso, S.; Pareschi, G.; Tagliaferri, G.; Mazzoleni, F.; Valtolina, R.; Citterio, O.; Conconi, P.

2009-05-01

The optics of Simbol-X are very thin compared to previous X-ray missions (like XMM). Therefore their shells floppy and are unable to maintain the correct shape. To avoid the deformations of their very thin X-ray optics during the integration process we adopt two stiffening rings with a good roundness. In this article the procedure used for the first three prototypes of the Simbol-X optics is presented with a description of the problems involved and with an analysis of the degradation of the performances during the integration. This analysis has been performed with the UV vertical bench measurements at INAF-OAB.

Holographic shell model: Stack data structure inside black holes?

NASA Astrophysics Data System (ADS)

Davidson, Aharon

2014-03-01

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

High frequency material issues in scattering of sound by objects in water

NASA Astrophysics Data System (ADS)

Dudley, Christopher

Ray theoretic models were shown to predict scattering enhancements from laboratory scale cylindrical targets in water. Synthetic aperture sonar and acoustical holographic images were constructed from bistatic scattering. Targets of increasing complexity from material properties were investigated. Models range from simple ray optic style to corrections for transversely isotropic materials. To correctly model the complexity of anisotropic material such as fiberglass, the five independent elastic constants and the density were measured. In all of the cylindrical shells and solid targets, enhancements are observable for ka values ranging from 9 to 40 where k is the wavenumber and a is the cylinder radius. The simpler targets consist of a low sound speed fluid within a thin plastic or fiberglass shell (11 < ka < 40). Shells were taken to be sufficiently thin so that the shell dynamics could be neglected in the models. The fluid has a density near that of water with a sound speed less than water. It is straightforward to construct the location and length of bright features for the fluid filled shells. Solid finite cylinders of polystyrene (9 < ka < 23) and fiberglass (ka = 17 and 22) were found to have more structure in echoes than the fluid filled shells. Bright image features existed from longitudinal as well as shear wave propagation within the polystyrene. A model including shear and longitudinal wave components showed good agrement with experiments with respect to timing and length of features for RexoliteRTM. Fiberglass is the most complex due to the anisotropic symmetry of the material. The slowness matrix allowed for modeling of timing aspects of the solid fiberglass cylinder. For a flat polystyrene half-space there is predicted to be a prominent enhancement of the acoustic reflection for an angle of incidence near 40°. Measurements showed the existence of a related peak in the reflection from solid Rexolite cylinders with ka near 9. Related peaks in the reflection from coated cylinders were observed. The properties of sound transmitted by a stainless steel plate in water was investigated. The relevant S2b leaky Lamb waves have been previously demonstrated on spherical shells [Kaduchak et al., J. Acoust. Soc. Am. 96, 3704 (1994)]. Directional properties of guided waves excited on a stainless steel plate in water were observed. Guided waves could be excited on the plate having group and phase velocities oppositely directed and such waves could profoundly influence the transmission of sound.

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.

Apparatus and methods for installing, removing and adjusting an inner turbine shell section relative to an outer turbine shell section

DOEpatents

Leach, David; Bergendahl, Peter Allen; Waldo, Stuart Forrest; Smith, Robert Leroy; Phelps, Robert Kim

2001-01-01

A turbine includes upper and lower inner shell sections mounting the nozzles and shrouds and which inner shell is supported by pins secured to a surrounding outer shell. To disassemble the turbine for access to the inner shell sections and rotor, an alignment fixture is secured to the lower outer shell section and has pins engaging the inner shell section. To disassemble the turbine, the inner shell weight is transferred to the lower outer shell section via the alignment fixture and cradle pins. Roller assemblies are inserted through access openings vacated by support pins to permit rotation of the lower inner shell section out of and into the lower outer shell section during disassembly and assembly. The alignment fixture includes adjusting rods for adjusting the inner shell axially, vertically, laterally and about a lateral axis. A roller over-cage is provided to rotate the inner shell and a dummy shell to facilitate assembly and disassembly in the field.

The magnetic lead field theorem in the quasi-static approximation and its use for magnetoencephalography forward calculation in realistic volume conductors.

PubMed

Nolte, Guido

2003-11-21

The equation for the magnetic lead field for a given magnetoencephalography (MEG) channel is well known for arbitrary frequencies omega but is not directly applicable to MEG in the quasi-static approximation. In this paper we derive an equation for omega = 0 starting from the very definition of the lead field instead of using Helmholtz's reciprocity theorems. The results are (a) the transpose of the conductivity times the lead field is divergence-free, and (b) the lead field differs from the one in any other volume conductor by a gradient of a scalar function. Consequently, for a piecewise homogeneous and isotropic volume conductor, the lead field is always tangential at the outermost surface. Based on this theoretical result, we formulated a simple and fast method for the MEG forward calculation for one shell of arbitrary shape: we correct the corresponding lead field for a spherical volume conductor by a superposition of basis functions, gradients of harmonic functions constructed here from spherical harmonics, with coefficients fitted to the boundary conditions. The algorithm was tested for a prolate spheroid of realistic shape for which the analytical solution is known. For high order in the expansion, we found the solutions to be essentially exact and for reasonable accuracies much fewer multiplications are needed than in typical implementations of the boundary element methods. The generalization to more shells is straightforward.

Viscoelastic damped response of cross-ply laminated shallow spherical shells subjected to various impulsive loads

NASA Astrophysics Data System (ADS)

Şahan, Mehmet Fatih

2017-11-01

In this paper, the viscoelastic damped response of cross-ply laminated shallow spherical shells is investigated numerically in a transformed Laplace space. In the proposed approach, the governing differential equations of cross-ply laminated shallow spherical shell are derived using the dynamic version of the principle of virtual displacements. Following this, the Laplace transform is employed in the transient analysis of viscoelastic laminated shell problem. Also, damping can be incorporated with ease in the transformed domain. The transformed time-independent equations in spatial coordinate are solved numerically by Gauss elimination. Numerical inverse transformation of the results into the real domain are operated by the modified Durbin transform method. Verification of the presented method is carried out by comparing the results with those obtained by the Newmark method and ANSYS finite element software. Furthermore, the developed solution approach is applied to problems with several impulsive loads. The novelty of the present study lies in the fact that a combination of the Navier method and Laplace transform is employed in the analysis of cross-ply laminated shallow spherical viscoelastic shells. The numerical sample results have proved that the presented method constitutes a highly accurate and efficient solution, which can be easily applied to the laminated viscoelastic shell problems.

A Simplified Method of Elastic-Stability Analysis for Thin Cylindrical Shells

NASA Technical Reports Server (NTRS)

Batdorf, S B

1947-01-01

This paper develops a new method for determining the buckling stresses of cylindrical shells under various loading conditions. In part I, the equation for the equilibrium of cylindrical shells introduced by Donnell in NACA report no. 479 to find the critical stresses of cylinders in torsion is applied to find critical stresses for cylinders with simply supported edges under other loading conditions. In part II, a modified form of Donnell's equation for the equilibrium of thin cylindrical shells is derived which is equivalent to Donnell's equation but has certain advantages in physical interpretation and in ease of solution, particularly in the case of shells having clamped edges. The question of implicit boundary conditions is also considered.

Highly luminescent core-shell InP/ZnX (X = S, Se) quantum dots prepared via a phosphine synthetic route.

PubMed

Mordvinova, Natalia; Vinokurov, Alexander; Kuznetsova, Tatiana; Lebedev, Oleg I; Dorofeev, Sergey

2017-01-24

Here we report a simple method for the creation of highly luminescent core-shell InP/ZnX (X = S, Se) quantum dots (QDs) on the basis of a phosphine synthetic route. In this method a Zn precursor was added to the reaction mixture at the beginning of the synthesis to form an In(Zn)P alloy structure, which promoted the formation of a ZnX shell. Core-shell InP/ZnX QDs exhibit highly intensive emission with a quantum yield over 50%. The proposed method is primarily important for practical applications. Advantages of this method compared to the widely used SILAR technique are discussed. We further demonstrate that the SILAR approach consisting of consequent addition of Zn and chalcogen precursors to pre-prepared non-doped InP colloidal nanoparticles is not quite suitable for shell growth without the addition of special activator agents or the use of very reactive precursors.

Heat transport system, method and material

DOEpatents

Musinski, Donald L.

1987-01-01

A heat transport system, method and composite material in which a plurality of hollow spherical shells or microspheres having an outside diameter of less than or equal to 500 microns are encapsulated or embedded within a bulk material. Each shell has captured therein a volatile working fluid, such that each shell operates as a microsized heat pipe for conducting heat through the composite structure.

Estimating changes in mean body temperature for humans during exercise using core and skin temperatures is inaccurate even with a correction factor.

PubMed

Jay, Ollie; Reardon, Francis D; Webb, Paul; Ducharme, Michel B; Ramsay, Tim; Nettlefold, Lindsay; Kenny, Glen P

2007-08-01

Changes in mean body temperature (DeltaT(b)) estimated by the traditional two-compartment model of "core" and "shell" temperatures and an adjusted two-compartment model incorporating a correction factor were compared with values derived by whole body calorimetry. Sixty participants (31 men, 29 women) cycled at 40% of peak O(2) consumption for 60 or 90 min in the Snellen calorimeter at 24 or 30 degrees C. The core compartment was represented by esophageal, rectal (T(re)), and aural canal temperature, and the shell compartment was represented by a 12-point mean skin temperature (T(sk)). Using T(re) and conventional core-to-shell weightings (X) of 0.66, 0.79, and 0.90, mean DeltaT(b) estimation error (with 95% confidence interval limits in parentheses) for the traditional model was -95.2% (-83.0, -107.3) to -76.6% (-72.8, -80.5) after 10 min and -47.2% (-40.9, -53.5) to -22.6% (-14.5, -30.7) after 90 min. Using T(re), X = 0.80, and a correction factor (X(0)) of 0.40, mean DeltaT(b) estimation error for the adjusted model was +9.5% (+16.9, +2.1) to -0.3% (+11.9, -12.5) after 10 min and +15.0% (+27.2, +2.8) to -13.7% (-4.2, -23.3) after 90 min. Quadratic analyses of calorimetry DeltaT(b) data was subsequently used to derive best-fitting values of X for both models and X(0) for the adjusted model for each measure of core temperature. The most accurate model at any time point or condition only accounted for 20% of the variation observed in DeltaT(b) for the traditional model and 56% for the adjusted model. In conclusion, throughout exercise the estimation of DeltaT(b) using any measure of core temperature together with mean skin temperature irrespective of weighting is inaccurate even with a correction factor customized for the specific conditions.

Atomic structure calculations and identification of EUV and SXR spectral lines in Sr XXX

NASA Astrophysics Data System (ADS)

Goyal, Arun; Khatri, Indu; Aggarwal, Sunny; Singh, A. K.; Mohan, Man

2015-08-01

We report an extensive theoretical study of atomic data for Sr XXX in a wide range with L-shell electron excitations to the M-shell. We have calculated energy levels, wave-function compositions and lifetimes for lowest 113 fine structure levels and wavelengths of an extreme Ultraviolet (EUV) and soft X-ray (SXR) transitions. We have employed multi-configuration Dirac Fock method (MCDF) approach within the framework of Dirac-Coulomb Hamiltonian including quantum electrodynamics (QED) and Breit corrections. We have also presented the radiative data for electric and magnetic dipole (E1, M1) and quadrupole (E2, M2) transitions from the ground state. We have made comparisons with available energy levels compiled by NIST and achieve good agreement. But due to inadequate data in the literature, analogous relativistic distorted wave calculations have also been performed using flexible atomic code (FAC) to assess the reliability and accuracy of our results. Additionally, we have provided new atomic data for Sr XXX which is not published elsewhere in the literature and we believe that our results may be beneficial in fusion plasma research and astrophysical investigations and applications.

Stress concentration in a cylindrical shell containing a circular hole.

NASA Technical Reports Server (NTRS)

Adams, N. J. I.

1971-01-01

The state of stress in a cylindrical shell containing a circular cutout was determined for axial tension, torsion, and internal pressure loading. The solution was obtained for the shallow shell equations by a variational method. The results were expressed in terms of a nondimensional curvature parameter which was a function of shell radius, shell thickness, and hole radius. The function chosen for the solution was such that when the radius of the cylindrical shell approaches infinity, the flat-plate solution was obtained. The results are compared with solutions obtained by more rigorous analytical methods, and with some experimental results. For small values of the curvature parameter, the agreement is good. For higher values of the curvature parameter, the present solutions indicate a limiting value of stress concentration, which is in contrast to previous results.

The Design of 3D-Printed Lattice-Reinforced Thickness-Varying Shell Molds for Castings.

PubMed

Shangguan, Haolong; Kang, Jinwu; Yi, Jihao; Zhang, Xiaochuan; Wang, Xiang; Wang, Haibin; Huang, Tao

2018-03-30

3D printing technologies have been used gradually for the fabrication of sand molds and cores for castings, even though these molds and cores are dense structures. In this paper, a generation method for lattice-reinforced thickness-varying shell molds is proposed and presented. The first step is the discretization of the STL (Stereo Lithography) model of a casting into finite difference meshes. After this, a shell is formed by surrounding the casting with varying thickness, which is roughly proportional to the surface temperature distribution of the casting that is acquired by virtually cooling it in the environment. A regular lattice is subsequently constructed to support the shell. The outside surface of the shell and lattice in the cubic mesh format is then converted to STL format to serve as the external surface of the new shell mold. The internal surface of the new mold is the casting's surface with the normals of all of the triangles in STL format reversed. Experimental verification was performed on an Al alloy wheel hub casting. Its lattice-reinforced thickness-varying shell mold was generated by the proposed method and fabricated by the binder jetting 3D printing. The poured wheel hub casting was sound and of good surface smoothness. The cooling rate of the wheel hub casting was greatly increased due to the shell mold structure. This lattice-reinforced thickness-varying shell mold generation method is of great significance for mold design for castings to achieve cooling control.

The Design of 3D-Printed Lattice-Reinforced Thickness-Varying Shell Molds for Castings

PubMed Central

Shangguan, Haolong; Kang, Jinwu; Yi, Jihao; Zhang, Xiaochuan; Wang, Xiang; Wang, Haibin; Huang, Tao

2018-01-01

3D printing technologies have been used gradually for the fabrication of sand molds and cores for castings, even though these molds and cores are dense structures. In this paper, a generation method for lattice-reinforced thickness-varying shell molds is proposed and presented. The first step is the discretization of the STL (Stereo Lithography) model of a casting into finite difference meshes. After this, a shell is formed by surrounding the casting with varying thickness, which is roughly proportional to the surface temperature distribution of the casting that is acquired by virtually cooling it in the environment. A regular lattice is subsequently constructed to support the shell. The outside surface of the shell and lattice in the cubic mesh format is then converted to STL format to serve as the external surface of the new shell mold. The internal surface of the new mold is the casting’s surface with the normals of all of the triangles in STL format reversed. Experimental verification was performed on an Al alloy wheel hub casting. Its lattice-reinforced thickness-varying shell mold was generated by the proposed method and fabricated by the binder jetting 3D printing. The poured wheel hub casting was sound and of good surface smoothness. The cooling rate of the wheel hub casting was greatly increased due to the shell mold structure. This lattice-reinforced thickness-varying shell mold generation method is of great significance for mold design for castings to achieve cooling control. PMID:29601543

ISICS2008: An expanded version of ISICS for calculating K-, L-, and M-shell cross sections from PWBA and ECPSSR theory

NASA Astrophysics Data System (ADS)

Cipolla, Sam J.

2009-09-01

New version program summaryProgram title: ISICS2008 Catalogue identifier: ADDS_v4_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADDS_v4_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5420 No. of bytes in distributed program, including test data, etc.: 107 669 Distribution format: tar.gz Programming language: C Computer: 80 486 or higher level PCs Operating system: Windows XP and all earlier operating systems Classification: 16.7 Catalogue identifier of previous version: ADDS_v3_0 Journal reference of previous version: Comput. Phys. Comm. 179 (2008) 616 Does the new version supersede the previous version?: Yes Nature of problem: Ionization and X-ray production cross section calculations for ion-atom collisions. Solution method: Numerical integration of form factor using a logarithmic transform and Gaussian quadrature, plus exact integration limits. Reasons for new version: Addition of relativistic treatment of both projectile and K-shell electrons. Summary of revisions: A new addition to ISICS is the option (R) to calculate ECPSSR cross sections that account for the relativistic treatment of both projectile and K-shell electron, as proposed recently by Lapicki [1], accordingly as σKRECPSSR=Cṡ(1+0.07(()ṡσ(√{(mKRυ1R)}/Z,ςθ), where υ1R is the relativistic projectile velocity. The option can also be invoked in calculating ECPSShsR, where hsR stands for the Hartree-Slater description of the K-shell electron, which was already incorporated into ISICS2006 [2,3], and is now expressed in this option as, σKRECPSShsR=CṡhsR((2υ1R)/(Zςθ),Z/137)ṡ(1+0.07(()ṡσ(υ1R/Z,ςθ) using the function hsR that is already incorporated into ISICS2006. It should be noted that these expressions are corrected versions [4] from the ones published in Ref. [1]. In this new version, ISICS2008, the option line in the main menu that read "Use Relativistic Proj. velocity" has been replaced by "R option for K-shell … Uses Rel. Proj. vel.". As before, various combinations of options can be utilized and each is denoted in the output. Restrictions: The consumed CPU time increases with the atomic shell (K,L,M), but execution is still very fast. Additional comments: A revised User Manual is included in the distribution file. Running time: This depends on which shell and the number of different energies to be used in the calculation. The running time is not significantly changed from the previous version. As before, to calculate K-shell cross sections for protons striking carbon for 19 different proton energies it took less than 10 s; to calculate M-shell cross sections for protons on gold for 21 proton energies it took 4.2 min. References:G. Lapicki, J. Phys. B: At. Mol. Op. Phys. 41 (2008) 115201. S. Cipolla, Comput. Phys. Comm. 176 (2007) 157. S. Cipolla, Nucl. Instrum. Methods Phys. Res. B 261 (2007) 142. G. Lapicki, private communication.

Hyperfine coupling constants of the nitrogen and phosphorus atoms: A challenge for exact-exchange density-functional and post-Hartree-Fock methods

NASA Astrophysics Data System (ADS)

Kaupp, Martin; Arbuznikov, Alexei V.; Heßelmann, Andreas; Görling, Andreas

2010-05-01

The isotropic hyperfine coupling constants of the free N(S4) and P(S4) atoms have been evaluated with high-level post-Hartree-Fock and density-functional methods. The phosphorus hyperfine coupling presents a significant challenge to both types of methods. With large basis sets, MP2 and coupled-cluster singles and doubles calculations give much too small values for the phosphorus atom. Triple excitations are needed in coupled-cluster calculations to achieve reasonable agreement with experiment. None of the standard density functionals reproduce even the correct sign of this hyperfine coupling. Similarly, the computed hyperfine couplings depend crucially on the self-consistent treatment in exact-exchange density-functional theory within the optimized effective potential (OEP) method. Well-balanced auxiliary and orbital basis sets are needed for basis-expansion exact-exchange-only OEP approaches to come close to Hartree-Fock or numerical OEP data. Results from the localized Hartree-Fock and Krieger-Li-Iafrate approximations deviate notably from exact OEP data in spite of very similar total energies. Of the functionals tested, only full exact-exchange methods augmented by a correlation functional gave at least the correct sign of the P(S4) hyperfine coupling but with too low absolute values. The subtle interplay between the spin-polarization contributions of the different core shells has been analyzed, and the influence of even very small changes in the exchange-correlation potential could be identified.

Developments in Cylindrical Shell Stability Analysis

NASA Technical Reports Server (NTRS)

Knight, Norman F., Jr.; Starnes, James H., Jr.

1998-01-01

Today high-performance computing systems and new analytical and numerical techniques enable engineers to explore the use of advanced materials for shell design. This paper reviews some of the historical developments of shell buckling analysis and design. The paper concludes by identifying key research directions for reliable and robust methods development in shell stability analysis and design.

Variational finite-difference methods in linear and nonlinear problems of the deformation of metallic and composite shells (review)

NASA Astrophysics Data System (ADS)

Maksimyuk, V. A.; Storozhuk, E. A.; Chernyshenko, I. S.

2012-11-01

Variational finite-difference methods of solving linear and nonlinear problems for thin and nonthin shells (plates) made of homogeneous isotropic (metallic) and orthotropic (composite) materials are analyzed and their classification principles and structure are discussed. Scalar and vector variational finite-difference methods that implement the Kirchhoff-Love hypotheses analytically or algorithmically using Lagrange multipliers are outlined. The Timoshenko hypotheses are implemented in a traditional way, i.e., analytically. The stress-strain state of metallic and composite shells of complex geometry is analyzed numerically. The numerical results are presented in the form of graphs and tables and used to assess the efficiency of using the variational finite-difference methods to solve linear and nonlinear problems of the statics of shells (plates)

Quantum collapse of dust shells in 2 + 1 gravity

NASA Astrophysics Data System (ADS)

Ortíz, L.; Ryan, M. P.

2007-08-01

This paper considers the quantum collapse of infinitesimally thin dust shells in 2 + 1 gravity. In 2 + 1 gravity a shell is no longer a sphere, but a ring of matter. The classical equation of motion of such shells in terms of variables defined on the shell has been considered by Peleg and Steif (Phys Rev D 51:3992, 1995), using the 2 + 1 version of the original formulation of Israel (Nuovo Cimento B 44:1, 1966), and Crisóstomo and Olea (Phys Rev D 69:104023, 2004), using canonical methods. The minisuperspace quantum problem can be reduced to that of a harmonic oscillator in terms of the curvature radius of the shell, which allows us to use well-known methods to find the motion of coherent wave packets that give the quantum collapse of the shell. Classically, as the radius of the shell falls below a certain point, a horizon forms. In the quantum problem one can define various quantities that give “indications” of horizon formation. Without a proper definition of a “horizon” in quantum gravity, these can be nothing but indications.

Bivalve shell horizons in seafloor pockmarks of the last glacial-interglacial transition: a thousand years of methane emissions in the Arctic Ocean

NASA Astrophysics Data System (ADS)

Ambrose, William G.; Panieri, Giuliana; Schneider, Andrea; Plaza-Faverola, Andreia; Carroll, Michael L.; Åström, Emmelie K. L.; Locke, William L.; Carroll, JoLynn

2015-12-01

We studied discrete bivalve shell horizons in two gravity cores from seafloor pockmarks on the Vestnesa Ridge (˜1200 m water depth) and western Svalbard (79°00' N, 06°55' W) to provide insight into the temporal and spatial dynamics of seabed methane seeps. The shell beds, dominated by two genera of the family Vesicomyidae: Phreagena s.l. and Isorropodon sp., were 20-30 cm thick and centered at 250-400 cm deep in the cores. The carbon isotope composition of inorganic (δ13C from -13.02‰ to +2.36‰) and organic (δ13C from -29.28‰ to -21.33‰) shell material and a two-end member mixing model indicate that these taxa derived between 8% and 43% of their nutrition from chemosynthetic bacteria. In addition, negative δ13C values for planktonic foraminifera (-6.7‰ to -3.1‰), concretions identified as methane-derived authigenic carbonates, and pyrite-encrusted fossil worm tubes at the shell horizons indicate a sustained paleo-methane seep environment. Combining sedimentation rates with 14C ages for bivalve material from the shell horizons, we estimate the horizons persisted for about 1000 years between approximately 17,707 and 16,680 years B.P. (corrected). The seepage event over a 1000 year time interval was most likely associated with regional stress-related faulting and the subsequent release of overpressurized fluids.

Structural design and analysis for an ultra low CTE optical bench for the Hubble Space Telescope corrective optics

NASA Technical Reports Server (NTRS)

Neam, Douglas C.; Gerber, John D.

1992-01-01

The stringent stability requirements of the Corrective Optics Space Telescope Axial Replacement (COSTAR) necessitates a Deployable Optical Bench (DOB) with both a low CTE and high resonant frequency. The DOB design consists of a monocoque thin shell structure which marries metallic machined parts with graphite epoxy formed structure. Structural analysis of the DOB has been integrated into the laminate design and optimization process. Also, the structural analytical results are compared with vibration and thermal test data to assess the reliability of the analysis.

Automatic determination of 3D orientations of fossilized oyster shells from a densely packed Miocene shell bed

NASA Astrophysics Data System (ADS)

Puttonen, Ana; Harzhauser, Mathias; Puttonen, Eetu; Mandic, Oleg; Székely, Balázs; Molnár, Gábor; Pfeifer, Norbert

2018-02-01

Shell beds represent a useful source of information on various physical processes that cause the depositional condition. We present an automated method to calculate the 3D orientations of a large number of elongate and platy objects (fossilized oyster shells) on a sedimentary bedding plane, developed to support the interpretation of possible depositional patterns, imbrications, or impact of local faults. The study focusses on more than 1900 fossil oyster shells exposed in a densely packed Miocene shell bed. 3D data were acquired by terrestrial laser scanning on an area of 459 m2 with a resolution of 1 mm. Bivalve shells were manually defined as 3D-point clouds of a digital surface model and stored in an ArcGIS database. An individual shell coordinate system (ISCS) was virtually embedded into each shell and its orientation was determined relative to the coordinate system of the entire, tectonically tilted shell bed. Orientation is described by the rotation angles roll, pitch, and yaw in a Cartesian coordinate system. This method allows an efficient measurement and analysis of the orientation of thousands of specimens and is a major advantage compared to the traditional 2D approach, which measures only the azimuth (yaw) angles. The resulting data can variously be utilized for taphonomic analyses and the reconstruction of prevailing hydrodynamic regimes and depositional environments. For the first time, the influence of possible post-sedimentary vertical displacements can be quantified with high accuracy. Here, the effect of nearby fault lines—present in the reef—was tested on strongly tilted oyster shells, but it was found out that the fault lines did not have a statistically significant effect on the large tilt angles. Aside from the high reproducibility, a further advantage of the method is its non-destructive nature, which is especially suitable for geoparks and protected sites such as the studied shell bed.

A general and high-yield galvanic displacement approach to Au-M (M = Au, Pd, and Pt) core-shell nanostructures with porous shells and enhanced electrocatalytic performances.

PubMed

Kuai, Long; Geng, Baoyou; Wang, Shaozhen; Sang, Yan

2012-07-23

In this work, we utilize the galvanic displacement synthesis and make it a general and efficient method for the preparation of Au-M (M = Au, Pd, and Pt) core-shell nanostructures with porous shells, which consist of multilayer nanoparticles. The method is generally applicable to the preparation of Au-Au, Au-Pd, and Au-Pt core-shell nanostructures with typical porous shells. Moreover, the Au-Au isomeric core-shell nanostructure is reported for the first time. The lower oxidation states of Au(I), Pd(II), and Pt(II) are supposed to contribute to the formation of porous core-shell nanostructures instead of yolk-shell nanostructures. The electrocatalytic ethanol oxidation and oxygen reduction reaction (ORR) performance of porous Au-Pd core-shell nanostructures are assessed as a typical example for the investigation of the advantages of the obtained core-shell nanostructures. As expected, the Au-Pd core-shell nanostructure indeed exhibits a significantly reduced overpotential (the peak potential is shifted in the positive direction by 44 mV and 32 mV), a much improved CO tolerance (I(f)/I(b) is 3.6 and 1.63 times higher), and an enhanced catalytic stability in comparison with Pd nanoparticles and Pt/C catalysts. Thus, porous Au-M (M = Au, Pd, and Pt) core-shell nanostructures may provide many opportunities in the fields of organic catalysis, direct alcohol fuel cells, surface-enhanced Raman scattering, and so forth. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Heat transport system, method and material

DOEpatents

Musinski, D.L.

1987-04-28

A heat transport system, method and composite material are disclosed in which a plurality of hollow spherical shells or microspheres having an outside diameter of less than or equal to 500 microns are encapsulated or embedded within a bulk material. Each shell has captured therein a volatile working fluid, such that each shell operates as a microsized heat pipe for conducting heat through the composite structure. 1 fig.

Forward calculation of gravity and its gradient using polyhedral representation of density interfaces: an application of spherical or ellipsoidal topographic gravity effect

NASA Astrophysics Data System (ADS)

Zhang, Yi; Chen, Chao

2018-02-01

A density interface modeling method using polyhedral representation is proposed to construct 3-D models of spherical or ellipsoidal interfaces such as the terrain surface of the Earth and applied to forward calculating gravity effect of topography and bathymetry for regional or global applications. The method utilizes triangular facets to fit undulation of the target interface. The model maintains almost equal accuracy and resolution at different locations of the globe. Meanwhile, the exterior gravitational field of the model, including its gravity and gravity gradients, is obtained simultaneously using analytic solutions. Additionally, considering the effect of distant relief, an adaptive computation process is introduced to reduce the computational burden. Then features and errors of the method are analyzed. Subsequently, the method is applied to an area for the ellipsoidal Bouguer shell correction as an example and the result is compared to existing methods, which shows our method provides high accuracy and great computational efficiency. Suggestions for further developments and conclusions are drawn at last.

Performance analysis of the node shell on a container door based on ANSYS

NASA Astrophysics Data System (ADS)

Li, Qingzhou; Zhou, Yi; Hu, Changqing; Cheng, Jiamin; Zeng, Xiaochen

2018-01-01

The structure of thenode shell on a container door was designed and analyzed in this study. The model of the shell was developed with ANSYS. The grids of the model were divided based on the Hex dominant method, and the stress distribution and the temperature distribution of the shell were calculated based on FEA (Finite Element Analysis) method. The analysis results indicated thatthe location of the concave upward side has the highest stress which also lower than the strength limit of the material. The temperature of the magnet installation location was highest, therefore the glue for fixing the magnet must has high temperature resistance. The results provide the basis for the further optimization of the shell.

The Method of Immersion the Problem of Comparing Technical Objects in an Expert Shell in the Class of Artificial Intelligence Algorithms

NASA Astrophysics Data System (ADS)

Sergey Vasilievich, Buharin; Aleksandr Vladimirovich, Melnikov; Svetlana Nikolaevna, Chernyaeva; Lyudmila Anatolievna, Korobova

2017-08-01

The method of dip of the underlying computational problem of comparing technical object in an expert shell in the class of data mining methods is examined. An example of using the proposed method is given.

Synthesis of hollow silica spheres with hierarchical shell structure by the dual action of liquid indium microbeads in vapor-liquid-solid growth.

PubMed

Wang, Jian-Tao; Wang, Hui; Ou, Xue-Mei; Lee, Chun-Sing; Zhang, Xiao-Hong

2011-07-05

Geometry-based adhesion arising from hierarchical surface structure enables microspheres to adhere to cells strongly, which is essential for inorganic microcapsules that function as drug delivery or diagnostic imaging agents. However, constructing a hierarchical structure on the outer shell of the products via the current microcapsule synthesis method is difficult. This work presents a novel approach to fabricating hollow microspheres with a hierarchical shell structure through the vapor-liquid-solid (VLS) process in which liquid indium droplets act as both templates for the formation of silica capsules and catalysts for the growth of hierarchical shell structure. This hierarchical shell structure offers the hollow microsphere an enhanced geometry-based adhesion. The results provide a facile method for fabricating hollow spheres and enriching their function through tailoring the geometry of their outer shells. © 2011 American Chemical Society

Inner-shell chemistry under high pressure

NASA Astrophysics Data System (ADS)

Miao, Maosheng; Botana, Jorge; Pravica, Michael; Sneed, Daniel; Park, Changyong

2017-05-01

Chemistry at ambient conditions has implicit boundaries rooted in the atomic shell structure: the inner-shell electrons and the unoccupied outer-shell orbitals do not contribute as the major component to chemical reactions and in chemical bonds. These general rules govern our understanding of chemical structures and reactions. We review the recent progresses in high-pressure chemistry demonstrating that the above rules can be violated under extreme conditions. Using a first principles computation method and crystal structure search algorithm, we demonstrate that stable compounds involving inner shell electrons such as CsF3, CsF5, HgF3, and HgF4 can form under high external pressure and may present exotic properties. We also discuss experimental studies that have sought to confirm these predictions. Employing our recently developed hard X-ray photochemistry methods in a diamond anvil cell, we show promising early results toward realizing inner shell chemistry experimentally.

Fabrication of polyacrylate core-shell nanoparticles via spray drying method

NASA Astrophysics Data System (ADS)

Chen, Pengpeng; Cheng, Zenghui; Chu, Fuxiang; Xu, Yuzhi; Wang, Chunpeng

2016-05-01

Fine polyacrylate particles are thought to be environmental plastisols for car industry. However, these particles are mainly dried through demulsification of the latexes, which is not reproducible and hard to be scaled up. In this work, a spray drying method had been applied to the plastisols-used acrylate latex. By adjusting the core/shell ratio, spray drying process of the latex was fully studied. Scanning electronic microscopy observation of the nanoparticles before and after spray drying indicated that the core-shell structures could be well preserved and particles were well separated by spray drying if the shell was thick enough. Otherwise, the particles fused into each other and core-shell structures were destroyed. Polyacrylate plastisols were developed using diisononylphthalate as a plasticizer, and plastigels were obtained after heat treatment of the sols. Results showed that the shell thickness also had a great influence on the storage stability of the plastisols and mechanical properties of the plastigels.

Structural Assessment of Advanced Composite Tow-Steered Shells

NASA Technical Reports Server (NTRS)

Wu, K. Chauncey; Stanford, Bret K.; Hrinda, Glenn A.; Wang, Zhuosong; Martin, Robert a.; Kim, H. Alicia

2013-01-01

The structural performance of two advanced composite tow-steered shells, manufactured using a fiber placement system, is assessed using both experimental and analytical methods. The fiber orientation angles vary continuously around the shell circumference from 10 degrees on the shell crown and keel, to 45 degrees on the shell sides. The two shells differ in that one shell has the full 24-tow course applied during each pass of the fiber placement system, while the second shell uses the fiber placement system s tow drop/add capability to achieve a more uniform shell wall thickness. The shells are tested in axial compression, and estimates of their prebuckling axial stiffnesses and bifurcation buckling loads are predicted using linear finite element analyses. These preliminary predictions compare well with the test results, with an average agreement of approximately 10 percent.

Gold decorated NaYF4:Yb,Er/NaYF4/silica (core/shell/shell) upconversion nanoparticles for photothermal destruction of BE(2)-C neuroblastoma cells

NASA Astrophysics Data System (ADS)

Qian, Li Peng; Zhou, Li Han; Too, Heng-Phon; Chow, Gan-Moog

2011-02-01

Gold decorated NaYF4:Yb,Er/NaYF4/silica (core/shell/shell) upconversion (UC) nanoparticles ( 70-80 nm) were synthesized using tetraethyl orthosilicate and chloroauric acid in a one-step reverse microemulsion method. Gold nanoparticles ( 6 nm) were deposited on the surface of silica shell of these core/shell/shell nanoparticles. The total upconversion emission intensity (green, red, and blue) of the core/shell/shell nanoparticles decreased by 31% after Au was deposited on the surface of silica shell. The upconverted green light was coupled with the surface plasmon of Au leading to rapid heat conversion. These UC/silica/Au nanoparticles were very efficient to destroy BE(2)-C cancer cells and showed strong potential in photothermal therapy.

Nuclear mass formula with the shell energies obtained by a new method

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

Koura, H.; Tachibana, T.; Yamada, M.

1998-12-21

Nuclear shapes and masses are estimated by a new method. The main feature of this method lies in estimating shell energies of deformed nuclei from spherical shell energies by mixing them with appropriate weights. The spherical shell energies are calculated from single-particle potentials, and, till now, two mass formulas have been constructed from two different sets of potential parameters. The standard deviation of the calculated masses from all the experimental masses of the 1995 Mass Evaluation is about 760 keV. Contrary to the mass formula by Tachibana, Uno, Yamada and Yamada in the 1987-1988 Atomic Mass Predictions, the present formulasmore » can give nuclear shapes and predict on super-heavy elements.« less

Aeroelastic analysis of circular cylindrical and truncated conical shells subjected to a supersonic flow

NASA Astrophysics Data System (ADS)

Sabri, Farhad

Shells of revolution, particularly cylindrical and conical shells, are one of the basic structural elements in the aerospace structures. With the advent of high speed aircrafts, these shells can show dynamic instabilities when they are exposed to a supersonic flow. Therefore, aeroelastic analysis of these elements is one of the primary design criteria which aeronautical engineers are dealing with. This analysis can be done with the help of finite element method (FEM) coupled with the computational fluid dynamic (CFD) or by experimental methods but it is time consuming and very expensive. The purpose of this dissertation is to develop such a numerical tool to do aeroelastic analysis in a fast and precise way. Meanwhile during the design stage, where the different configurations, loading and boundary conditions may need to be analyzed, this numerical method can be used very easily with the high order of reliability. In this study structural modeling is a combination of linear Sanders thin shell theory and classical finite element method. Based on this hybrid finite element method, the shell displacements are found from the exact solutions of shell theory rather than approximating by polynomial function done in traditional finite element method. This leads to a precise and fast convergence. Supersonic aerodynamic modeling is done based on the piston theory and modified piston theory with the shell curvature term. The stress stiffening due to lateral pressure and axial compression are also taken into accounts. Fluid-structure interaction in the presence of inside quiescent fluid is modeled based on the potential theory. In this method, fluid is considered as a velocity potential variable at each node of the shell element where its motion is expressed in terms of nodal elastic displacements at the fluid-structure interface. This proposed hybrid finite element has capabilities to do following analysis: (i) Buckling and vibration of an empty or partially fluid filled circular cylindrical shell or truncated conical shell subjected to internal/external pressure and axial compression loading. This is a typical example of external liquid propellant tanks of space shuttles and re-entry vehicles where they may experience this kind of loading during the flight. In the current work, different end boundary conditions of a circular cylindrical shell with different filling ratios were analyzed. To the best author' knowledge this is the first study where this kind of complex loading and boundary conditions are treated together during such an analysis. Only static instability, divergence, was observed where it showed that the fluid filling ratio does not have any effect on the critical buckling pressure and axial compression. It only reduces the vibration frequencies. It also revealed that the pressurized shell loses its stability at a higher critical axial load. (ii) Aeroelastic analysis of empty or partially liquid filled circular cylindrical and conical shells. Different boundary conditions with different geometries of shells subjected to supersonic air flow are studied here. In all of cases shell loses its stability though the coupled mode flutter. The results showed that internal pressure has a stabilizing effect and increases the critical flutter speed. It is seen that the value of critical dynamic pressure changes rapidly and widely as the filling ratio increases from a low value. In addition, by increasing the length ratio the decrement of flutter speed is decreased and vanishes. This rapid change in critical dynamic pressure at low filling ratios and its almost steady behaviour at large filling ratios indicate that the fluid near the bottom of the shell is largely influenced by elastic deformation when a shell is subjected to external subsonic flow. Based on comparison with the existing numerical, analytical and experimental data and the power of capabilities of this hybrid finite element method to model different boundary conditions and complex loadings, this FEM package can be used effectively for the design of advanced aerospace structures. It provides the results at less computational cost compare to the commercial FEM software, which imposes some restrictions when such an analysis is done.

Facile method for preparing organic/inorganic hybrid capsules using amino-functional silane coupling agent in aqueous media.

PubMed

Kurayama, Fumio; Suzuki, Satoru; Oyamada, Tetsuro; Furusawa, Takeshi; Sato, Masahide; Suzuki, Noboru

2010-09-01

A new and facile method for preparing microcapsules with 3-aminopropyltriethoxysilane (APTES)/alginate hybrid shell (AP-capsule) is proposed based on gelling and sol-gel processes. In this method, conventional capsules with alginate shells (Alg-capsule) are produced by dripping carboxymethyl cellulose solution containing calcium chloride into a sodium alginate solution. Subsequently, addition of the Alg-capsules to an aqueous APTES solution induces the formation of APTES/alginate hybrid shells. The optical observation shows that the texture of AP-capsules is more glossy and transparent than that of Alg-capsules. The surface morphology and elemental composition of microcapsules were characterized by Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FT-IR) and X-ray Photoelectron Spectroscopy (XPS). The results suggest that APTES molecules are incorporated to the framework of the alginate shells via electrostatic interaction between amino groups of APTES and carboxyl groups of alginate and the hybrid shells have a dense and homogeneous structure. In the formation reaction, the shrinking of the capsule shells occurs and the accumulation of APTES in the capsule shells proceeds with pseudo first-order kinetics. Moreover, these behaviors are greatly influenced by pH of the reaction solution, especially promoted under acidic and alkaline conditions. Copyright 2010 Elsevier Inc. All rights reserved.

Structural and electrical properties of TiO{sub 2}/ZnO core–shell nanoparticles synthesized by hydrothermal method

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

Vlazan, P.; Ursu, D.H.; Irina-Moisescu, C.

TiO{sub 2}/ZnO core–shell nanoparticles were successfully synthesized by hydrothermal method in two stages: first stage is the hydrothermal synthesis of ZnO nanoparticles and second stage the obtained ZnO nanoparticles are encapsulated in TiO{sub 2}. The obtained ZnO, TiO{sub 2} and TiO{sub 2}/ZnO core–shell nanoparticles were investigated by means of X-ray diffraction, transmission electron microscopy, Brunauer, Emmett, Teller and resistance measurements. X-ray diffraction analysis revealed the presence of both, TiO{sub 2} and ZnO phases in TiO{sub 2}/ZnO core–shell nanoparticles. According to transmission electron microscopy images, ZnO nanoparticles have hexagonal shapes, TiO{sub 2} nanoparticles have a spherical shape, and TiO{sub 2}/ZnO core–shellmore » nanoparticles present agglomerates and the shape of particles is not well defined. The activation energy of TiO{sub 2}/ZnO core–shell nanoparticles was about 101 meV. - Graphical abstract: Display Omitted - Highlights: • TiO{sub 2}/ZnO core–shell nanoparticles were synthesized by hydrothermal method. • TiO{sub 2}/ZnO core–shell nanoparticles were investigated by means of XRD, TEM and BET. • Electrical properties of TiO{sub 2}/ZnO core–shell nanoparticles were investigated. • The activation energy of TiO{sub 2}/ZnO core–shell nanoparticles was about E{sub a} = 101 meV.« less

Measurement of inflight shell areal density near peak velocity using a self backlighting technique

NASA Astrophysics Data System (ADS)

Pickworth, L. A.; Hammel, B. A.; Smalyuk, V. A.; MacPhee, A. G.; Scott, H. A.; Robey, H. F.; Landen, O. L.; Barrios, M. A.; Regan, S. P.; Schneider, M. B.; Hoppe, M., Jr.; Kohut, T.; Holunga, D.; Walters, C.; Haid, B.; Dayton, M.

2016-05-01

The growth of perturbations in inertial confinement fusion (ICF) capsules can lead to significant variation of inflight shell areal density (ρR), ultimately resulting in poor compression and ablator material mixing into the hotspot. As the capsule is accelerated inward, the perturbation growth results from the initial shock-transit through the shell and then amplification by Rayleigh-Taylor as the shell accelerates inwards. Measurements of ρR perturbations near peak implosion velocity (PV) are essential to our understanding of ICF implosions because they reflect the integrity of the capsule, after the inward acceleration growth is complete, of the actual shell perturbations including native capsule surface roughness and “isolated defects”. Quantitative measurements of shell-ρR perturbations in capsules near PV are challenging, requiring a new method with which to radiograph the shell. An innovative method, utilized in this paper, is to use the self-emission from the hotspot to “self- backlight” the shell inflight. However, with nominal capsule fills there is insufficient self-emission for this method until the capsule nears peak compression (PC). We produce a sufficiently bright continuum self-emission backlighter through the addition of a high-Z gas (∼ 1% Ar) to the capsule fill. This provides a significant (∼10x) increase in emission at hυ∼8 keV over nominal fills. “Self backlit” radiographs are obtained for times when the shock is rebounding from the capsule center, expanding out to meet the incoming shell, providing a means to sample the capsule optical density though only one side, as it converges through PV.

Reconfigurable Polymer Shells on Shape-Anisotropic Gold Nanoparticle Cores.

PubMed

Kim, Juyeong; Song, Xiaohui; Kim, Ahyoung; Luo, Binbin; Smith, John W; Ou, Zihao; Wu, Zixuan; Chen, Qian

2018-05-03

Reconfigurable hybrid nanoparticles made by decorating flexible polymer shells on rigid inorganic nanoparticle cores can provide a unique means to build stimuli-responsive functional materials. The polymer shell reconfiguration has been expected to depend on the local core shape details, but limited systematic investigations have been undertaken. Here, two literature methods are adapted to coat either thiol-terminated polystyrene (PS) or polystyrene-poly(acrylic acid) (PS-b-PAA) shells onto a series of anisotropic gold nanoparticles of shapes not studied previously, including octahedron, concave cube, and bipyramid. These core shapes are complex, rendering shell contours with nanoscale details (e.g., local surface curvature, shell thickness) that are imaged and analyzed quantitatively using the authors' customized analysis codes. It is found that the hybrid nanoparticles based on the chosen core shapes, when coated with the above two polymer shells, exhibit distinct shell segregations upon a variation in solvent polarity or temperature. It is demonstrated for the PS-b-PAA-coated hybrid nanoparticles, the shell segregation is maintained even after a further decoration of the shell periphery with gold seeds; these seeds can potentially facilitate subsequent deposition of other nanostructures to enrich structural and functional diversity. These synthesis, imaging, and analysis methods for the hybrid nanoparticles of anisotropically shaped cores can potentially aid in their predictive design for materials reconfigurable from the bottom up. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Deformation of compound shells under action of internal shock wave loading

NASA Astrophysics Data System (ADS)

Chernobryvko, Marina; Kruszka, Leopold; Avramov, Konstantin

2015-09-01

The compound shells under the action of internal shock wave loading are considered. The compound shell consists of a thin cylindrical shell and two thin parabolic shells at the edges. The boundary conditions in the shells joints satisfy the equality of displacements. The internal shock wave loading is modelled as the surplus pressure surface. This pressure is a function of the shell coordinates and time. The strain rate deformation of compound shell takes place in both the elastic and in plastic stages. In the elastic stage the equations of the structure motions are obtained by the assumed-modes method, which uses the kinetic and potential energies of the cylindrical and two parabolic shells. The dynamic behaviour of compound shells is treated. In local plastic zones the 3-D thermo-elastic-plastic model is used. The deformations are described by nonlinear model. The stress tensor elements are determined using dynamic deformation theory. The deformation properties of materials are influenced by the strain rate behaviour, the influence of temperature parameters, and the elastic-plastic properties of materials. The dynamic yield point of materials and Pisarenko-Lebedev's criterion of destruction are used. The modified adaptive finite differences method of numerical analysis is suggested for those simulations. The accuracy of the numerical simulation is verified on each temporal step of calculation and in the case of large deformation gradients.

Evaluation of reef shell embankment : final report.

DOT National Transportation Integrated Search

1980-12-01

This report discusses a method of constructing an embankment over marshland soils by end-dumping reef shell directly onto the marshland with no other major subgrade preparation. The dumped reef shell is then spread out to form a "floating" embankment...

Abnormal elastic modulus behavior in a crystalline-amorphous core-shell nanowire system.

PubMed

Lee, Jeong Hwan; Choi, Su Ji; Kwon, Ji Hwan; Van Lam, Do; Lee, Seung Mo; Kim, An Soon; Baik, Hion Suck; Ahn, Sang Jung; Hong, Seong Gu; Yun, Yong Ju; Kim, Young Heon

2018-06-13

We investigated the elastic modulus behavior of crystalline InAs/amorphous Al2O3 core-shell heterostructured nanowires with shell thicknesses varying between 10 and 90 nm by conducting in situ tensile tests inside a transmission electron microscope (TEM). Counterintuitively, the elastic modulus behaviors of InAs/Al2O3 core-shell nanowires differ greatly from those of bulk-scale composite materials, free from size effects. According to our results, the elastic modulus of InAs/Al2O3 core-shell nanowires increases, peaking at a shell thickness of 40 nm, and then decreases in the range of 50-90 nm. This abnormal behavior is attributed to the continuous decrease in the elastic modulus of the Al2O3 shell as the thickness increases, which is caused by changes in the atomic/electronic structure during the atomic layer deposition process and the relaxation of residual stress/strain in the shell transferred from the interfacial mismatch between the core and shell materials. A novel method for estimating the elastic modulus of the shell in a heterostructured core-shell system was suggested by considering these two effects, and the predictions from the suggested method coincided well with the experimental results. We also found that the former and latter effects account for 89% and 11% of the change in the elastic modulus of the shell. This study provides new insight by showing that the size dependency, which is caused by the inhomogeneity of the atomic/electronic structure and the residual stress/strain, must be considered to evaluate the mechanical properties of heterostructured nanowires.

Isolation and characterization of melanin pigment from yesso scallop Patinopecten yessoensis

NASA Astrophysics Data System (ADS)

Sun, Xiujun; Wu, Biao; Zhou, Liqing; Liu, Zhihong; Dong, Yinghui; Yang, Aiguo

2017-04-01

Melanin is one of the essential compounds in the pigments of molluscan shells. However, the effects of melanin on color variations in molluscs are largely unknown. Our previous study suggests that Yesso scallop Patinopecten yessoensis might contain melanin pigment in the dark brown shell. We therefore isolated melanin from the pigmented shells using hydrochloric acid method, and characterized the types of melanin pigments by spectrophotometry. The purified melanin, which was verified by spectrophotometry scanning and HPLC analysis, showed the typical characteristics of melanin absorption spectra and HPLC chromatograms. The contents of pheomelanin and eumelanin in pigmented shells, which were determined by the linear standard curve of melanin at 405 nm and 350 nm absorbance, were 48.23 ± 1.350 and 157.65 ± 5.905 mg, respectively. The present results indicate that the brown-pigmented shells of scallops comprise approximately 76.6% of eumelanin and 23.4% of pheomelanin, which supports the presence of eumelanin-rich pigment in scallop shells. Therefore, the combination of hydrochloric acid extraction and spectrophotometric quantification is a rapid and efficient method to isolate and quantify melanin in shells. This will facilitate the melanin studies related to shell color polymorphism and the selective breeding of bivalves with different shell colors.

Development of magnetic luminescent core/shell nanocomplex particles with fluorescence using Rhodamine 6G

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

Lee, Hee Uk; Song, Yoon Seok; Park, Chulhwan

2012-12-15

Graphical abstract: Display Omitted Highlights: ► A simple method was developed to synthesize Co-B/SiO{sub 2}/dye/SiO{sub 2} composite particles. ► The magnetic particle shows that highly luminescent and core/shell particles are formed. ► Such core/shell particles can be easily suspended in water. ► The magnetic particles could detect fluorescence for the application of biosensor. -- Abstract: A simple and reproducible method was developed to synthesize a novel class of Co-B/SiO{sub 2}/dye/SiO{sub 2} composite core/shell particles. Using a single cobalt core, Rhodamine 6G of organic dye molecules was entrapped in a silica shell, resulting in core/shell particles of ∼200 nm diameter. Analysesmore » using a variety of techniques such as transmission electron microscopy, X-ray photoelectron spectroscopy, vibration sample magnetometry, confocal laser scanning microscopy, and fluorescence intensity demonstrated that dye molecules were trapped inside the core/shell particles. A photoluminescence investigation showed that highly luminescent and photostable core/shell particles were formed. Such core/shell particles can be easily suspended in water. The synthesized magnetic particles could be used to detect fluorescence on glass substrate arrays for bioassay and biosensor applications.« less

An extension of the fenske-hall LCAO method for approximate calculations of inner-shell binding energies of molecules

NASA Astrophysics Data System (ADS)

Zwanziger, Ch.; Reinhold, J.

1980-02-01

The approximate LCAO MO method of Fenske and Hall has been extended to an all-election method allowing the calculation of inner-shell binding energies of molecules and their chemical shifts. Preliminary results are given.

Theoretical L-shell Coster-Kronig energies 11 or equal to z or equal to 103

NASA Technical Reports Server (NTRS)

Chen, M. H.; Crasemann, B.; Huang, K. N.; Aoyagi, M.; Mark, H.

1976-01-01

Relativistic relaxed-orbital calculations of L-shell Coster-Kronig transition energies have been performed for all possible transitions in atoms with atomic numbers. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order approximation to the local approximation was thus included. Quantum-electrodynamic corrections were made. Each transition energy was computed as the difference between results of separate self-consistent-field calculations for the initial, singly ionized state and the final two-hole state. The following quantities are listed: total transition energy, 'electric' (Dirac-Hartree-Fock-Slater) contribution, magnetic and retardation contributions, and contributions due to vacuum polarization and self energy.

On a third-order shear deformation theory for laminated composite shells

NASA Technical Reports Server (NTRS)

Liu, C. F.; Reddy, J. N.

1986-01-01

A higher-order theory based on an assumed displacement field in which the surface displacements are expanded in powers of the thickness coordinate up to the third order is presented. The theory allows parabolic description of the transverse shear stresses, and therefore the shear correction factors of the usual shear deformation theory are not required in the present theory. The theory also accounts for small strains but moderately large displacements (i.e., von Karman strains). A finite-element model based on independent approximations of the displacements and bending moments (i.e., mixed formulation) is developed. The element is used to analyze cross-ply and angle-ply laminated shells for bending.

Reheating of the Universe as holographic thermalization

NASA Astrophysics Data System (ADS)

Kawai, Shinsuke; Nakayama, Yu

2016-08-01

Assuming gauge/gravity correspondence we study reheating of the Universe using its holographic dual. Inflaton decay and thermalisation of the decay products correspond to collapse of a spherical shell and formation of a blackhole in the dual anti-de Sitter (AdS) spacetime. The reheating temperature is computed as the Hawking temperature of the developed blackhole probed by a dynamical boundary, and is determined by the inflaton energy density and the AdS radius, with corrections from the dynamics of the shell collapse. For given initial energy density of the inflaton field the holographic model typically gives lower reheating temperature than the instant reheating scenario, while it is shown to be safely within phenomenological bounds.

Systematics of first 2+ state g factors around mass 80

NASA Astrophysics Data System (ADS)

Mertzimekis, T. J.; Stuchbery, A. E.; Benczer-Koller, N.; Taylor, M. J.

2003-11-01

The systematics of the first 2+ state g factors in the mass 80 region are investigated in terms of an IBM-II analysis, a pairing-corrected geometrical model, and a shell-model approach. Subshell closure effects at N=38 and overall trends were examined using IBM-II. A large-space shell-model calculation was successful in describing the behavior for N=48 and N=50 nuclei, where single-particle features are prominent. A schematic truncated-space calculation was applied to the lighter isotopes. The variations of the effective boson g factors are discussed in connection with the role of F -spin breaking, and comparisons are made between the mass 80 and mass 180 regions.

A geometric nonlinear degenerated shell element using a mixed formulation with independently assumed strain fields. Final Report; Ph.D. Thesis, 1989

NASA Technical Reports Server (NTRS)

Graf, Wiley E.

1991-01-01

A mixed formulation is chosen to overcome deficiencies of the standard displacement-based shell model. Element development is traced from the incremental variational principle on through to the final set of equilibrium equations. Particular attention is paid to developing specific guidelines for selecting the optimal set of strain parameters. A discussion of constraint index concepts and their predictive capability related to locking is included. Performance characteristics of the elements are assessed in a wide variety of linear and nonlinear plate/shell problems. Despite limiting the study to geometric nonlinear analysis, a substantial amount of additional insight concerning the finite element modeling of thin plate/shell structures is provided. For example, in nonlinear analysis, given the same mesh and load step size, mixed elements converge in fewer iterations than equivalent displacement-based models. It is also demonstrated that, in mixed formulations, lower order elements are preferred. Additionally, meshes used to obtain accurate linear solutions do not necessarily converge to the correct nonlinear solution. Finally, a new form of locking was identified associated with employing elements designed for biaxial bending in uniaxial bending applications.

Role of shell diffusion area in incubating eggs at simulated high altitude.

PubMed

Weiss, H S

1978-10-01

Embryonic development is inhibited when eggs are incubated at 9,100 m (0.3 atm) despite a normoxic environment. The problem apparently relates to respiratory gas exchange occurring by diffusion through gas-filled pores in the shell. Gaseous flux is therefore inversely proportional to ambient pressure and is affected by the physical characteristics of the ambient gas (Chapman-Enskog equation). Excess loss of H2O and CO2 occurs in eggs incubating at altitude and could be detrimental. Such increased loss should be correctable by decreasing diffusion area. This was tested by progressively increasing coverage of the shell with paraffin and incubating at simulated 0.3 ATA (225 Torr) in 100% O2. Uncoated eggs failed to hatch, but numbers of chicks increased with increased coverage. Maximum hatch was an extrapolated 90% of controls at 69% shell coverage. With further coverage, hatch size decreased. Egg weight loss, and estimate of H2O diffusion, was around three times controls in uncoated eggs but decreased linearly with paraffin coverage, reaching near normal at maximum hatch. Reduction of diffusion area to 0.3 normal at maximum hatch generally balanced the increased flux predicted for 0.3 ATA.

Characterization of 3D Voronoi Tessellation Nearest Neighbor Lipid Shells Provides Atomistic Lipid Disruption Profile of Protein Containing Lipid Membranes

PubMed Central

Cheng, Sara Y.; Duong, Hai V.; Compton, Campbell; Vaughn, Mark W.; Nguyen, Hoa; Cheng, Kwan H.

2015-01-01

Quantifying protein-induced lipid disruptions at the atomistic level is a challenging problem in membrane biophysics. Here we propose a novel 3D Voronoi tessellation nearest-atom-neighbor shell method to classify and characterize lipid domains into discrete concentric lipid shells surrounding membrane proteins in structurally heterogeneous lipid membranes. This method needs only the coordinates of the system and is independent of force fields and simulation conditions. As a proof-of-principle, we use this multiple lipid shell method to analyze the lipid disruption profiles of three simulated membrane systems: phosphatidylcholine, phosphatidylcholine/cholesterol, and beta-amyloid/phosphatidylcholine/cholesterol. We observed different atomic volume disruption mechanisms due to cholesterol and beta-amyloid Additionally, several lipid fractional groups and lipid-interfacial water did not converge to their control values with increasing distance or shell order from the protein. This volume divergent behavior was confirmed by bilayer thickness and chain orientational order calculations. Our method can also be used to analyze high-resolution structural experimental data. PMID:25637891

Screening natural antioxidants in peanut shell using DPPH-HPLC-DAD-TOF/MS methods.

PubMed

Qiu, Jiying; Chen, Leilei; Zhu, Qingjun; Wang, Daijie; Wang, Wenliang; Sun, Xin; Liu, Xiaoyong; Du, Fangling

2012-12-15

Peanut shell, a byproduct in oil production, is rich in natural antioxidants. Here, a rapid and efficient method using DPPH-HPLC-DAD-TOF/MS was used for the first time to screen antioxidants in peanut shell. The method is based on the hypothesis that upon reaction with 1, 1-diphenyl-2-picrylhydrazyl (DPPH), the peak areas of compounds with potential antioxidant activities in the HPLC chromatogram will be significantly reduced or disappeared, and the identity confirmation could be achieved by HPLC-DAD-TOF/MS technique. With this method, three compounds possessing potential antioxidant activities were found abundantly in the methanolic extract of peanut shell. They were identified as 5,7-dihydroxychromone, eriodictyol, and luteolin. The contents of these compounds were 0.59, 0.92, and 2.36 mg/g, respectively, and luteolin possessed the strongest radical scavenging capacity. DPPH-HPLC-DAD-TOF/MS assay facilitated rapid identification and determination of natural antioxidants in peanut shell, which may be helpful for value-added utilization of peanut processing byproducts. Copyright © 2012 Elsevier Ltd. All rights reserved.

Fabrication of sub-micrometer-sized jingle bell-shaped hollow spheres from multilayered core-shell particles.

PubMed

Gu, Shunchao; Kondo, Tomohiro; Mine, Eiichi; Nagao, Daisuke; Kobayashi, Yoshio; Konno, Mikio

2004-11-01

Jingle bell-shaped hollow spheres were fabricated starting from multilayered particles composed of a silica core, a polystyrene inner shell, and a titania outer shell. Composite particles of silica core-polystyrene shell, synthesized by coating a 339-nm-sized silica core with a polystyrene shell of thickness 238 nm in emulsion polymerization, were used as core particles for a succeeding titania-coating. A sol-gel method was employed to form the titania outer shell with a thickness of 37 nm. The inner polystyrene shell in the multilayered particles was removed by immersing them in tetrahydrofuran. These successive procedures could produce jingle bell-shaped hollow spheres that contained a silica core in the titania shell.

Improved Accuracy of the Inherent Shrinkage Method for Fast and More Reliable Welding Distortion Calculations

NASA Astrophysics Data System (ADS)

Mendizabal, A.; González-Díaz, J. B.; San Sebastián, M.; Echeverría, A.

2016-07-01

This paper describes the implementation of a simple strategy adopted for the inherent shrinkage method (ISM) to predict welding-induced distortion. This strategy not only makes it possible for the ISM to reach accuracy levels similar to the detailed transient analysis method (considered the most reliable technique for calculating welding distortion) but also significantly reduces the time required for these types of calculations. This strategy is based on the sequential activation of welding blocks to account for welding direction and transient movement of the heat source. As a result, a significant improvement in distortion prediction is achieved. This is demonstrated by experimentally measuring and numerically analyzing distortions in two case studies: a vane segment subassembly of an aero-engine, represented with 3D-solid elements, and a car body component, represented with 3D-shell elements. The proposed strategy proves to be a good alternative for quickly estimating the correct behaviors of large welded components and may have important practical applications in the manufacturing industry.

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

Full-Color Biomimetic Photonic Materials with Iridescent and Non-Iridescent Structural Colors

PubMed Central

Kawamura, Ayaka; Kohri, Michinari; Morimoto, Gen; Nannichi, Yuri; Taniguchi, Tatsuo; Kishikawa, Keiki

2016-01-01

The beautiful structural colors in bird feathers are some of the brightest colors in nature, and some of these colors are created by arrays of melanin granules that act as both structural colors and scattering absorbers. Inspired by the color of bird feathers, high-visibility structural colors have been created by altering four variables: size, blackness, refractive index, and arrangement of the nano-elements. To control these four variables, we developed a facile method for the preparation of biomimetic core-shell particles with melanin-like polydopamine (PDA) shell layers. The size of the core-shell particles was controlled by adjusting the core polystyrene (PSt) particles’ diameter and the PDA shell thicknesses. The blackness and refractive index of the colloidal particles could be adjusted by controlling the thickness of the PDA shell. The arrangement of the particles was controlled by adjusting the surface roughness of the core-shell particles. This method enabled the production of both iridescent and non-iridescent structural colors from only one component. This simple and novel process of using core-shell particles containing PDA shell layers can be used in basic research on structural colors in nature and their practical applications. PMID:27658446

Full-Color Biomimetic Photonic Materials with Iridescent and Non-Iridescent Structural Colors.

PubMed

Kawamura, Ayaka; Kohri, Michinari; Morimoto, Gen; Nannichi, Yuri; Taniguchi, Tatsuo; Kishikawa, Keiki

2016-09-23

The beautiful structural colors in bird feathers are some of the brightest colors in nature, and some of these colors are created by arrays of melanin granules that act as both structural colors and scattering absorbers. Inspired by the color of bird feathers, high-visibility structural colors have been created by altering four variables: size, blackness, refractive index, and arrangement of the nano-elements. To control these four variables, we developed a facile method for the preparation of biomimetic core-shell particles with melanin-like polydopamine (PDA) shell layers. The size of the core-shell particles was controlled by adjusting the core polystyrene (PSt) particles' diameter and the PDA shell thicknesses. The blackness and refractive index of the colloidal particles could be adjusted by controlling the thickness of the PDA shell. The arrangement of the particles was controlled by adjusting the surface roughness of the core-shell particles. This method enabled the production of both iridescent and non-iridescent structural colors from only one component. This simple and novel process of using core-shell particles containing PDA shell layers can be used in basic research on structural colors in nature and their practical applications.

Custom-made foot orthoses: an analysis of prescription characteristics from an Australian commercial orthotic laboratory.

PubMed

Menz, Hylton B; Allan, Jamie J; Bonanno, Daniel R; Landorf, Karl B; Murley, George S

2017-01-01

Foot orthoses are widely used in the prevention and treatment of foot disorders. The aim of this study was to describe characteristics of custom-made foot orthosis prescriptions from a Australian podiatric orthotic laboratory. One thousand consecutive foot orthosis prescription forms were obtained from a commercial prescription foot orthosis laboratory located in Melbourne, Victoria, Australia (Footwork Podiatric Laboratory). Each item from the prescription form was documented in relation to orthosis type, cast correction, arch fill technique, cast modifications, shell material, shell modifications and cover material. Cluster analysis and discriminant function analysis were applied to identify patterns in the prescription data. Prescriptions were obtained from 178 clinical practices across Australia and Hong Kong, with patients ranging in age from 5 to 92 years. Three broad categories ('clusters') were observed that were indicative of increasing 'control' of rearfoot pronation. A combination of five variables (rearfoot cast correction, cover shape, orthosis type, forefoot cast correction and plantar fascial accommodation) was able to identify these clusters with an accuracy of 70%. Significant differences between clusters were observed in relation to age and sex of the patient and the geographic location of the prescribing clinician. Foot orthosis prescriptions are complex, but can be broadly classified into three categories. Selection of these prescription subtypes appears to be influenced by both patient factors (age and sex) and clinician factors (clinic location).

Obtaining the lattice energy of the anthracene crystal by modern yet affordable first-principles methods

NASA Astrophysics Data System (ADS)

Sancho-García, J. C.; Aragó, J.; Ortí, E.; Olivier, Y.

2013-05-01

The non-covalent interactions in organic molecules are known to drive their self-assembly to form molecular crystals. We compare, in the case of anthracene and against experimental (electronic-only) sublimation energy, how modern quantum-chemical methods are able to calculate this cohesive energy taking into account all the interactions between occurring dimers in both first-and second-shells. These include both O(N6)- and O(N5)-scaling methods, Local Pair Natural Orbital-parameterized Coupled-Cluster Single and Double, and Spin-Component-Scaled-Møller-Plesset perturbation theory at second-order, respectively, as well as the most modern family of conceived density functionals: double-hybrid expressions in several variants (B2-PLYP, mPW2-PLYP, PWPB95) with customized dispersion corrections (-D3 and -NL). All-in-all, it is shown that these methods behave very accurately producing errors in the 1-2 kJ/mol range with respect to the experimental value taken into account the experimental uncertainty. These methods are thus confirmed as excellent tools for studying all kinds of interactions in chemical systems.

Calculation methods study on hot spot stress of new girder structure detail

NASA Astrophysics Data System (ADS)

Liao, Ping; Zhao, Renda; Jia, Yi; Wei, Xing

2017-10-01

To study modeling calculation methods of new girder structure detail's hot spot stress, based on surface extrapolation method among hot spot stress method, a few finite element analysis models of this welded detail were established by finite element software ANSYS. The influence of element type, mesh density, different local modeling methods of the weld toe and extrapolation methods was analyzed on hot spot stress calculation results at the toe of welds. The results show that the difference of the normal stress in the thickness direction and the surface direction among different models is larger when the distance from the weld toe is smaller. When the distance from the toe is greater than 0.5t, the normal stress of solid models, shell models with welds and non-weld shell models tends to be consistent along the surface direction. Therefore, it is recommended that the extrapolated point should be selected outside the 0.5t for new girder welded detail. According to the results of the calculation and analysis, shell models have good grid stability, and extrapolated hot spot stress of solid models is smaller than that of shell models. So it is suggested that formula 2 and solid45 should be carried out during the hot spot stress extrapolation calculation of this welded detail. For each finite element model under different shell modeling methods, the results calculated by formula 2 are smaller than those of the other two methods, and the results of shell models with welds are the largest. Under the same local mesh density, the extrapolated hot spot stress decreases gradually with the increase of the number of layers in the thickness direction of the main plate, and the variation range is within 7.5%.

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.

Li + solvation and kinetics of Li +–BF 4 -/PF 6 - ion pairs in ethylene carbonate. A molecular dynamics study with classical rate theories

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

Chang, Tsun-Mei; Dang, Liem X.

Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine in this paper the ethylene carbonate (EC) exchange process between the first and second solvation shells around Li + and the dissociation kinetics of ion pairs Li +–[BF 4] and Li +–[PF 6] in this solvent. We calculate the exchange rates using transition state theory and correct them with transmission coefficients computed by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found that the residence times of EC around Li + ions varied from 60 to 450 ps, depending on themore » correction method used. We found that the relaxation times changed significantly from Li +–[BF 4] to Li +–[PF 6] ion pairs in EC. Finally, our results also show that, in addition to affecting the free energy of dissociation in EC, the anion type also significantly influences the dissociation kinetics of ion pairing.« less

Li + solvation and kinetics of Li +–BF 4 -/PF 6 - ion pairs in ethylene carbonate. A molecular dynamics study with classical rate theories

DOE PAGES

Chang, Tsun-Mei; Dang, Liem X.

2017-07-19

Using our polarizable force-field models and employing classical rate theories of chemical reactions, we examine in this paper the ethylene carbonate (EC) exchange process between the first and second solvation shells around Li + and the dissociation kinetics of ion pairs Li +–[BF 4] and Li +–[PF 6] in this solvent. We calculate the exchange rates using transition state theory and correct them with transmission coefficients computed by the reactive flux, Impey, Madden, and McDonald approaches, and Grote-Hynes theory. We found that the residence times of EC around Li + ions varied from 60 to 450 ps, depending on themore » correction method used. We found that the relaxation times changed significantly from Li +–[BF 4] to Li +–[PF 6] ion pairs in EC. Finally, our results also show that, in addition to affecting the free energy of dissociation in EC, the anion type also significantly influences the dissociation kinetics of ion pairing.« less

QM/MM free energy simulations: recent progress and challenges

PubMed Central

Lu, Xiya; Fang, Dong; Ito, Shingo; Okamoto, Yuko; Ovchinnikov, Victor

2016-01-01

Due to the higher computational cost relative to pure molecular mechanical (MM) simulations, hybrid quantum mechanical/molecular mechanical (QM/MM) free energy simulations particularly require a careful consideration of balancing computational cost and accuracy. Here we review several recent developments in free energy methods most relevant to QM/MM simulations and discuss several topics motivated by these developments using simple but informative examples that involve processes in water. For chemical reactions, we highlight the value of invoking enhanced sampling technique (e.g., replica-exchange) in umbrella sampling calculations and the value of including collective environmental variables (e.g., hydration level) in metadynamics simulations; we also illustrate the sensitivity of string calculations, especially free energy along the path, to various parameters in the computation. Alchemical free energy simulations with a specific thermodynamic cycle are used to probe the effect of including the first solvation shell into the QM region when computing solvation free energies. For cases where high-level QM/MM potential functions are needed, we analyze two different approaches: the QM/MM-MFEP method of Yang and co-workers and perturbative correction to low-level QM/MM free energy results. For the examples analyzed here, both approaches seem productive although care needs to be exercised when analyzing the perturbative corrections. PMID:27563170

Development of a gas-liquid chromatographic method for the analysis of fatty acid tryptamides in cocoa products.

PubMed

Hug, Bernadette; Golay, Pierre-Alain; Giuffrida, Francesca; Dionisi, Fabiola; Destaillats, Frédéric

2006-05-03

The determination of the occurrence and level of cocoa shells in cocoa products and chocolate is an important analytical issue. The recent European Union directive on cocoa and chocolate products (2000/36/EC) has not retained the former limit of a maximum amount of 5% of cocoa shells in cocoa nibs (based on fat-free dry matter), previously authorized for the elaboration of cocoa products such as cocoa mass. In the present study, we report a reliable gas-liquid chromatography procedure suitable for the determination of the occurrence of cocoa shells in cocoa products by detection of fatty acid tryptamides (FATs). The precision of the method was evaluated by analyzing nine different samples (cocoa liquors with different ranges of shells) six times (replicate repeatability). The variations of the robust coefficient of variation of the repeatability demonstrated that FAT(C22), FAT(C24), and total FATs are good markers for the detection of shells in cocoa products. The trueness of the method was evaluated by determining the FAT content in two spiked matrices (cocoa liquors and cocoa shells) at different levels (from 1 to 50 mg/100 g). A good relation was found between the results obtained and the spiking (recovery varied between 90 and 130%), and the linearity range was established between 1 and 50 mg/100 g in cocoa products. For total FAT contents of cocoa liquor containing 5% shells, the measurement uncertainty allows us to conclude that FAT is equal to 4.01 +/- 0.8 mg/100 g. This validated method is perfectly suitable to determine shell contents in cocoa products using FAT(C22), FAT(C24), and total FATs as markers. The results also confirmed that cocoa shells contain FAT(C24) and FAT(C22) in a constant ratio of nearly 2:1.

Effects of pretreatment methods for hazelnut shell hydrolysate fermentation with Pichia Stipitis to ethanol.

PubMed

Arslan, Yeşim; Eken-Saraçoğlu, Nurdan

2010-11-01

In this study, we investigated the use of hazelnut shell as a renewable and low cost lignocellulosic material for bioethanol production for the first time. High lignin content of hazelnut shell is an important obstacle for such a biotransformation. Biomass hydrolysis with acids yields reducing sugar with several inhibitors which limit the fermentability of sugars. The various conditioning methods for biomass and hydrolysate were performed to overcome the toxicity and their effects on the subsequent fermentation of hazelnut shell hydrolysate by Pichia stipitis were evaluated with shaking flasks experiments. Hazelnut shells hydrolysis with 0.7M H(2)SO(4) yielded 49 gl(-1) total reducing sugars and fermentation inhibitors in untreated hydrolysate. First, it was shown that several hydrolysate detoxification methods were solely inefficient in achieving cell growth and ethanol production in the fermentation of hazelnut shell hydrolysates derived from non-delignified biomass. Next, different pretreatments of hazelnut shells were considered for delignification and employed before hydrolysis in conjunction with hydrolysate detoxification to improve alcohol fermentation. Among six delignification methods, the most effective pretreatment regarding to ethanol concentration includes the treatment of shells with 3% (w/v) NaOH at room temperature, which was integrated with sequential hydrolysate detoxification by overliming and then treatment with charcoal twice at 60 degrees C. This treatment brought about a total reduction of 97% in furans and 88.4% in phenolics. Almost all trialed treatments caused significant sugar loss. Under the best assayed conditions, ethanol concentration of 16.79gl(-1) was reached from a hazelnut shell hyrolysate containing initial 50g total reducing sugar l(-1) after partial synthetic xylose supplementation. This value is equal to 91.25% of ethanol concentration that was obtained from synthetic d-xylose under same conditions. The present study demonstrates that Pichia stipitis is able to grow and ferment sugars to ethanol in detoxified hazelnut hydrolysate derived from delignified biomass.

Differential Deposition to Correct Surface Figure Deviations in Astronomical Grazing-Incidence X-Ray Optics

NASA Technical Reports Server (NTRS)

Kilaru, Kiranmayee; Ramsey, Brian D.; Gubarev, Mikhail V.

2011-01-01

A coating technique is being developed to correct the surface figure deviations in reflective-grazing-incidence X-ray optics. These optics are typically designed to have precise conic profiles, and any deviation in this profile, as a result of fabrication, results in a degradation of the imaging performance. To correct the mirror profiles, physical vapor deposition has been utilized to selectively deposit a filler material inside the mirror shell. The technique, termed differential deposition, has been implemented as a proof of concept on miniature X-ray optics developed at MSFC for medical-imaging applications. The technique is now being transferred to larger grazing-incidence optics suitable for astronomy and progress to date is reported.

Prehistoric cooking versus accurate palaeotemperature records in shell midden constituents.

PubMed

Müller, Peter; Staudigel, Philip T; Murray, Sean T; Vernet, Robert; Barusseau, Jean-Paul; Westphal, Hildegard; Swart, Peter K

2017-06-15

The reconstruction of pre-depositional cooking treatments used by prehistoric coastal populations for processing aquatic faunal resources is often difficult in archaeological shell midden assemblages. Besides limiting our knowledge of various social, cultural, economic and technological aspects of shell midden formation, unknown pre-depositional cooking techniques can also introduce large errors in palaeoclimate reconstructions as they can considerably alter the geochemical proxy signatures in calcareous skeletal structures such as bivalve shells or fish otoliths. Based on experimental and archaeological data, we show that carbonate clumped-isotope thermometry can be used to detect and reconstruct prehistoric processing methods in skeletal aragonite from archaeological shell midden assemblages. Given the temperature-dependent re-equilibration of clumped isotopes in aragonitic carbonates, this allows specific processing, cooking or trash dispersal strategies such as boiling, roasting, or burning to be differentiated. Besides permitting the detailed reconstruction of cultural or technological aspects of shell midden formation, this also allows erroneous palaeoclimate reconstructions to be avoided as all aragonitic shells subjected to pre-historic cooking methods show a clear alteration of their initial oxygen isotopic composition.

Finding the Optimal Nets for Self-Folding Kirigami

NASA Astrophysics Data System (ADS)

Araújo, N. A. M.; da Costa, R. A.; Dorogovtsev, S. N.; Mendes, J. F. F.

2018-05-01

Three-dimensional shells can be synthesized from the spontaneous self-folding of two-dimensional templates of interconnected panels, called nets. However, some nets are more likely to self-fold into the desired shell under random movements. The optimal nets are the ones that maximize the number of vertex connections, i.e., vertices that have only two of its faces cut away from each other in the net. Previous methods for finding such nets are based on random search, and thus, they do not guarantee the optimal solution. Here, we propose a deterministic procedure. We map the connectivity of the shell into a shell graph, where the nodes and links of the graph represent the vertices and edges of the shell, respectively. Identifying the nets that maximize the number of vertex connections corresponds to finding the set of maximum leaf spanning trees of the shell graph. This method allows us not only to design the self-assembly of much larger shell structures but also to apply additional design criteria, as a complete catalog of the maximum leaf spanning trees is obtained.

Controlled Synthesis of Pd/Pt Core Shell Nanoparticles Using Area-selective Atomic Layer Deposition

PubMed Central

Cao, Kun; Zhu, Qianqian; Shan, Bin; Chen, Rong

2015-01-01

We report an atomic scale controllable synthesis of Pd/Pt core shell nanoparticles (NPs) via area-selective atomic layer deposition (ALD) on a modified surface. The method involves utilizing octadecyltrichlorosilane (ODTS) self-assembled monolayers (SAMs) to modify the surface. Take the usage of pinholes on SAMs as active sites for the initial core nucleation, and subsequent selective deposition of the second metal as the shell layer. Since new nucleation sites can be effectively blocked by surface ODTS SAMs in the second deposition stage, we demonstrate the successful growth of Pd/Pt and Pt/Pd NPs with uniform core shell structures and narrow size distribution. The size, shell thickness and composition of the NPs can be controlled precisely by varying the ALD cycles. Such core shell structures can be realized by using regular ALD recipes without special adjustment. This SAMs assisted area-selective ALD method of core shell structure fabrication greatly expands the applicability of ALD in fabricating novel structures and can be readily applied to the growth of NPs with other compositions. PMID:25683469

Enzymatic production of N-acetyl-d-glucosamine from crayfish shell wastes pretreated via high pressure homogenization.

PubMed

Wei, Guoguang; Zhang, Alei; Chen, Kequan; Ouyang, Pingkai

2017-09-01

This study presents an efficient pretreatment of crayfish shell using high pressure homogenization that enables N-acetyl-d-glucosamine (GlcNAc) production by chitinase. Firstly, the chitinase from Serratia proteamaculans NJ303 was screened for its ability to degrade crayfish shell and produce GlcNAc as the sole product. Secondly, high pressure homogenization, which caused the crayfish shell to adopt a fluffy netted structure that was characterized by Scanning electron microscope (SEM), Fourier transform infrared spectrometer (FT-IR), X-ray diffraction (XRD), was evaluated as the best pretreatment method. In addition, the optimal conditions of high pressure homogenization of crayfish shell were determined to be five cycles at a pressure of 400bar, which achieved a yield of 3.9g/L of GlcNAc from 25g/L of crayfish shell in a batch enzymatic reaction over 1.5h. The results showed high pressure homogenization might be an efficient method for direct utilization of crayfish shell for enzymatic production of GlcNAc. Copyright © 2017 Elsevier Ltd. All rights reserved.

Shell Biorefinery: Dream or Reality?

PubMed

Chen, Xi; Yang, Huiying; Yan, Ning

2016-09-12

Shell biorefinery, referring to the fractionation of crustacean shells into their major components and the transformation of each component into value-added chemicals and materials, has attracted growing attention in recent years. Since the large quantities of waste shells remain underexploited, their valorization can potentially bring both ecological and economic benefits. This Review provides an overview of the current status of shell biorefinery. It first describes the structural features of crustacean shells, including their composition and their interactions. Then, various fractionation methods for the shells are introduced. The last section is dedicated to the valorization of chitin and its derivatives for chemicals, porous carbon materials and functional polymers. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nanoscale zero-valent iron (nZVI): aspects of the core-shell structure and reactions with inorganic species in water.

PubMed

Yan, Weile; Herzing, Andrew A; Kiely, Christopher J; Zhang, Wei-Xian

2010-11-25

Aspects of the core-shell model of nanoscale zero-valent iron (nZVI) and their environmental implications were examined in this work. The structure and elemental distribution of nZVI were characterized by X-ray energy-dispersive spectroscopy (XEDS) with nanometer-scale spatial resolution in an aberration-corrected scanning transmission electron microscope (STEM). The analysis provides unequivocal evidence of a layered structure of nZVI consisting of a metallic iron core encapsulated by a thin amorphous oxide shell. Three aqueous environmental contaminants, namely Hg(II), Zn(II) and hydrogen sulfide, were studied to probe the reactive properties and the surface chemistry of nZVI. High-resolution X-ray photoelectron spectroscopy (HR-XPS) analysis of the reacted particles indicated that Hg(II) was sequestrated via chemical reduction to elemental mercury. On the other hand, Zn(II) removal was achieved via sorption to the iron oxide shell followed by zinc hydroxide precipitation. Hydrogen sulfide was immobilized on the nZVI surface as disulfide (S(2)(2-)) and monosulfide (S(2-)) species. Their relative abundance in the final products suggests that the retention of hydrogen sulfide occurs via reactions with the oxide shell to form iron sulfide (FeS) and subsequent conversion to iron disulfide (FeS(2)). The results presented herein highlight the multiple reactive pathways permissible with nZVI owing to its two functional constituents. The core-shell structure imparts nZVI with manifold functional properties previously unexamined and grants the material with potentially new applications. Copyright © 2010 Elsevier B.V. All rights reserved.

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.

PMMA/PS coaxial electrospinning: a statistical analysis on processing parameters

NASA Astrophysics Data System (ADS)

Rahmani, Shahrzad; Arefazar, Ahmad; Latifi, Masoud

2017-08-01

Coaxial electrospinning, as a versatile method for producing core-shell fibers, is known to be very sensitive to two classes of influential factors including material and processing parameters. Although coaxial electrospinning has been the focus of many studies, the effects of processing parameters on the outcomes of this method have not yet been well investigated. A good knowledge of the impacts of processing parameters and their interactions on coaxial electrospinning can make it possible to better control and optimize this process. Hence, in this study, the statistical technique of response surface method (RSM) using the design of experiments on four processing factors of voltage, distance, core and shell flow rates was applied. Transmission electron microscopy (TEM), scanning electron microscopy (SEM), oil immersion and Fluorescent microscopy were used to characterize fiber morphology. The core and shell diameters of fibers were measured and the effects of all factors and their interactions were discussed. Two polynomial models with acceptable R-squares were proposed to describe the core and shell diameters as functions of the processing parameters. Voltage and distance were recognized as the most significant and influential factors on shell diameter, while core diameter was mainly under the influence of core and shell flow rates besides the voltage.

Vibration isolation design for periodically stiffened shells by the wave finite element method

NASA Astrophysics Data System (ADS)

Hong, Jie; He, Xueqing; Zhang, Dayi; Zhang, Bing; Ma, Yanhong

2018-04-01

Periodically stiffened shell structures are widely used due to their excellent specific strength, in particular for aeronautical and astronautical components. This paper presents an improved Wave Finite Element Method (FEM) that can be employed to predict the band-gap characteristics of stiffened shell structures efficiently. An aero-engine casing, which is a typical periodically stiffened shell structure, was employed to verify the validation and efficiency of the Wave FEM. Good agreement has been found between the Wave FEM and the classical FEM for different boundary conditions. One effective wave selection method based on the Wave FEM has thus been put forward to filter the radial modes of a shell structure. Furthermore, an optimisation strategy by the combination of the Wave FEM and genetic algorithm was presented for periodically stiffened shell structures. The optimal out-of-plane band gap and the mass of the whole structure can be achieved by the optimisation strategy under an aerodynamic load. Results also indicate that geometric parameters of stiffeners can be properly selected that the out-of-plane vibration attenuates significantly in the frequency band of interest. This study can provide valuable references for designing the band gaps of vibration isolation.

Quantum fluctuating geometries and the information paradox

NASA Astrophysics Data System (ADS)

Eyheralde, Rodrigo; Campiglia, Miguel; Gambini, Rodolfo; Pullin, Jorge

2017-12-01

We study Hawking radiation on the quantum space-time of a collapsing null shell. We use the geometric optics approximation as in Hawking’s original papers to treat the radiation. The quantum space-time is constructed by superposing the classical geometries associated with collapsing shells with uncertainty in their position and mass. We show that there are departures from thermality in the radiation even though we are not considering a back reaction. One recovers the usual profile for the Hawking radiation as a function of frequency in the limit where the space-time is classical. However, when quantum corrections are taken into account, the profile of the Hawking radiation as a function of time contains information about the initial state of the collapsing shell. More work will be needed to determine whether all the information can be recovered. The calculations show that non-trivial quantum effects can occur in regions of low curvature when horizons are involved, as is proposed in the firewall scenario, for instance.

Thick shell tectonics on one-plate planets - Applications to Mars

NASA Technical Reports Server (NTRS)

Banerdt, W. B.; Saunders, R. S.; Phillips, R. J.; Sleep, N. H.

1982-01-01

Using the zero frequency equations of a self-gravitating elastic spherical shell overlying a strengthless fluid, a theory for stress distribution in thick lithospheric shells on one-plate planets is developed. For both the compensated and flexural modes, stress distributions in lithospheres are reviewed. For compensated modes, surface stresses depend only on surface topography, whereas for flexural modes it is shown that, for long wavelengths, stress trajectories are mainly dependent on the lithospheric lateral density distribution and not on elastic properties. Computational analyses are performed for Mars, and it is found that isostatically compensated models correctly predict the graben structure in the immediate Tharsis region and a flexural loading model is satisfactory in explaining the graben in the regions surrounding Tharsis. A three-stage model for the evolution of Tharsis is hypothesized: isostasy with north-south graben formation on Tharsis, followed by flexural loading and radial graben formation on the perimeter of Tharsis, followed by a last stage of loading with little or no regional deformation.

Two aspects of black hole entropy in Lanczos-Lovelock models of gravity

NASA Astrophysics Data System (ADS)

Kolekar, Sanved; Kothawala, Dawood; Padmanabhan, T.

2012-03-01

We consider two specific approaches to evaluate the black hole entropy which are known to produce correct results in the case of Einstein’s theory and generalize them to Lanczos-Lovelock models. In the first approach (which could be called extrinsic), we use a procedure motivated by earlier work by Pretorius, Vollick, and Israel, and by Oppenheim, and evaluate the entropy of a configuration of densely packed gravitating shells on the verge of forming a black hole in Lanczos-Lovelock theories of gravity. We find that this matter entropy is not equal to (it is less than) Wald entropy, except in the case of Einstein theory, where they are equal. The matter entropy is proportional to the Wald entropy if we consider a specific mth-order Lanczos-Lovelock model, with the proportionality constant depending on the spacetime dimensions D and the order m of the Lanczos-Lovelock theory as (D-2m)/(D-2). Since the proportionality constant depends on m, the proportionality between matter entropy and Wald entropy breaks down when we consider a sum of Lanczos-Lovelock actions involving different m. In the second approach (which could be called intrinsic), we generalize a procedure, previously introduced by Padmanabhan in the context of general relativity, to study off-shell entropy of a class of metrics with horizon using a path integral method. We consider the Euclidean action of Lanczos-Lovelock models for a class of metrics off shell and interpret it as a partition function. We show that in the case of spherically symmetric metrics, one can interpret the Euclidean action as the free energy and read off both the entropy and energy of a black hole spacetime. Surprisingly enough, this leads to exactly the Wald entropy and the energy of the spacetime in Lanczos-Lovelock models obtained by other methods. We comment on possible implications of the result.

Low temperature grown ZnO@TiO{sub 2} core shell nanorod arrays for dye sensitized solar cell application

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

Goh, Gregory Kia Liang; Le, Hong Quang, E-mail: lehq@imre.a-star.edu.sg; Huang, Tang Jiao

High aspect ratio ZnO nanorod arrays were synthesized on fluorine-doped tin oxide glasses via a low temperature solution method. By adjusting the growth condition and adding polyethylenimine, ZnO nanorod arrays with tunable length were successfully achieved. The ZnO@TiO{sub 2} core shells structures were realized by a fast growth method of immersion into a (NH{sub 4}){sub 2}·TiF{sub 6} solution. Transmission electron microscopy, X-ray Diffraction and energy dispersive X-ray measurements all confirmed the existence of a titania shell uniformly covering the ZnO nanorod's surface. Results of solar cell testing showed that addition of a TiO{sub 2} shell to the ZnO nanorod significantlymore » increased short circuit current (from 4.2 to 5.2 mA/cm{sup 2}), open circuit voltage (from 0.6 V to 0.8 V) and fill factor (from 42.8% to 73.02%). The overall cell efficiency jumped from 1.1% for bare ZnO nanorod to 3.03% for a ZnO@TiO{sub 2} core shell structured solar cell with a 18–22 nm shell thickness, a nearly threefold increase. - Graphical abstract: The synthesis process of coating TiO{sub 2} shell onto ZnO nanorod core is shown schematically. A thin, uniform, and conformal shell had been grown on the surface of the ZnO core after immersing in the (NH{sub 4}){sub 2}·TiF{sub 6} solution for 5–15 min. - Highlights: • ZnO@TiO{sub 2} core shell nanorod has been grown on FTO substrate using low temperature solution method. • TEM, XRD, EDX results confirmed the existing of titana shell, uniformly covered rod's surface. • TiO{sub 2} shell suppressed recombination, demonstrated significant enhancement in cell's efficiency. • Core shell DSSC's efficiency achieved as high as 3.03%, 3 times higher than that of ZnO nanorods.« less

The geometry of protein hydration

NASA Astrophysics Data System (ADS)

Persson, Filip; Söderhjelm, Pär; Halle, Bertil

2018-06-01

Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with three different water models, we examine several, essentially geometrical, aspects of the protein-water interface that remain controversial or incompletely understood. First, we compare different hydration shell definitions, based on spatial or topological proximity criteria. We find that the best method for constructing monolayer shells with nearly complete coverage is to use a 5 Å water-carbon cutoff and a 4 Å water-water cutoff. Using this method, we determine a mean interfacial water area of 11.1 Å2 which appears to be a universal property of the protein-water interface. We then analyze the local coordination and packing density of water molecules in the hydration shells and in subsets of the first shell. The mean polar water coordination number in the first shell remains within 1% of the bulk-water value, and it is 5% lower in the nonpolar part of the first shell. The local packing density is obtained from additively weighted Voronoi tessellation, arguably the most physically realistic method for allocating space between protein and water. We find that water in all parts of the first hydration shell, including the nonpolar part, is more densely packed than in the bulk, with a shell-averaged density excess of 6% for all four proteins. We suggest reasons why this value differs from previous experimental and computational results, emphasizing the importance of a realistic placement of the protein-water dividing surface and the distinction between spatial correlation and packing density. The protein-induced perturbation of water coordination and packing density is found to be short-ranged, with an exponential decay "length" of 0.6 shells. We also compute the protein partial volume, analyze its decomposition, and argue against the relevance of electrostriction.

Fabrication of Ni@Ti core-shell nanoparticles by modified gas aggregation source

NASA Astrophysics Data System (ADS)

Hanuš, J.; Vaidulych, M.; Kylián, O.; Choukourov, A.; Kousal, J.; Khalakhan, I.; Cieslar, M.; Solař, P.; Biederman, H.

2017-11-01

Ni@Ti core-shell nanoparticles were prepared by a vacuum based method using the gas aggregation source (GAS) of nanoparticles. Ni nanoparticles fabricated in the GAS were afterwards coated by a Ti shell. The Ti shell was deposited by means of magnetron sputtering. The Ni nanoparticles were decelerated in the vicinity of the magnetron to the Ar drift velocity in the second deposition chamber. X-ray photoelectron spectroscopy and energy dispersive x-ray spectroscopy analysis of the nanoparticles showed the core-shell structure. It was shown that the thickness of the shell can be easily tuned by the process parameters with a maximum achieved thickness of the Ti shell ~2.5 nm. The core-shell structure was confirmed by the STEM analysis of the particles.

Improving X-Ray Optics via Differential Deposition

NASA Technical Reports Server (NTRS)

Kilaru, Kiranmayee; Ramsey, Brian D.; Atkins, Carolyn

2017-01-01

Differential deposition, a post-fabrication figure correction technique, has the potential to significantly improve the imaging quality of grazing-incidence X-ray optics. DC magnetron sputtering is used to selectively coat the mirror in order to minimize the figure deviations. Custom vacuum chambers have been developed at NASA MSFC that will enable the implementation of the deposition on X-ray optics. A factor of two improvement has been achieved in the angular resolution of the full-shell X-ray optics with first stage correction of differential deposition. Current efforts are focused on achieving higher improvements through efficient implementation of differential deposition.

Microwave moisture meter for in-shell almonds.

USDA-ARS?s Scientific Manuscript database

Determining almond kernel moisture content while still in the shell is important for both almond growers and processors. A dielectric method was developed for almond kernel moisture determination from dielectric measurements on in-shell almonds at a single microwave frequency. A sample holder was fi...

Thermogravimetric characteristics and kinetics of scrap tyre and Juglans regia shell co-pyrolysis.

PubMed

Uzun, B B; Yaman, E

2014-10-01

The degradation kinetics of Juglans regia shell, scrap tyre and their blends were investigated using a thermogravimetric analysis method. Experiments were performed under dynamic conditions and a nitrogen atmosphere in the range 293 to 973 K at different heating rates. During pyrolysis of J. regia shell three mass loss zones were specified as removal of water, decomposition of hemicelluloses and cellulose, and decomposition of lignin. The degradation curves of scrap tyre showed merely one stage which was due to decomposition of styrene butadiene rubber. The kinetic parameters were calculated using both Arrhenius and Coats-Redfern methods. By adopting the Arrhenius method, the average value of activation energies of J. regia shell, scrap tyre and their 1 : 1 blends were found to be 69.22, 71.48 and 47.03 kJ mol(-1), respectively. Additionally, by using the Coats-Redfern method, the average value of activation energies of J. regia shell, scrap tyre and their 1 : 1 blend were determined as 99.85, 78.72 and 63.81 kJ mol(-1), respectively. The addition of J. regia shell to scrap tyre caused a reduction in the activation energies. The difference of weight loss was measured to examine interactions between raw materials. The maximum difference between experimental and theoretical mass loss was 5% at about 648 K with a heating rate of 20 K min(-1). These results indicated a significant synergistic effect was available during co-pyrolysis of J. regia shell and scrap tyre in the high temperature region. © The Author(s) 2014.

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.

Method of altering the effective bulk density of solid material and the resulting product

DOEpatents

Kool, Lawrence B.; Nolen, Robert L.; Solomon, David E.

1983-01-01

A method of adjustably tailoring the effective bulk density of a solid material in which a mixture comprising the solid material, a film-forming polymer and a volatile solvent are sprayed into a drying chamber such that the solvent evaporates and the polymer dries into hollow shells having the solid material captured within the shell walls. Shell density may be varied as a function of solid/polymer concentration, droplet size and drying temperature.

Space-Time Fluid-Structure Interaction Computation of Flapping-Wing Aerodynamics

DTIC Science & Technology

2013-12-01

SST-VMST." The structural mechanics computations are based on the Kirchhoff -Love shell model. We use a sequential coupling technique, which is...mechanics computations are based on the Kirchhoff -Love shell model. We use a sequential coupling technique, which is ap- plicable to some classes of FSI...we use the ST-VMS method in combination with the ST-SUPS method. The structural mechanics computations are mostly based on the Kirchhoff –Love shell

Progress Toward Fabrication of Machined Metal Shells for the First Double-Shell Implosions at the National Ignition Facility

DOE PAGES

Cardenas, Tana; Schmidt, Derek W.; Loomis, Eric N.; ...

2018-01-25

The double-shell platform fielded at the National Ignition Facility requires developments in new machining techniques and robotic assembly stations to meet the experimental specifications. Current double-shell target designs use a dense high-Z inner shell, a foam cushion, and a low-Z outer shell. The design requires that the inner shell be gas filled using a fill tube. This tube impacts the entire machining and assembly design. Other intermediate physics designs have to be fielded to answer physics questions and advance the technology to be able to fabricate the full point design in the near future. One of these intermediate designs ismore » a mid-Z imaging design. The methods of designing, fabricating, and characterizing each of the major components of an imaging double shell are discussed with an emphasis on the fabrication of the machined outer metal shell.« less

Progress Toward Fabrication of Machined Metal Shells for the First Double-Shell Implosions at the National Ignition Facility

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

Cardenas, Tana; Schmidt, Derek W.; Loomis, Eric N.

The double-shell platform fielded at the National Ignition Facility requires developments in new machining techniques and robotic assembly stations to meet the experimental specifications. Current double-shell target designs use a dense high-Z inner shell, a foam cushion, and a low-Z outer shell. The design requires that the inner shell be gas filled using a fill tube. This tube impacts the entire machining and assembly design. Other intermediate physics designs have to be fielded to answer physics questions and advance the technology to be able to fabricate the full point design in the near future. One of these intermediate designs ismore » a mid-Z imaging design. The methods of designing, fabricating, and characterizing each of the major components of an imaging double shell are discussed with an emphasis on the fabrication of the machined outer metal shell.« less

Crustal Thickness Mapping of the Rifted Margin Ocean-Continent Transition using Satellite Gravity Inversion Incorporating a Lithosphere Thermal Correction

NASA Astrophysics Data System (ADS)

Hurst, N. W.; Kusznir, N. J.

2005-05-01

A new method of inverting satellite gravity at rifted continental margins to give crustal thickness, incorporating a lithosphere thermal correction, has been developed which does not use a priori information about the location of the ocean-continent transition (OCT) and provides an independent prediction of OCT location. Satellite derived gravity anomaly data (Sandwell and Smith 1997) and bathymetry data (Gebco 2003) are used to derive the mantle residual gravity anomaly which is inverted in 3D in the spectral domain to give Moho depth. Oceanic lithosphere and stretched continental margin lithosphere produce a large negative residual thermal gravity anomaly (up to -380 mgal), which must be corrected for in order to determine Moho depth. This thermal gravity correction may be determined for oceanic lithosphere using oceanic isochron data, and for the thinned continental margin lithosphere using margin rift age and beta stretching estimates iteratively derived from crustal basement thickness determined from the gravity inversion. The gravity inversion using the thermal gravity correction predicts oceanic crustal thicknesses consistent with seismic observations, while that without the thermal correction predicts much too great oceanic crustal thicknesses. Predicted Moho depth and crustal thinning across the Hatton and Faroes rifted margins, using the gravity inversion with embedded thermal correction, compare well with those produced by wide-angle seismology. A new gravity inversion method has been developed in which no isochrons are used to define the thermal gravity correction. The new method assumes all lithosphere to be initially continental and a uniform lithosphere stretching age is used corresponding to the time of continental breakup. The thinning factor produced by the gravity inversion is used to predict the thickness of oceanic crust. This new modified form of gravity inversion with embedded thermal correction provides an improved estimate of rifted continental margin crustal thinning and an improved (and isochron independent) prediction of OCT location. The new method uses an empirical relationship to predict the thickness of oceanic crust as a function of lithosphere thinning factor controlled by two input parameters: a critical thinning factor for the start of ocean crust production and the maximum oceanic crustal thickness produced when the thinning factor = 1, corresponding to infinite lithosphere stretching. The disadvantage of using a uniform stretching age corresponding to the age of continental breakup is that the inversion fails to predict increasing thermal gravity correction towards the ocean ridge and incorrectly predicts thickening of oceanic crust with decreasing oceanic age. The new gravity inversion method has been applied to N. Atlantic rifted margins. This work forms part of the NERC Margins iSIMM project. iSIMM investigators are from Liverpool and Cambridge Universities, Badley Geoscience & Schlumberger Cambridge Research supported by the NERC, the DTI, Agip UK, BP, Amerada Hess Ltd, Anadarko, ConocoPhillips, Shell, Statoil and WesternGeco. The iSIMM team comprises NJ Kusznir, RS White, AM Roberts, PAF Christie, A Chappell, J Eccles, R Fletcher, D Healy, N Hurst, ZC Lunnon, CJ Parkin, AW Roberts, LK Smith, V Tymms & R Spitzer.

The microstructure and magnetic properties of Cu/CuO/Ni core/multi-shell nanowire arrays

NASA Astrophysics Data System (ADS)

Yang, Feng; Shi, Jie; Zhang, Xiaofeng; Hao, Shijie; Liu, Yinong; Feng, Chun; Cui, Lishan

2018-04-01

Multifunctional metal/oxide/metal core/multi-shell nanowire arrays were prepared mostly by physical or chemical vapor deposition. In our study, the Cu/CuO/Ni core/multi-shell nanowire arrays were prepared by AAO template-electrodeposition and oxidation processes. The Cu/Ni core/shell nanowire arrays were prepared by AAO template-electrodeposition method. The microstructure and chemical compositions of the core/multi-shell nanowires and core/shell nanowires have been characterized using transmission electron microscopy with HADDF-STEM and X-ray diffraction. Magnetization measurements revealed that the Cu/CuO/Ni and Cu/Ni nanowire arrays have high coercivity and remanence ratio.

Single-step generation of metal-plasma polymer multicore@shell nanoparticles from the gas phase.

PubMed

Solař, Pavel; Polonskyi, Oleksandr; Olbricht, Ansgar; Hinz, Alexander; Shelemin, Artem; Kylián, Ondřej; Choukourov, Andrei; Faupel, Franz; Biederman, Hynek

2017-08-17

Nanoparticles composed of multiple silver cores and a plasma polymer shell (multicore@shell) were prepared in a single step with a gas aggregation cluster source operating with Ar/hexamethyldisiloxane mixtures and optionally oxygen. The size distribution of the metal inclusions as well as the chemical composition and the thickness of the shells were found to be controlled by the composition of the working gas mixture. Shell matrices ranging from organosilicon plasma polymer to nearly stoichiometric SiO 2 were obtained. The method allows facile fabrication of multicore@shell nanoparticles with tailored functional properties, as demonstrated here with the optical response.

Combination of rice husk and coconut shell activated adsorbent to adsorb Pb(II) ionic metal and it’s analysis using solid-phase spectrophotometry (sps)

NASA Astrophysics Data System (ADS)

Rohmah, D. N.; Saputro, S.; Masykuri, M.; Mahardiani, L.

2018-03-01

The purpose of this research was to know the effect and determine the mass comparation which most effective combination between rice husk and coconut shell activated adsorbent to adsorb Pb (II) ion using SPS method. This research used experimental method. Technique to collecting this datas of this research is carried out by several stages, which are: (1) carbonization of rice husk and coconut shell adsorbent using muffle furnace at a temperature of 350°C for an hour; (2) activation of the rice husk and coconut shell adsorbent using NaOH 1N and ZnCl2 15% activator; (3) contacting the adsorbent of rice husk and coconut shell activated adsorbent with liquid waste simulation of Pb(II) using variation comparison of rice husk and coconut shell, 1:0; 0:1; 1:1; 2:1; 1:2; (4) analysis of Pb(II) using Solid-Phase Spectrophotometry (SPS); (5) characterization of combination rice husk and coconut shell activated adsorbent using FTIR. The result of this research show that the combined effect of combination rice husk and coconut shell activated adsorbent can increase the ability of the adsorbent to absorb Pb(II) ion then the optimum adsorbent mass ratio required for absorbing 20 mL of Pb(II) ion with a concentration of 49.99 µg/L is a ratio of 2:1 with the absorption level of 97,06%Solid-Phase Spectrophotometry (SPS) is an effective method in the level of µg/L, be marked with the Limit of Detection (LOD) of 0.03 µg/L.

Core-shell structure of Miglyol/poly(D,L-lactide)/Poloxamer nanocapsules studied by small-angle neutron scattering.

PubMed

Rübe, Andrea; Hause, Gerd; Mäder, Karsten; Kohlbrecher, Joachim

2005-10-03

The contrast variation technique in small angle neutron scattering (SANS) was used to investigate the inner structure of nanocapsules on the example of poly(D,L-lactide) (PLA) nanocapsules. The determination of the PLA and Poloxamer shell thickness was the focus of this study. Highest sensitivity on the inner structure of the nanocapsules was obtained when the scattering length density of the solvent was varied between the one of the Miglyol core and the PLA shell. According to the fit data the PLA shell thickness was 9.8 nm. The z-averaged radius determined by SANS experiments correlated well with dynamic light scattering (DLS) results, although DLS values were systematically slightly higher than the ones measured by SANS. This could be explained by taking into account the influence of Poloxamer attached to the nanocapsules surface. For a refined fit model with a second shell consisting of Poloxamer, SANS values and DLS values fitted well with each other. The characterization method presented here is significant because detailed insights into the nanocapsule and the Poloxamer shell were gained for the first time. This method could be used to develop strategies for the optimization of the shell properties concerning controlled release and to study changes in the shell structure during degradation processes.

Seed-Surface Grafting Precipitation Polymerization for Preparing Microsized Optically Active Helical Polymer Core/Shell Particles and Their Application in Enantioselective Crystallization.

PubMed

Zhao, Biao; Lin, Jiangfeng; Deng, Jianping; Liu, Dong

2018-05-14

Core/shell particles constructed by polymer shell and silica core have constituted a significant category of advanced functional materials. However, constructing microsized optically active helical polymer core/shell particles still remains as a big academic challenge due to the lack of effective and universal preparation methods. In this study, a seed-surface grafting precipitation polymerization (SSGPP) strategy is developed for preparing microsized core/shell particles with SiO 2 as core on which helically substituted polyacetylene is covalently bonded as shell. The resulting core/shell particles exhibit fascinating optical activity and efficiently induce enantioselective crystallization of racemic threonine. Taking advantage of the preparation strategy, novel achiral polymeric and hybrid core/shell particles are also expected. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Green synthesis and characterization of size tunable silica-capped gold core-shell nanoparticles

NASA Astrophysics Data System (ADS)

Wangoo, Nishima; Shekhawat, Gajendra; Wu, Jin-Song; Bhasin, Aman K. K.; Suri, C. R.; Bhasin, K. K.; Dravid, Vinayak

2012-08-01

Silica-coated gold nanoparticles (Au@SiO2) with controlled silica-shell thickness were prepared by a modified Stober's method using 10-nm gold nanoparticles (AuNPs) as seeds. The AuNPs were silica-coated with a sol-gel reaction using tetraethylorthosilicate (TEOS) as a silica source and ammonia as a catalyst. An increase in TEOS concentration resulted in an increase in shell thickness. The NPs were characterized by transmission electron microscopy, selected area electron diffraction, energy-dispersive X-ray spectroscopy, scanning near-field ultrasound holography and scanning transmission electron microscopy. The method required no surface modification and the synthesized core shell nanoparticles can be used for various types of biological applications.

Atomistic tight-binding computations of the structural and optical properties of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals

NASA Astrophysics Data System (ADS)

Sukkabot, Worasak

2018-05-01

A study of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals is carried out using atomistic tight-binding theory and the configuration interaction method to provide information for applications in bioimaging, biolabeling, display devices and near-infrared electronic instruments. The calculations yield the dependences of the internal and external passivated shells on the natural behaviours of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals. The reduction of the optical band gaps is observed with increasing numbers of monolayers in the external ZnS shell due to quantum confinement. Interestingly, the optical band gaps of CdTe/CdS/ZnS core/shell/shell nanocrystals are greater than those of CdTe/CdSe/ZnS core/shell/shell nanocrystals. In the presence of an external ZnS-coated shell, electron-hole wave function overlaps, oscillation strengths, ground-state exchange energies and Stokes shift are improved, whereas ground-state coulomb energies and fine-structure splitting are reduced. The oscillation strengths, Stokes shift and fine-structure splitting are reduced with the increase in external ZnS shell thickness. The oscillation strengths, Stokes shift and fine-structure splitting of CdTe/CdS/ZnS core/shell/shell nanocrystals are larger than those of CdTe/CdSe/ZnS core/shell/shell nanocrystals. Reduction of the atomistic electron-hole interactions is observed with increasing external ZnS shell size. The strong electron-hole interactions are more probed in CdTe/CdS/ZnS core/shell/shell nanocrystals than in CdTe/CdSe/ZnS core/shell/shell nanocrystals.

Reheating of the Universe as holographic thermalization

DOE PAGES

Kawai, Shinsuke; Nakayama, Yu

2016-06-14

Here, assuming gauge/gravity correspondence we study reheating of the Universe using its holographic dual. Inflaton decay and thermalisation of the decay products correspond to collapse of a spherical shell and formation of a blackhole in the dual anti-de Sitter (AdS) spacetime. The reheating temperature is computed as the Hawking temperature of the developed blackhole probed by a dynamical boundary, and is determined by the inflaton energy density and the AdS radius, with corrections from the dynamics of the shell collapse. For given initial energy density of the inflaton field the holographic model gives significantly lower reheating temperature than the instantmore » reheating scenario, while it is shown to be safely within phenomenological bounds.« less

Reheating of the Universe as holographic thermalization

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

Kawai, Shinsuke; Nakayama, Yu

Here, assuming gauge/gravity correspondence we study reheating of the Universe using its holographic dual. Inflaton decay and thermalisation of the decay products correspond to collapse of a spherical shell and formation of a blackhole in the dual anti-de Sitter (AdS) spacetime. The reheating temperature is computed as the Hawking temperature of the developed blackhole probed by a dynamical boundary, and is determined by the inflaton energy density and the AdS radius, with corrections from the dynamics of the shell collapse. For given initial energy density of the inflaton field the holographic model gives significantly lower reheating temperature than the instantmore » reheating scenario, while it is shown to be safely within phenomenological bounds.« less

Intermediate energy proton-deuteron elastic scattering

NASA Technical Reports Server (NTRS)

Wilson, J. W.

1973-01-01

A fully symmetrized multiple scattering series is considered for the description of proton-deuteron elastic scattering. An off-shell continuation of the experimentally known twobody amplitudes that retains the exchange symmeteries required for the calculation is presented. The one boson exchange terms of the two body amplitudes are evaluated exactly in this off-shell prescription. The first two terms of the multiple scattering series are calculated explicitly whereas multiple scattering effects are obtained as minimum variance estimates from the 146-MeV data of Postma and Wilson. The multiple scattering corrections indeed consist of low order partial waves as suggested by Sloan based on model studies with separable interactions. The Hamada-Johnston wave function is shown consistent with the data for internucleon distances greater than about 0.84 fm.

Rectangular Shell Plating Under Uniformly Distributed Hydrostatic Pressure

NASA Technical Reports Server (NTRS)

Neubert, M; Sommer, A

1940-01-01

A check of the calculation methods used by Foppl and Henky for investigating the reliability of shell plating under hydrostatic pressure has proved that the formulas yield practical results within the elastic range of the material. Foppl's approximate calculation leaves one on the safe side. It further was found on the basis of the marked ductility of the shell plating under tensile stress that the strength is from 50 to 100 percent higher in the elastic range than expected by either method.

Volume-labeled nanoparticles and methods of preparation

DOEpatents

Wang, Wei; Gu, Baohua; Retterer, Scott T; Doktycz, Mitchel J

2015-04-21

Compositions comprising nanosized objects (i.e., nanoparticles) in which at least one observable marker, such as a radioisotope or fluorophore, is incorporated within the nanosized object. The nanosized objects include, for example, metal or semi-metal oxide (e.g., silica), quantum dot, noble metal, magnetic metal oxide, organic polymer, metal salt, and core-shell nanoparticles, wherein the label is incorporated within the nanoparticle or selectively in a metal oxide shell of a core-shell nanoparticle. Methods of preparing the volume-labeled nanoparticles are also described.

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.

Determination of the topological shape of integral membrane protein light-harvesting complex LH2 from photosynthetic bacteria in the detergent solution by small-angle X-ray scattering.

PubMed

Hong, Xinguo; Weng, Yu-Xiang; Li, Ming

2004-02-01

The topological shape of the integral membrane protein light-harvesting complex LH2 from photosynthetic bacteria Rhodobacter spheroides 2.4.1 in detergent solution has been determined from synchrotron small-angle X-ray scattering data using direct curve-fitting by the ellipsoid, ab initio shape determination methods of simulated annealing algorithm and multipole expansion, respectively. The results indicate that the LH2 protein in aqueous solution is encapsulated by a monolayered detergent shell. The detergent-stabilized structure has the shape of an oblate plate, with a thickness of 40 A, a long axis of 110 A, and a short axis of 85 A. After correction for the detergent shell, the shape of the LH2 core is also an oblate plate with a height of 40 A, a long axis of 80 A, and a short axis of 55 A. In contrast to the cylindrical crystal structure with a height of 40 A and a diameter of 68 A, the molecular shape of the LH2 complex in detergent solution clearly deviates from the ringlike crystal structure, with an eccentricity found to be 0.59-consistent with the result of single molecular spectroscopy study of the isolated single LH2 molecules.

Determination of the Topological Shape of Integral Membrane Protein Light-Harvesting Complex LH2 from Photosynthetic Bacteria in the Detergent Solution by Small-Angle X-Ray Scattering

PubMed Central

Hong, Xinguo; Weng, Yu-Xiang; Li, Ming

2004-01-01

The topological shape of the integral membrane protein light-harvesting complex LH2 from photosynthetic bacteria Rhodobacter spheroides 2.4.1 in detergent solution has been determined from synchrotron small-angle X-ray scattering data using direct curve-fitting by the ellipsoid, ab initio shape determination methods of simulated annealing algorithm and multipole expansion, respectively. The results indicate that the LH2 protein in aqueous solution is encapsulated by a monolayered detergent shell. The detergent-stabilized structure has the shape of an oblate plate, with a thickness of 40 Å, a long axis of 110 Å, and a short axis of 85 Å . After correction for the detergent shell, the shape of the LH2 core is also an oblate plate with a height of 40 Å, a long axis of 80 Å, and a short axis of 55 Å. In contrast to the cylindrical crystal structure with a height of 40 Å and a diameter of 68 Å, the molecular shape of the LH2 complex in detergent solution clearly deviates from the ringlike crystal structure, with an eccentricity found to be 0.59—consistent with the result of single molecular spectroscopy study of the isolated single LH2 molecules. PMID:14747343

Extreme ultraviolet and soft x-ray spectral lines in Rb XXIX

NASA Astrophysics Data System (ADS)

Indu, Khatri; Arun, Goyal; Sunny, Aggarwal; A, K. Singh; Man, Mohan

2016-03-01

An extensive theoretical set of atomic data for Rb XXIX in a wide range with L-shell electron excitations to the M-shell has been reported. We have computed energy levels for the lowest 113 fine structure levels of Rb XXIX. The fully relativistic multiconfigurational Dirac-Fock method (MCDF) within the framework of Dirac-Coulomb Hamiltonian taking quantum electrodynamics (QED) and Breit corrections into account has been adopted for calculations. Radiative data are reported for electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions from the ground level, although calculations have been performed for a much larger number of levels. To assess the accuracy of results, we performed analogous calculations using flexible atomic code (FAC). Comparisons are made with existing available results and a good agreement has been achieved. Most of the wavelengths calculated lie in the soft x-ray (SXR) region. Lifetimes for all 113 levels have also been provided for the first time. Additionally, we have provided the spectra for allowed transitions from n = 2 to n = 3 within the x-ray region and also compared our SXR photon wavelengths with experimentally recognized wavelengths. We hope that our results will be beneficial in fusion plasma research and astrophysical applications.

Sound radiation modes of cylindrical surfaces and their application to vibro-acoustics analysis of cylindrical shells

NASA Astrophysics Data System (ADS)

Sun, Yao; Yang, Tiejun; Chen, Yuehua

2018-06-01

In this paper, sound radiation modes of baffled cylinders have been derived by constructing the radiation resistance matrix analytically. By examining the characteristics of sound radiation modes, it is found that radiation coefficient of each radiation mode increases gradually with the increase of frequency while modal shapes of sound radiation modes of cylindrical shells show a weak dependence upon frequency. Based on understandings on sound radiation modes, vibro-acoustics behaviors of cylindrical shells have been analyzed. The vibration responses of cylindrical shells are described by modified Fourier series expansions and solved by Rayleigh-Ritz method involving Flügge shell theory. Then radiation efficiency of a resonance has been determined by examining whether the vibration pattern is in correspondence with a sound radiation mode possessing great radiation efficiency. Furthermore, effects of thickness and boundary conditions on sound radiation of cylindrical shells have been investigated. It is found that radiation efficiency of thicker shells is greater than thinner shells while shells with a clamped boundary constraint radiate sound more efficiently than simply supported shells under thin shell assumption.

Prediction of the vibroacoustic behavior of a submerged shell with non-axisymmetric internal substructures by a condensed transfer function method

NASA Astrophysics Data System (ADS)

Meyer, V.; Maxit, L.; Guyader, J.-L.; Leissing, T.

2016-01-01

The vibroacoustic behavior of axisymmetric stiffened shells immersed in water has been intensively studied in the past. On the contrary, little attention has been paid to the modeling of these shells coupled to non-axisymmetric internal frames. Indeed, breaking the axisymmetry couples the circumferential orders of the Fourier series and considerably increases the computational costs. In order to tackle this issue, we propose a sub-structuring approach called the Condensed Transfer Function (CTF) method that will allow assembling a model of axisymmetric stiffened shell with models of non-axisymmetric internal frames. The CTF method is developed in the general case of mechanical subsystems coupled along curves. A set of orthonormal functions called condensation functions, which depend on the curvilinear abscissa along the coupling line, is considered. This set is then used as a basis for approximating and decomposing the displacements and the applied forces at the line junctions. Thanks to the definition and calculation of condensed transfer functions for each uncoupled subsystem and by using the superposition principle for passive linear systems, the behavior of the coupled subsystems can be deduced. A plane plate is considered as a test case to study the convergence of the method with respect to the type and the number of condensation functions taken into account. The CTF method is then applied to couple a submerged non-periodically stiffened shell described using the Circumferential Admittance Approach (CAA) with internal substructures described by Finite Element Method (FEM). The influence of non-axisymmetric internal substructures can finally be studied and it is shown that it tends to increase the radiation efficiency of the shell and can modify the vibrational and acoustic energy distribution.

Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals

NASA Astrophysics Data System (ADS)

Hansen, Andreas; Liakos, Dimitrios G.; Neese, Frank

2011-12-01

A production level implementation of the high-spin open-shell (spin unrestricted) single reference coupled pair, quadratic configuration interaction and coupled cluster methods with up to doubly excited determinants in the framework of the local pair natural orbital (LPNO) concept is reported. This work is an extension of the closed-shell LPNO methods developed earlier [F. Neese, F. Wennmohs, and A. Hansen, J. Chem. Phys. 130, 114108 (2009), 10.1063/1.3086717; F. Neese, A. Hansen, and D. G. Liakos, J. Chem. Phys. 131, 064103 (2009), 10.1063/1.3173827]. The internal space is spanned by localized orbitals, while the external space for each electron pair is represented by a truncated PNO expansion. The laborious integral transformation associated with the large number of PNOs becomes feasible through the extensive use of density fitting (resolution of the identity (RI)) techniques. Technical complications arising for the open-shell case and the use of quasi-restricted orbitals for the construction of the reference determinant are discussed in detail. As in the closed-shell case, only three cutoff parameters control the average number of PNOs per electron pair, the size of the significant pair list, and the number of contributing auxiliary basis functions per PNO. The chosen threshold default values ensure robustness and the results of the parent canonical methods are reproduced to high accuracy. Comprehensive numerical tests on absolute and relative energies as well as timings consistently show that the outstanding performance of the LPNO methods carries over to the open-shell case with minor modifications. Finally, hyperfine couplings calculated with the variational LPNO-CEPA/1 method, for which a well-defined expectation value type density exists, indicate the great potential of the LPNO approach for the efficient calculation of molecular properties.

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

Using HT and DT gamma rays to diagnose mix in Omega capsule implosions

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

Schmitt, M. J.; Herrmann, H. W.; Kim, Y. H.

Experimental evidence [1] indicates that shell material can be driven into the core of Omega capsule implosions on the same time scale as the initial convergent shock. It has been hypothesized that shock-generated temperatures at the fuel/shell interface in thin exploding pusher capsules diffusively drives shell material into the gas core between the time of shock passage and bang time. Here, we propose a method to temporally resolve and observe the evolution of shell material into the capsule core as a function of fuel/shell interface temperature (which can be varied by varying the capsule shell thickness). Our proposed method usesmore » a CD plastic capsule filled with 50/50 HT gas and diagnosed using gas Cherenkov detection (GCD) to temporally resolve both the HT "clean" and DT "mix" gamma ray burn histories. Simulations using Hydra [2] for an Omega CD-lined capsule with a sub-micron layer of the inside surface of the shell pre-mixed into a fraction of the gas region produce gamma reaction history profiles that are sensitive to the depth to which this material is mixed. Furthermore, we observe these differences as a function of capsule shell thickness is proposed to determine if interface mixing is consistent with thermal diffusion λ ii~T 2/Z 2ρ at the gas/shell interface. Finally, since hydrodynamic mixing from shell perturbations, such as the mounting stalk and glue, could complicate these types of capsule-averaged temporal measurements, simulations including their effects also have been performed showing minimal perturbation of the hot spot geometry.« less

Using HT and DT gamma rays to diagnose mix in Omega capsule implosions

DOE PAGES

Schmitt, M. J.; Herrmann, H. W.; Kim, Y. H.; ...

2016-05-26

Experimental evidence [1] indicates that shell material can be driven into the core of Omega capsule implosions on the same time scale as the initial convergent shock. It has been hypothesized that shock-generated temperatures at the fuel/shell interface in thin exploding pusher capsules diffusively drives shell material into the gas core between the time of shock passage and bang time. Here, we propose a method to temporally resolve and observe the evolution of shell material into the capsule core as a function of fuel/shell interface temperature (which can be varied by varying the capsule shell thickness). Our proposed method usesmore » a CD plastic capsule filled with 50/50 HT gas and diagnosed using gas Cherenkov detection (GCD) to temporally resolve both the HT "clean" and DT "mix" gamma ray burn histories. Simulations using Hydra [2] for an Omega CD-lined capsule with a sub-micron layer of the inside surface of the shell pre-mixed into a fraction of the gas region produce gamma reaction history profiles that are sensitive to the depth to which this material is mixed. Furthermore, we observe these differences as a function of capsule shell thickness is proposed to determine if interface mixing is consistent with thermal diffusion λ ii~T 2/Z 2ρ at the gas/shell interface. Finally, since hydrodynamic mixing from shell perturbations, such as the mounting stalk and glue, could complicate these types of capsule-averaged temporal measurements, simulations including their effects also have been performed showing minimal perturbation of the hot spot geometry.« less

Using HT and DT gamma rays to diagnose mix in Omega capsule implosions

NASA Astrophysics Data System (ADS)

Schmitt, M. J.; Herrmann, H. W.; Kim, Y. H.; McEvoy, A. M.; Zylstra, A.; Hammel, B. A.; Sepke, S. M.; Leatherland, A.; Gales, S.

2016-05-01

Experimental evidence [1] indicates that shell material can be driven into the core of Omega capsule implosions on the same time scale as the initial convergent shock. It has been hypothesized that shock-generated temperatures at the fuel/shell interface in thin exploding pusher capsules diffusively drives shell material into the gas core between the time of shock passage and bang time. We propose a method to temporally resolve and observe the evolution of shell material into the capsule core as a function of fuel/shell interface temperature (which can be varied by varying the capsule shell thickness). Our proposed method uses a CD plastic capsule filled with 50/50 HT gas and diagnosed using gas Cherenkov detection (GCD) to temporally resolve both the HT “clean” and DT “mix” gamma ray burn histories. Simulations using Hydra [2] for an Omega CD-lined capsule with a sub-micron layer of the inside surface of the shell pre-mixed into a fraction of the gas region produce gamma reaction history profiles that are sensitive to the depth to which this material is mixed. An experiment to observe these differences as a function of capsule shell thickness is proposed to determine if interface mixing is consistent with thermal diffusion λii∼T2/Z2ρ at the gas/shell interface. Since hydrodynamic mixing from shell perturbations, such as the mounting stalk and glue, could complicate these types of capsule-averaged temporal measurements, simulations including their effects also have been performed showing minimal perturbation of the hot spot geometry.

One-pot synthesis of monodisperse CoFe2O4@Ag core-shell nanoparticles and their characterization.

PubMed

Hara, Shuta; Aisu, Jumpei; Kato, Masahiro; Aono, Takashige; Sugawa, Kosuke; Takase, Kouichi; Otsuki, Joe; Shimizu, Shigeru; Ikake, Hiroki

2018-06-08

In recent years, monodispersed magnetic nanoparticles with a core/shell structure are expected for their wide applications including magnetic fluid, recoverable catalysts, and biological analysis. However, their synthesis method needs numerous processes such as solvent substitution, exchange of protective agents, and centrifugation. A simple and rapid method for the synthesis of monodispersed core-shell nanoparticles makes it possible to accelerate their further applications. This paper describes a simple and rapid one-pot synthesis of core (CoFe 2 O 4 )-shell (Ag) nanoparticles with high monodispersity. The synthesized nanoparticles showed plasmonic light absorption owing to the Ag shell. Moreover, the magnetic property of the nanoparticles had a soft magnetic behavior at room temperature and a hard magnetic behavior at 5 K. In addition, the nanoparticles showed high monodispersity with a low polydispersity index (PDI) value of 0.083 in hexane.

Enhanced exchange bias and improved ferromagnetic properties in Permalloy-BiFe0.95Co0.05O3 core-shell nanostructures.

PubMed

Javed, K; Li, W J; Ali, S S; Shi, D W; Khan, U; Riaz, S; Han, X F

2015-12-14

Hybrid core-shell nanostructures consisting of permalloy (Ni80Fe20) and multiferroic(BiFeO3, BFO/BiFe0.95Co0.05O3, BFC) materials were synthesized by a two-step method, based on wet chemical impregnation and subsequent electrodeposition within porous alumina membranes. Structural and magnetic characterizations have been done to investigate doping effect on magnetic properties and exchange bias. The magnetometry analysis revealed significant enhancements of the exchange bias and coercivity in NiFe-BFC core-shell nanostructures as compared with NiFe-BFO core-shell nanostructures. The enhancements can be attributed to the effective reduction of ferromagnet domain sizes between adjacent layers of core-shell structure. It indicates that it is possible to improve properties of multiferroic composites by site-engineering method. Our approach opens a pathway to obtain optimized nanostructured multiferroic composites exhibiting tunable magnetic properties.

Enhanced exchange bias and improved ferromagnetic properties in Permalloy–BiFe0.95Co0.05O3 core–shell nanostructures

PubMed Central

Javed, K.; Li, W. J.; Ali, S. S.; Shi, D. W.; Khan, U.; Riaz, S.; Han, X. F.

2015-01-01

Hybrid core–shell nanostructures consisting of permalloy (Ni80Fe20) and multiferroic(BiFeO3, BFO/BiFe0.95Co0.05O3, BFC) materials were synthesized by a two-step method, based on wet chemical impregnation and subsequent electrodeposition within porous alumina membranes. Structural and magnetic characterizations have been done to investigate doping effect on magnetic properties and exchange bias. The magnetometry analysis revealed significant enhancements of the exchange bias and coercivity in NiFe-BFC core-shell nanostructures as compared with NiFe-BFO core-shell nanostructures. The enhancements can be attributed to the effective reduction of ferromagnet domain sizes between adjacent layers of core-shell structure. It indicates that it is possible to improve properties of multiferroic composites by site-engineering method. Our approach opens a pathway to obtain optimized nanostructured multiferroic composites exhibiting tunable magnetic properties. PMID:26658956

Effect of Ice-Shell Thickness Variations on the Tidal Deformation of Enceladus

NASA Astrophysics Data System (ADS)

Choblet, G.; Cadek, O.; Behounkova, M.; Tobie, G.; Kozubek, T.

2015-12-01

Recent analysis of Enceladus's gravity and topography has suggested that the thickness of the ice shell significantly varies laterally - from 30-40 km in the south polar region to 60 km elsewhere. These variations may influence the activity of the geysers and increase the tidal heat production in regions where the ice shell is thinned. Using a model including a regional or global subsurface ocean and Maxwell viscoelasticity, we investigate the impact of these variations on the tidal deformation of the moon and its heat production. For that purpose, we use different numerical approaches - finite elements, local application of 1d spectral method, and a generalized spectral method. Results obtained with these three approaches for various models of ice-shell thickness variations are presented and compared. Implications of a reduced ice shell thickness for the south polar terrain activity are discussed.

AXIALLY ORIENTED SECTIONS OF NUMMULITIDS: A TOOL TO INTERPRET LARGER BENTHIC FORAMINIFERAL DEPOSITS

PubMed Central

Hohenegger, Johann; Briguglio, Antonino

2015-01-01

The “critical shear velocity” and “settling velocity” of foraminiferal shells are important parameters for determining hydrodynamic conditions during deposition of Nummulites banks. These can be estimated by determining the size, shape, and density of nummulitid shells examined in axial sections cut perpendicular to the bedding plane. Shell size and shape can be determined directly from the shell diameter and thickness, but density must be calculated indirectly from the thin section. Calculations using the half-tori method approximate shell densities by equalizing the chamber volume of each half whorl, based on the half whorl’s lumen area and its center of gravity. Results from this method yield the same lumen volumes produced empirically by micro-computed tomography. The derived hydrodynamic parameters help estimate the minimum flow velocities needed to entrain nummulitid tests and provide a potential tool to account for the nature of their accumulations. PMID:26166914

AXIALLY ORIENTED SECTIONS OF NUMMULITIDS: A TOOL TO INTERPRET LARGER BENTHIC FORAMINIFERAL DEPOSITS.

PubMed

Hohenegger, Johann; Briguglio, Antonino

2012-04-01

The "critical shear velocity" and "settling velocity" of foraminiferal shells are important parameters for determining hydrodynamic conditions during deposition of Nummulites banks. These can be estimated by determining the size, shape, and density of nummulitid shells examined in axial sections cut perpendicular to the bedding plane. Shell size and shape can be determined directly from the shell diameter and thickness, but density must be calculated indirectly from the thin section. Calculations using the half-tori method approximate shell densities by equalizing the chamber volume of each half whorl, based on the half whorl's lumen area and its center of gravity. Results from this method yield the same lumen volumes produced empirically by micro-computed tomography. The derived hydrodynamic parameters help estimate the minimum flow velocities needed to entrain nummulitid tests and provide a potential tool to account for the nature of their accumulations.

One-pot synthesis of monodisperse CoFe2O4@Ag core-shell nanoparticles and their characterization

NASA Astrophysics Data System (ADS)

Hara, Shuta; Aisu, Jumpei; Kato, Masahiro; Aono, Takashige; Sugawa, Kosuke; Takase, Kouichi; Otsuki, Joe; Shimizu, Shigeru; Ikake, Hiroki

2018-06-01

In recent years, monodispersed magnetic nanoparticles with a core/shell structure are expected for their wide applications including magnetic fluid, recoverable catalysts, and biological analysis. However, their synthesis method needs numerous processes such as solvent substitution, exchange of protective agents, and centrifugation. A simple and rapid method for the synthesis of monodispersed core-shell nanoparticles makes it possible to accelerate their further applications. This paper describes a simple and rapid one-pot synthesis of core (CoFe2O4)-shell (Ag) nanoparticles with high monodispersity. The synthesized nanoparticles showed plasmonic light absorption owing to the Ag shell. Moreover, the magnetic property of the nanoparticles had a soft magnetic behavior at room temperature and a hard magnetic behavior at 5 K. In addition, the nanoparticles showed high monodispersity with a low polydispersity index (PDI) value of 0.083 in hexane.

A parameter-free variational coupling approach for trimmed isogeometric thin shells

NASA Astrophysics Data System (ADS)

Guo, Yujie; Ruess, Martin; Schillinger, Dominik

2017-04-01

The non-symmetric variant of Nitsche's method was recently applied successfully for variationally enforcing boundary and interface conditions in non-boundary-fitted discretizations. In contrast to its symmetric variant, it does not require stabilization terms and therefore does not depend on the appropriate estimation of stabilization parameters. In this paper, we further consolidate the non-symmetric Nitsche approach by establishing its application in isogeometric thin shell analysis, where variational coupling techniques are of particular interest for enforcing interface conditions along trimming curves. To this end, we extend its variational formulation within Kirchhoff-Love shell theory, combine it with the finite cell method, and apply the resulting framework to a range of representative shell problems based on trimmed NURBS surfaces. We demonstrate that the non-symmetric variant applied in this context is stable and can lead to the same accuracy in terms of displacements and stresses as its symmetric counterpart. Based on our numerical evidence, the non-symmetric Nitsche method is a viable parameter-free alternative to the symmetric variant in elastostatic shell analysis.

Three-dimensional local grid refinement for block-centered finite-difference groundwater models using iteratively coupled shared nodes: A new method of interpolation and analysis of errors

USGS Publications Warehouse

Mehl, S.; Hill, M.C.

2004-01-01

This paper describes work that extends to three dimensions the two-dimensional local-grid refinement method for block-centered finite-difference groundwater models of Mehl and Hill [Development and evaluation of a local grid refinement method for block-centered finite-difference groundwater models using shared nodes. Adv Water Resour 2002;25(5):497-511]. In this approach, the (parent) finite-difference grid is discretized more finely within a (child) sub-region. The grid refinement method sequentially solves each grid and uses specified flux (parent) and specified head (child) boundary conditions to couple the grids. Iteration achieves convergence between heads and fluxes of both grids. Of most concern is how to interpolate heads onto the boundary of the child grid such that the physics of the parent-grid flow is retained in three dimensions. We develop a new two-step, "cage-shell" interpolation method based on the solution of the flow equation on the boundary of the child between nodes shared with the parent grid. Error analysis using a test case indicates that the shared-node local grid refinement method with cage-shell boundary head interpolation is accurate and robust, and the resulting code is used to investigate three-dimensional local grid refinement of stream-aquifer interactions. Results reveal that (1) the parent and child grids interact to shift the true head and flux solution to a different solution where the heads and fluxes of both grids are in equilibrium, (2) the locally refined model provided a solution for both heads and fluxes in the region of the refinement that was more accurate than a model without refinement only if iterations are performed so that both heads and fluxes are in equilibrium, and (3) the accuracy of the coupling is limited by the parent-grid size - A coarse parent grid limits correct representation of the hydraulics in the feedback from the child grid.

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

Nano-G research laboratory for a spacecraft

NASA Technical Reports Server (NTRS)

Vonbun, Friedrich O. (Inventor); Garriott, Owen K. (Inventor)

1991-01-01

An acceleration free research laboratory is provided that is confined within a satellite but free of any physical engagement with the walls of the satellite, wherein the laboratory has adequate power, heating, cooling, and communications services to conduct basic research and development. An inner part containing the laboratory is positioned at the center-of-mass of a satellite within the satellite's outer shell. The satellite is then positioned such that its main axes are in a position parallel to its flight velocity vector or in the direction of the residual acceleration vector. When the satellite is in its desired orbit, the inner part is set free so as to follow that orbit without contacting the inside walls of the outer shell. Sensing means detect the position of the inner part with respect to the outer shell, and activate control rockets to move the outer shell; thereby, the inner part is repositioned such that it is correctly positioned at the center-of-mass of the satellite. As a consequence, all disturbing forces, such as drag forces, act on the outer shell, and the inner part containing the laboratory is shielded and is affected only by gravitational forces. Power is supplied to the inner part and to the laboratory by a balanced microwave/laser link which creates the kind of environment necessary for basic research to study critical phenomena such as the Lambda transition in helium and crystal growth, and to perform special metals and alloys research, etc.

Higgs decays to Z Z and Z γ in the standard model effective field theory: An NLO analysis

NASA Astrophysics Data System (ADS)

Dawson, S.; Giardino, P. P.

2018-05-01

We calculate the complete one-loop electroweak corrections to the inclusive H →Z Z and H →Z γ decays in the dimension-6 extension of the Standard Model Effective Field Theory (SMEFT). The corrections to H →Z Z are computed for on-shell Z bosons and are a precursor to the physical H →Z f f ¯ calculation. We present compact numerical formulas for our results and demonstrate that the logarithmic contributions that result from the renormalization group evolution of the SMEFT coefficients are larger than the finite next-to-leading-order contributions to the decay widths. As a byproduct of our calculation, we obtain the first complete result for the finite corrections to Gμ in the SMEFT.

Effects of stomata clustering on leaf gas exchange.

PubMed

Lehmann, Peter; Or, Dani

2015-09-01

A general theoretical framework for quantifying the stomatal clustering effects on leaf gaseous diffusive conductance was developed and tested. The theory accounts for stomatal spacing and interactions among 'gaseous concentration shells'. The theory was tested using the unique measurements of Dow et al. (2014) that have shown lower leaf diffusive conductance for a genotype of Arabidopsis thaliana with clustered stomata relative to uniformly distributed stomata of similar size and density. The model accounts for gaseous diffusion: through stomatal pores; via concentration shells forming at pore apertures that vary with stomata spacing and are thus altered by clustering; and across the adjacent air boundary layer. Analytical approximations were derived and validated using a numerical model for 3D diffusion equation. Stomata clustering increases the interactions among concentration shells resulting in larger diffusive resistance that may reduce fluxes by 5-15%. A similar reduction in conductance was found for clusters formed by networks of veins. The study resolves ambiguities found in the literature concerning stomata end-corrections and stomatal shape, and provides a new stomata density threshold for diffusive interactions of overlapping vapor shells. The predicted reduction in gaseous exchange due to clustering, suggests that guard cell function is impaired, limiting stomatal aperture opening. © 2015 The Authors. New Phytologist © 2015 New Phytologist Trust.

Non-Deterministic Dynamic Instability of Composite Shells

NASA Technical Reports Server (NTRS)

Chamis, Christos C.; Abumeri, Galib H.

2004-01-01

A computationally effective method is described to evaluate the non-deterministic dynamic instability (probabilistic dynamic buckling) of thin composite shells. The method is a judicious combination of available computer codes for finite element, composite mechanics, and probabilistic structural analysis. The solution method is incrementally updated Lagrangian. It is illustrated by applying it to thin composite cylindrical shell subjected to dynamic loads. Both deterministic and probabilistic buckling loads are evaluated to demonstrate the effectiveness of the method. A universal plot is obtained for the specific shell that can be used to approximate buckling loads for different load rates and different probability levels. Results from this plot show that the faster the rate, the higher the buckling load and the shorter the time. The lower the probability, the lower is the buckling load for a specific time. Probabilistic sensitivity results show that the ply thickness, the fiber volume ratio and the fiber longitudinal modulus, dynamic load and loading rate are the dominant uncertainties, in that order.

Geometric screening of core/shell hydrogel microcapsules using a tapered microchannel with interdigitated electrodes.

PubMed

Niu, Ye; Qi, Lin; Zhang, Fen; Zhao, Yi

2018-07-30

Core/shell hydrogel microcapsules attract increasing research attention due to their potentials in tissue engineering, food engineering, and drug delivery. Current approaches for generating core/shell hydrogel microcapsules suffer from large geometric variations. Geometrically defective core/shell microcapsules need to be removed before further use. High-throughput geometric characterization of such core/shell microcapsules is therefore necessary. In this work, a continuous-flow device was developed to measure the geometric properties of microcapsules with a hydrogel shell and an aqueous core. The microcapsules were pumped through a tapered microchannel patterned with an array of interdigitated microelectrodes. The geometric parameters (the shell thickness and the diameter) were derived from the displacement profiles of the microcapsules. The results show that this approach can successfully distinguish all unencapsulated microparticles. The geometric properties of core/shell microcapsules can be determined with high accuracy. The efficacy of this method was demonstrated through a drug releasing experiment where the optimization of the electrospray process based on geometric screening can lead to controlled and extended drug releasing profiles. This method does not require high-speed optical systems, simplifying the system configuration and making it an indeed miniaturized device. The throughput of up to 584 microcapsules per minute was achieved. This study provides a powerful tool for screening core/shell hydrogel microcapsules and is expected to facilitate the applications of these microcapsules in various fields. Copyright © 2018 Elsevier B.V. All rights reserved.

Annular fuel and air co-flow premixer

DOEpatents

Stevenson, Christian Xavier; Melton, Patrick Benedict; York, William David

2013-10-15

Disclosed is a premixer for a combustor including an annular outer shell and an annular inner shell. The inner shell defines an inner flow channel inside of the inner shell and is located to define an outer flow channel between the outer shell and the inner shell. A fuel discharge annulus is located between the outer flow channel and the inner flow channel and is configured to inject a fuel flow into a mixing area in a direction substantially parallel to an outer airflow through the outer flow channel and an inner flow through the inner flow channel. Further disclosed are a combustor including a plurality of premixers and a method of premixing air and fuel in a combustor.

Radiative lifetimes of zincblende CdSe/CdS quantum dots

DOE PAGES

Gong, Ke; Martin, James E.; Shea-Rohwer, Lauren E.; ...

2015-01-02

Recent synthetic advances have made available very monodisperse zincblende CdSe/CdS quantum dots having near-unity photoluminescence quantum yields. Because of the absence of nonradiative decay pathways, accurate values of the radiative lifetimes can be obtained from time-resolved PL measurements. Radiative lifetimes can also be obtained from the Einstein relations, using the static absorption spectra and the relative thermal populations in the angular momentum sublevels. We found that one of the inputs into these calculations is the shell thickness, and it is useful to be able to determine shell thickness from spectroscopic measurements. We use an empirically corrected effective mass model tomore » produce a “map” of exciton wavelength as a function of core size and shell thickness. These calculations use an elastic continuum model and the known lattice and elastic constants to include the effect of lattice strain on the band gap energy. The map is in agreement with the known CdSe sizing curve and with the shell thicknesses of zincblende core/shell particles obtained from TEM images. Furthermore, if selenium–sulfur diffusion is included and lattice strain is omitted from the calculation then the resulting map is appropriate for wurtzite CdSe/CdS quantum dots synthesized at high temperatures, and this map is very similar to one previously reported (J. Am. Chem. Soc. 2009, 131, 14299). Radiative lifetimes determined from time-resolved measurements are compared to values obtained from the Einstein relations, and found to be in excellent agreement. For a specific core size (2.64 nm diameter, in the present case), radiative lifetimes are found to decrease with increasing shell thickness. Thus, this is similar to the size dependence of one-component CdSe quantum dots and in contrast to the size dependence in type-II quantum dots.« less

Supersonic inflation of the radio lobes of NGC 1052: evidence for non-thermal particle acceleration

NASA Astrophysics Data System (ADS)

Morris, Taylor Andrew; Kraft, Ralph P.; Jones, Christine

2016-01-01

We analyze archival Chandra data of the nearby AGN NGC 1052 to determine the nature of the interaction of the radio lobes with the ambient hot gas. NGC 1052 is typically classified as a Seyfert galaxy, but has a radio bright core and extended diffuse radio lobes on kpc scales. We report the detection of X-ray bright shells around the radio lobes, suggestive of compression of the ISM by the supersonic inflation of the lobes. We determine the temperature and density of the gas in these shells and of the ambient ISM. We find that the temperature of the ISM is 0.8 keV, and that of the shells around the E and W radio lobes are 0.72 and 0.69 keV, respectively fitting a single temperature APEC model. The statistical quality of the fits is low, so systematic uncertainties dominate our ability to distinguish temperature variations between regions. NGC 1052's outburst is relatively young (9 x 1013 sec) and comparatively low power (1.9 x 1041 erg/sec). Interestingly, the density jump between the shells and the ambient ISM is larger than the maximum compression allows by the Rankine-Hugoniot conditions, suggesting that the emission from the shells is not thermal. We propose that the bubbles are highly supersonic (Mach number >5) and that the emission of the shell is due to synchrotron radiation from a population of ultrarelativistic electrons created by the powerful shock. If this interpretation is correct, NGC 1052 would be only the second AGN in which this process has been observed. This work was supported in part by the NSF REU and DoD ASSURE programs under NSF grant no. 1262851 and by the Smithsonian Institution.

Nuclear-polarization correction to the bound-electron g factor in heavy hydrogenlike ions.

PubMed

Nefiodov, A V; Plunien, G; Soff, G

2002-08-19

The influence of nuclear polarization on the bound-electron g factor in heavy hydrogenlike ions is investigated. Numerical calculations are performed for the K- and L-shell electrons taking into account the dominant virtual nuclear excitations. This determines the ultimate limit for tests of QED utilizing measurements of the bound-electron g factor in highly charged ions.

Matter-induced charge-symmetry-violating NN potential

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

Biswas, Subhrajyoti; Roy, Pradip; Dutt-Mazumder, Abhee K.

2010-01-15

We construct a density-dependent, Class III, charge-symmetry-violating (CSV) potential due to mixing of the {rho}-{omega} meson with off-shell corrections. Here, in addition to the usual vacuum contribution, the matter-induced mixing of {rho}-{omega} is also included. It is observed that the contribution of the density-dependent CSV potential is comparable to that of the vacuum contribution.

THREE-DIMENSIONAL MODELING OF THE DYNAMICS OF THERAPEUTIC ULTRASOUND CONTRAST AGENTS

PubMed Central

Hsiao, Chao-Tsung; Lu, Xiaozhen; Chahine, Georges

2010-01-01

A 3-D thick-shell contrast agent dynamics model was developed by coupling a finite volume Navier-Stokes solver and a potential boundary element method flow solver to simulate the dynamics of thick-shelled contrast agents subjected to pressure waves. The 3-D model was validated using a spherical thick-shell model validated by experimental observations. We then used this model to study shell break-up during nonspherical deformations resulting from multiple contrast agent interaction or the presence of a nearby solid wall. Our simulations indicate that the thick viscous shell resists the contrast agent from forming a re-entrant jet, as normally observed for an air bubble oscillating near a solid wall. Instead, the shell thickness varies significantly from location to location during the dynamics, and this could lead to shell break-up caused by local shell thinning and stretching. PMID:20950929

Accurate image-charge method by the use of the residue theorem for core-shell dielectric sphere

NASA Astrophysics Data System (ADS)

Fu, Jing; Xu, Zhenli

2018-02-01

An accurate image-charge method (ICM) is developed for ionic interactions outside a core-shell structured dielectric sphere. Core-shell particles have wide applications for which the theoretical investigation requires efficient methods for the Green's function used to calculate pairwise interactions of ions. The ICM is based on an inverse Mellin transform from the coefficients of spherical harmonic series of the Green's function such that the polarization charge due to dielectric boundaries is represented by a series of image point charges and an image line charge. The residue theorem is used to accurately calculate the density of the line charge. Numerical results show that the ICM is promising in fast evaluation of the Green's function, and thus it is useful for theoretical investigations of core-shell particles. This routine can also be applicable for solving other problems with spherical dielectric interfaces such as multilayered media and Debye-Hückel equations.

Double-label immunofluorescence method for simultaneous detection of adenovirus and herpes simplex virus from the eye.

PubMed

Walpita, P; Darougar, S

1989-07-01

The development and application of a double-label immunofluorescence method which has the potential to screen for single or dual infections from any site, in single shell vial cultures, is described. In this study, a total of 1,141 ocular specimens were inoculated in shell vials, centrifuged at 15,000 X g for 1 h, incubated at 37 degrees C for 48 h, and fixed in methanol at room temperature for 15 min. The virus inclusions were detected by staining with a double-label indirect immunofluorescence procedure using mixtures of appropriate first antibodies, followed by fluorescein- and rhodamine-conjugated second antibodies. Each specimen was also inoculated in parallel by the conventional virus isolation method. The sensitivity and specificity of the double-label shell vial procedure were comparable to those with the conventional method, and the former test took only 48 h to complete. The test offers a rapid and simple single-vial procedure which allows for individual or simultaneous detection of multiple pathogens. It results in savings in time and cost over the conventional virus isolation method and other shell vial procedures.

Synthesis and magnetic properties of cobalt-iron/cobalt-ferrite soft/hard magnetic core/shell nanowires

NASA Astrophysics Data System (ADS)

Leandro Londoño-Calderón, César; Moscoso-Londoño, Oscar; Muraca, Diego; Arzuza, Luis; Carvalho, Peterson; Pirota, Kleber Roberto; Knobel, Marcelo; Pampillo, Laura Gabriela; Martínez-García, Ricardo

2017-06-01

A straightforward method for the synthesis of CoFe2.7/CoFe2O4 core/shell nanowires is described. The proposed method starts with a conventional pulsed electrodeposition procedure on alumina nanoporous template. The obtained CoFe2.7 nanowires are released from the template and allowed to oxidize at room conditions over several weeks. The effects of partial oxidation on the structural and magnetic properties were studied by x-ray spectrometry, magnetometry, and scanning and transmission electron microscopy. The results indicate that the final nanowires are composed of 5 nm iron-cobalt alloy nanoparticles. Releasing the nanowires at room conditions promoted surface oxidation of the nanoparticles and created a CoFe2O4 shell spinel-like structure. The shell avoids internal oxidation and promotes the formation of bi-magnetic soft/hard magnetic core/shell nanowires. The magnetic properties of both the initial single-phase CoFe2.7 nanowires and the final core/shell nanowires, reveal that the changes in the properties from the array are due to the oxidation more than effects associated with released processes (disorder and agglomeration).

Synthesis and magnetic properties of cobalt-iron/cobalt-ferrite soft/hard magnetic core/shell nanowires.

PubMed

Londoño-Calderón, César Leandro; Moscoso-Londoño, Oscar; Muraca, Diego; Arzuza, Luis; Carvalho, Peterson; Pirota, Kleber Roberto; Knobel, Marcelo; Pampillo, Laura Gabriela; Martínez-García, Ricardo

2017-06-16

A straightforward method for the synthesis of CoFe 2.7 /CoFe 2 O 4 core/shell nanowires is described. The proposed method starts with a conventional pulsed electrodeposition procedure on alumina nanoporous template. The obtained CoFe 2.7 nanowires are released from the template and allowed to oxidize at room conditions over several weeks. The effects of partial oxidation on the structural and magnetic properties were studied by x-ray spectrometry, magnetometry, and scanning and transmission electron microscopy. The results indicate that the final nanowires are composed of 5 nm iron-cobalt alloy nanoparticles. Releasing the nanowires at room conditions promoted surface oxidation of the nanoparticles and created a CoFe 2 O 4 shell spinel-like structure. The shell avoids internal oxidation and promotes the formation of bi-magnetic soft/hard magnetic core/shell nanowires. The magnetic properties of both the initial single-phase CoFe 2.7 nanowires and the final core/shell nanowires, reveal that the changes in the properties from the array are due to the oxidation more than effects associated with released processes (disorder and agglomeration).

Direct observation of the core/double-shell architecture of intense dual-mode luminescent tetragonal bipyramidal nanophosphors

NASA Astrophysics Data System (ADS)

Kim, Su Yeon; Jeong, Jong Seok; Mkhoyan, K. Andre; Jang, Ho Seong

2016-05-01

Highly efficient downconversion (DC) green-emitting LiYF4:Ce,Tb nanophosphors have been synthesized for bright dual-mode upconversion (UC) and DC green-emitting core/double-shell (C/D-S) nanophosphors--Li(Gd,Y)F4:Yb(18%),Er(2%)/LiYF4:Ce(15%),Tb(15%)/LiYF4--and the C/D-S structure has been proved by extensive scanning transmission electron microscopy (STEM) analysis. Colloidal LiYF4:Ce,Tb nanophosphors with a tetragonal bipyramidal shape are synthesized for the first time and they show intense DC green light via energy transfer from Ce3+ to Tb3+ under illumination with ultraviolet (UV) light. The LiYF4:Ce,Tb nanophosphors show 65 times higher photoluminescence intensity than LiYF4:Tb nanophosphors under illumination with UV light and the LiYF4:Ce,Tb is adapted into a luminescent shell of the tetragonal bipyramidal C/D-S nanophosphors. The formation of the DC shell on the core significantly enhances UC luminescence from the UC core under irradiation of near infrared light and concurrently generates DC luminescence from the core/shell nanophosphors under UV light. Coating with an inert inorganic shell further enhances the UC-DC dual-mode luminescence by suppressing the surface quenching effect. The C/D-S nanophosphors show 3.8% UC quantum efficiency (QE) at 239 W cm-2 and 73.0 +/- 0.1% DC QE. The designed C/D-S architecture in tetragonal bipyramidal nanophosphors is rigorously verified by an energy dispersive X-ray spectroscopy (EDX) analysis, with the assistance of line profile simulation, using an aberration-corrected scanning transmission electron microscope equipped with a high-efficiency EDX. The feasibility of these C/D-S nanophosphors for transparent display devices is also considered.Highly efficient downconversion (DC) green-emitting LiYF4:Ce,Tb nanophosphors have been synthesized for bright dual-mode upconversion (UC) and DC green-emitting core/double-shell (C/D-S) nanophosphors--Li(Gd,Y)F4:Yb(18%),Er(2%)/LiYF4:Ce(15%),Tb(15%)/LiYF4--and the C/D-S structure has been proved by extensive scanning transmission electron microscopy (STEM) analysis. Colloidal LiYF4:Ce,Tb nanophosphors with a tetragonal bipyramidal shape are synthesized for the first time and they show intense DC green light via energy transfer from Ce3+ to Tb3+ under illumination with ultraviolet (UV) light. The LiYF4:Ce,Tb nanophosphors show 65 times higher photoluminescence intensity than LiYF4:Tb nanophosphors under illumination with UV light and the LiYF4:Ce,Tb is adapted into a luminescent shell of the tetragonal bipyramidal C/D-S nanophosphors. The formation of the DC shell on the core significantly enhances UC luminescence from the UC core under irradiation of near infrared light and concurrently generates DC luminescence from the core/shell nanophosphors under UV light. Coating with an inert inorganic shell further enhances the UC-DC dual-mode luminescence by suppressing the surface quenching effect. The C/D-S nanophosphors show 3.8% UC quantum efficiency (QE) at 239 W cm-2 and 73.0 +/- 0.1% DC QE. The designed C/D-S architecture in tetragonal bipyramidal nanophosphors is rigorously verified by an energy dispersive X-ray spectroscopy (EDX) analysis, with the assistance of line profile simulation, using an aberration-corrected scanning transmission electron microscope equipped with a high-efficiency EDX. The feasibility of these C/D-S nanophosphors for transparent display devices is also considered. Electronic supplementary information (ESI) available: XRD patterns, PL and PLE spectra, SEM and HR-TEM images, PL decay times, photographs showing the transparent nanophosphor solutions and their dual-mode luminescence, and additional EDX data. See DOI: 10.1039/c5nr05722a

On the interplay of shell structure with low- and high-frequency mechanics of multifunctional magnetic microbubbles.

PubMed

Poehlmann, Melanie; Grishenkov, Dmitry; Kothapalli, Satya V V N; Härmark, Johan; Hebert, Hans; Philipp, Alexandra; Hoeller, Roland; Seuss, Maximilian; Kuttner, Christian; Margheritelli, Silvia; Paradossi, Gaio; Fery, Andreas

2014-01-07

Polymer-shelled magnetic microbubbles have great potential as hybrid contrast agents for ultrasound and magnetic resonance imaging. In this work, we studied US/MRI contrast agents based on air-filled poly(vinyl alcohol)-shelled microbubbles combined with superparamagnetic iron oxide nanoparticles (SPIONs). The SPIONs are integrated either physically or chemically into the polymeric shell of the microbubbles (MBs). As a result, two different designs of a hybrid contrast agent are obtained. With the physical approach, SPIONs are embedded inside the polymeric shell and with the chemical approach SPIONs are covalently linked to the shell surface. The structural design of hybrid probes is important, because it strongly determines the contrast agent's response in the considered imaging methods. In particular, we were interested how structural differences affect the shell's mechanical properties, which play a key role for the MBs' US imaging performance. Therefore, we thoroughly characterized the MBs' geometric features and investigated low-frequency mechanics by using atomic force microscopy (AFM) and high-frequency mechanics by using acoustic tests. Thus, we were able to quantify the impact of the used SPIONs integration method on the shell's elastic modulus, shear modulus and shear viscosity. In summary, the suggested approach contributes to an improved understanding of structure-property relations in US-active hybrid contrast agents and thus provides the basis for their sustainable development and optimization.

[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.

On the possibility of room temperature ferromagnetism on chunk-shape BaSnO3/ZnO core/shell nanostructures

NASA Astrophysics Data System (ADS)

Rajamanickam, N.; Jayakumar, K.; Ramachandran, K.

2018-04-01

Core/shell BaSnO3/ZnO (BS-ZO) nanostructures were prepared by oxalate precipitation method and wet-chemical method. BaSnO3 (BSO) cubic perovskite structure and ZnO hexagonal wurtzite structure were confirmed by X-ray diffraction (XRD). The crystallite sizes is 23 nm, 29 nm and 27 nm for BSO, ZnO and BS-ZO, respectively. Chunk-shape and cuboids morphology observed from scanning electron microscopy (SEM) analysis. The magnetic properties were studied by VSM for bare and core-shell nano systems and the room temperature ferromagnetism observed for core-shell nanostructures. The BSO/ZnO shows enhanced coercivity and saturated magnetization as compared with BSO and ZnO nanostructures.

SU-C-BRA-03: An Automated and Quick Contour Errordetection for Auto Segmentation in Online Adaptive Radiotherapy

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

Zhang, J; Ates, O; Li, X

Purpose: To develop a tool that can quickly and automatically assess contour quality generated from auto segmentation during online adaptive replanning. Methods: Due to the strict time requirement of online replanning and lack of ‘ground truth’ contours in daily images, our method starts with assessing image registration accuracy focusing on the surface of the organ in question. Several metrics tightly related to registration accuracy including Jacobian maps, contours shell deformation, and voxel-based root mean square (RMS) analysis were computed. To identify correct contours, additional metrics and an adaptive decision tree are introduced. To approve in principle, tests were performed withmore » CT sets, planned and daily CTs acquired using a CT-on-rails during routine CT-guided RT delivery for 20 prostate cancer patients. The contours generated on daily CTs using an auto-segmentation tool (ADMIRE, Elekta, MIM) based on deformable image registration of the planning CT and daily CT were tested. Results: The deformed contours of 20 patients with total of 60 structures were manually checked as baselines. The incorrect rate of total contours is 49%. To evaluate the quality of local deformation, the Jacobian determinant (1.047±0.045) on contours has been analyzed. In an analysis of rectum contour shell deformed, the higher rate (0.41) of error contours detection was obtained compared to 0.32 with manual check. All automated detections took less than 5 seconds. Conclusion: The proposed method can effectively detect contour errors in micro and macro scope by evaluating multiple deformable registration metrics in a parallel computing process. Future work will focus on improving practicability and optimizing calculation algorithms and metric selection.« less

Breeding value prediction for production traits in layer chickens using pedigree or genomic relationships in a reduced animal model.

PubMed

Wolc, Anna; Stricker, Chris; Arango, Jesus; Settar, Petek; Fulton, Janet E; O'Sullivan, Neil P; Preisinger, Rudolf; Habier, David; Fernando, Rohan; Garrick, Dorian J; Lamont, Susan J; Dekkers, Jack C M

2011-01-21

Genomic selection involves breeding value estimation of selection candidates based on high-density SNP genotypes. To quantify the potential benefit of genomic selection, accuracies of estimated breeding values (EBV) obtained with different methods using pedigree or high-density SNP genotypes were evaluated and compared in a commercial layer chicken breeding line. The following traits were analyzed: egg production, egg weight, egg color, shell strength, age at sexual maturity, body weight, albumen height, and yolk weight. Predictions appropriate for early or late selection were compared. A total of 2,708 birds were genotyped for 23,356 segregating SNP, including 1,563 females with records. Phenotypes on relatives without genotypes were incorporated in the analysis (in total 13,049 production records).The data were analyzed with a Reduced Animal Model using a relationship matrix based on pedigree data or on marker genotypes and with a Bayesian method using model averaging. Using a validation set that consisted of individuals from the generation following training, these methods were compared by correlating EBV with phenotypes corrected for fixed effects, selecting the top 30 individuals based on EBV and evaluating their mean phenotype, and by regressing phenotypes on EBV. Using high-density SNP genotypes increased accuracies of EBV up to two-fold for selection at an early age and by up to 88% for selection at a later age. Accuracy increases at an early age can be mostly attributed to improved estimates of parental EBV for shell quality and egg production, while for other egg quality traits it is mostly due to improved estimates of Mendelian sampling effects. A relatively small number of markers was sufficient to explain most of the genetic variation for egg weight and body weight.

A solar-thermal energy harvesting scheme: enhanced heat capacity of molten HITEC salt mixed with Sn/SiOx core-shell nanoparticles

NASA Astrophysics Data System (ADS)

Lai, Chih-Chung; Chang, Wen-Chih; Hu, Wen-Liang; Wang, Zhiming M.; Lu, Ming-Chang; Chueh, Yu-Lun

2014-04-01

We demonstrated enhanced solar-thermal storage by releasing the latent heat of Sn/SiOx core-shell nanoparticles (NPs) embedded in a eutectic salt. The microstructures and chemical compositions of Sn/SiOx core-shell NPs were characterized. In situ heating XRD provides dynamic crystalline information about the Sn/SiOx core-shell NPs during cyclic heating processes. The latent heat of ~29 J g-1 for Sn/SiOx core-shell NPs was measured, and 30% enhanced heat capacity was achieved from 1.57 to 2.03 J g-1 K-1 for the HITEC solar salt without and with, respectively, a mixture of 5% Sn/SiOx core-shell NPs. In addition, an endurance cycle test was performed to prove a stable operation in practical applications. The approach provides a method to enhance energy storage in solar-thermal power plants.We demonstrated enhanced solar-thermal storage by releasing the latent heat of Sn/SiOx core-shell nanoparticles (NPs) embedded in a eutectic salt. The microstructures and chemical compositions of Sn/SiOx core-shell NPs were characterized. In situ heating XRD provides dynamic crystalline information about the Sn/SiOx core-shell NPs during cyclic heating processes. The latent heat of ~29 J g-1 for Sn/SiOx core-shell NPs was measured, and 30% enhanced heat capacity was achieved from 1.57 to 2.03 J g-1 K-1 for the HITEC solar salt without and with, respectively, a mixture of 5% Sn/SiOx core-shell NPs. In addition, an endurance cycle test was performed to prove a stable operation in practical applications. The approach provides a method to enhance energy storage in solar-thermal power plants. Electronic supplementary information (ESI) available: Detailed experimental results are included for the following: SEM images of the HITEC molten salt with and without a mixture of Sn/SiOx core-shell NPs; statistical diameter distribution of pure Sn and Sn/SiOx core-shell NPs; the HAADF image and EDS linescan profile of a Sn/SiOx core-shell NP; XRD analysis for Sn NPs annealing at different heating temperatures; the XRD spectra of Sn/SiOx core-shell NPs before and after RTA for the shell protection test. See DOI: 10.1039/c3nr06810b

Biomass-based palm shell activated carbon and palm shell carbon molecular sieve as gas separation adsorbents.

PubMed

Sethupathi, Sumathi; Bashir, Mohammed Jk; Akbar, Zinatizadeh Ali; Mohamed, Abdul Rahman

2015-04-01

Lignocellulosic biomass has been widely recognised as a potential low-cost source for the production of high added value materials and proved to be a good precursor for the production of activated carbons. One of such valuable biomasses used for the production of activated carbons is palm shell. Palm shell (endocarp) is an abundant by-product produced from the palm oil industries throughout tropical countries. Palm shell activated carbon and palm shell carbon molecular sieve has been widely applied in various environmental pollution control technologies, mainly owing to its high adsorption performance, well-developed porosity and low cost, leading to potential applications in gas-phase separation using adsorption processes. This mini-review represents a comprehensive overview of the palm shell activated carbon and palm shell carbon molecular sieve preparation method, physicochemical properties and feasibility of palm shell activated carbon and palm shell carbon molecular sieve in gas separation processes. Some of the limitations are outlined and suggestions for future improvements are pointed out. © The Author(s) 2015.

Fabrication of core-shell micro/nanoparticles for programmable dual drug release by emulsion electrospraying

NASA Astrophysics Data System (ADS)

Wang, Yazhou; Zhang, Yiqiong; Wang, Bochu; Cao, Yang; Yu, Qingsong; Yin, Tieying

2013-06-01

The study aimed at constructing a novel drug delivery system for programmable multiple drug release controlled with core-shell structure. The core-shell structure consisted of chitosan nanoparticles as core and polyvinylpyrrolidone micro/nanocoating as shell to form core-shell micro/nanoparticles, which was fabricated by ionic gelation and emulsion electrospray methods. As model drug agents, Naproxen and rhodamine B were encapsulated in the core and shell regions, respectively. The core-shell micro/nanoparticles thus fabricated were characterized and confirmed by scanning electron microscope, transmission electron microscope, and fluorescence optical microscope. The core-shell micro/nanoparticles showed good release controllability through drug release experiment in vitro. It was noted that a programmable release pattern for dual drug agents was also achieved by adjusting their loading regions in the core-shell structures. The results indicate that emulsion electrospraying technology is a promising approach in fabrication of core-shell micro/nanoparticles for programmable dual drug release. Such a novel multi-drug delivery system has a potential application for the clinical treatment of cancer, tuberculosis, and tissue engineering.

Core-shell microspheres with porous nanostructured shells for liquid chromatography.

PubMed

Ahmed, Adham; Skinley, Kevin; Herodotou, Stephanie; Zhang, Haifei

2018-01-01

The development of new stationary phases has been the key aspect for fast and efficient high-performance liquid chromatography separation with relatively low backpressure. Core-shell particles, with a solid core and porous shell, have been extensively investigated and commercially manufactured in the last decade. The excellent performance of core-shell particles columns has been recorded for a wide range of analytes, covering small and large molecules, neutral and ionic (acidic and basic), biomolecules and metabolites. In this review, we first introduce the advance and advantages of core-shell particles (or more widely known as superficially porous particles) against non-porous particles and fully porous particles. This is followed by the detailed description of various methods used to fabricate core-shell particles. We then discuss the applications of common silica core-shell particles (mostly commercially manufactured), spheres-on-sphere particles and core-shell particles with a non-silica shell. This review concludes with a summary and perspective on the development of stationary phase materials for high-performance liquid chromatography applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Alternating current dielectrophoresis of core-shell nanoparticles: Experiments and comparison with theory

NASA Astrophysics Data System (ADS)

Yang, Chungja

Nanoparticles are fascinating where physical and optical properties are related to size. Highly controllable synthesis methods and nanoparticle assembly are essential for highly innovative technological applications. Well-defined shaped and sized nanoparticles enable comparisons between experiments, theory and subsequent new models to explain experimentally observed phenomena. Among nanoparticles, nonhomogeneous core-shell nanoparticles (CSnp) have new properties that arise when varying the relative dimensions of the core and the shell. This CSnp structure enables various optical resonances, and engineered energy barriers, in addition to the high charge to surface ratio. Assembly of homogeneous nanoparticles into functional structures has become ubiquitous in biosensors (i.e. optical labeling), nanocoatings, and electrical circuits. Limited nonhomogenous nanoparticle assembly has only been explored. Many conventional nanoparticle assembly methods exist, but this work explores dielectrophoresis (DEP) as a new method. DEP is particle polarization via non-uniform electric fields while suspended in conductive fluids. Most prior DEP efforts involve microscale particles. Prior work on core-shell nanoparticle assemblies and separately, nanoparticle characterizations with dielectrophoresis and electrorotation, did not systematically explore particle size, dielectric properties (permittivity and electrical conductivity), shell thickness, particle concentration, medium conductivity, and frequency. This work is the first, to the best of our knowledge, to systematically examine these dielectrophoretic properties for core-shell nanoparticles. Further, we conduct a parametric fitting to traditional core-shell models. These biocompatible core-shell nanoparticles were studied to fill a knowledge gap in the DEP field. Experimental results (chapter 5) first examine medium conductivity, size and shell material dependencies of dielectrophoretic behaviors of spherical CSnp into 2D and 3D particle-assemblies. Chitosan (amino sugar) and poly-L-lysine (amino acid, PLL) CSnp shell materials were custom synthesized around a hollow (gas) core by utilizing a phospholipid micelle around a volatile fluid templating for the shell material; this approach proves to be novel and distinct from conventional core-shell models wherein a conductive core is coated with an insulative shell. Experiments were conducted within a 100 nl chamber housing 100 um wide Ti/Au quadrapole electrodes spaced 25 um apart. Frequencies from 100kHz to 80MHz at fixed local field of 5Vpp were tested with 10-5 and 10-3 S/m medium conductivities for 25 seconds. Dielectrophoretic responses of ~220 and 340(or ~400) nm chitosan or PLL CSnp were compiled as a function of medium conductivity, size and shell material. Experiments further examined shell thickness and particle concentration (chapter 6) dependencies on ~530 nm CSnp dielectrophoretic and electrorotational responses with ~30nm and ~80 nm shell thicknesses and at particle concentration count rates of 5000 +/- 500, 10000 +/- 500, and 15000 +/- 500 counts per second. Using similar experimental conditions, both dielectrophoretic and electrorotational CSnp responses were compiled versus frequency, shell thickness, and particle concentration. Knowledge gained from this study includes a unique resonance-like dielectrophoretic and electrorotational spectrum, which is significantly distinct from other cells and particles. CSnp dielectric properties were then calculated by parametrically fitting parameters to an existing core-shell model. The optimum conductivity and relative permittivity for the core and the shell are 1E-15 S/m, 1, 0.6 S/m, and 90, respectively. These properties can be exploited to rapidly assemble these unique core-shell particles for future structural color production in fabrics, vehicle, and wall painting.

Shell stability and conditions analyzed using a new method of extracting shell areal density maps from spectrally resolved images of direct-drive inertial confinement fusion implosions

DOE PAGES

Johns, H. M.; Mancini, R. C.; Nagayama, T.; ...

2016-01-25

In warm target direct-drive inertial confinement fusion implosion experiments performed at the OMEGA laser facility, plastic micro-balloons doped with a titanium tracer layer in the shell and filled with deuterium gas were imploded using a low-adiabat shaped laser pulse. Continuum radiation emitted in the core is transmitted through the tracer layer and the resulting spectrum recorded with a gated multi-monochromatic x-ray imager (MMI). Titanium K-shell line absorption spectra observed in the data are due to transitions in L-shell titanium ions driven by the backlighting continuum. The MMI data consist of an array of spectrally resolved images of the implosion. Thesemore » 2-D space-resolved titanium spectral features constrain the plasma conditions and areal density of the titanium doped region of the shell. The MMI data were processed to obtain narrow-band images and space resolved spectra of titanium spectral features. Shell areal density maps, ρL(x,y), extracted using a new method using both narrow-band images and space resolved spectra are confirmed to be consistent within uncertainties. We report plasma conditions in the titanium-doped region of electron temperature (Te) = 400 ± 28 eV, electron number density (N e) = 8.5 × 10 24 ± 2.5 × 10 24 cm –3, and average areal density = 86 ± 7 mg/cm 2. Fourier analysis of areal density maps reveals shell modulations caused by hydrodynamic instability growth near the fuel-shell interface in the deceleration phase. We observe significant structure in modes l = 2–9, dominated by l = 2. We extract a target breakup fraction of 7.1 ± 1.5% from our Fourier analysis. Furthermore, a new method for estimating mix width is evaluated against existing literature and our target breakup fraction. We estimate a mix width of 10.5 ±1 μm.« less

Measurement of the structure function of the nearly free neutron using spectator tagging in inelastic H 2 ( e , e ' p s ) X scattering with CLAS

DOE PAGES

Tkachenko, S.; Baillie, N.; Kuhn, S. E.; ...

2014-04-24

In this study, much less is known about neutron structure than that of the proton due to the absence of free neutron targets. Neutron information is usually extracted from data on nuclear targets such as deuterium, requiring corrections for nuclear binding and nucleon off-shell effects. These corrections are model dependent and have significant uncertainties, especially for large values of the Bjorken scaling variable x. As a consequence, the same data can lead to different conclusions, for example, about the behavior of the d quark distribution in the proton at large x.

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+.

Image analysis method to quantify the effect of different treatments on the visual meat/shell ratio of half-shelled green lipped mussels (Perna canaliculus).

PubMed

Kim, Min Geun; Alçiçek, Zayde; Balaban, Murat O; Atar, Hasan Huseyin

2014-04-01

Aquacultured green lipped mussel (Perna canaliculus) is the New Zealand export leader of seafood in terms of weight. Different treatments shrink mussel meat differently and affect the consumer perception of half-shelled mussels. In order to quantify this, digital images of half-shelled green lipped mussels subjected to two postharvest treatments (ultrahigh pressure (UHP) and heat treatment (HT)) and raw controls were taken. The ratio of the view area of the meat to that of the shell (labelled as 'visual condition index' (VCI)) was measured using image analysis. A polygonal region of interest was defined on the image to depict the boundary of the meat and to calculate the view area. Raw mussels had a VCI of 85%. HT mussels had a much reduced VCI of 41%, indicating shrinkage of the meat due to heat. UHP treatment used as a shucking method resulted in a VCI of 83%. Since VCI is one measure of quality for the consumer, this quantitative method can be used in the optimization of shucking treatment (HT or UHP). VCI can be used to optimize postharvest treatments to minimize meat shrinkage. This method can also be applied to other shellfish such as oysters and clams. © 2013 Society of Chemical Industry.

The IPEA dilemma in CASPT2† †Electronic supplementary information (ESI) available: Original data (Table S1) and additional comments for the literature survey; note on symmetry (Table S2), geometries (Table S3), data (Tables S4–S6) and comments (Section S2) for calculations on di-/triatomic molecules; results (Tables S7–S25) and comments (Section S3) for calculations on the organic molecular data set. See DOI: 10.1039/c6sc03759c Click here for additional data file.

PubMed Central

Zobel, J. Patrick

2017-01-01

Multi-configurational second order perturbation theory (CASPT2) has become a very popular method for describing excited-state properties since its development in 1990. To account for systematic errors found in the calculation of dissociation energies, an empirical correction applied to the zeroth-order Hamiltonian, called the IPEA shift, was introduced in 2004. The errors were attributed to an unbalanced description of open-shell versus closed-shell electronic states and is believed to also lead to an underestimation of excitation energies. Here we show that the use of the IPEA shift is not justified and the IPEA should not be used to calculate excited states, at least for organic chromophores. This conclusion is the result of three extensive analyses. Firstly, we survey the literature for excitation energies of organic molecules that have been calculated with the unmodified CASPT2 method. We find that the excitation energies of 356 reference values are negligibly underestimated by 0.02 eV. This value is an order of magnitude smaller than the expected error based on the calculation of dissociation energies. Secondly, we perform benchmark full configuration interaction calculations on 137 states of 13 di- and triatomic molecules and compare the results with CASPT2. Also in this case, the excited states are underestimated by only 0.05 eV. Finally, we perform CASPT2 calculations with different IPEA shift values on 309 excited states of 28 organic small and medium-sized organic chromophores. We demonstrate that the size of the IPEA correction scales with the amount of dynamical correlation energy (and thus with the size of the system), and gets immoderate already for the molecules considered here, leading to an overestimation of the excitation energies. It is also found that the IPEA correction strongly depends on the size of the basis set. The dependency on both the size of the system and of the basis set, contradicts the idea of a universal IPEA shift which is able to compensate for systematic CASPT2 errors in the calculation of excited states. PMID:28572908

ZnSe based semiconductor core-shell structures: From preparation to application

NASA Astrophysics Data System (ADS)

Sun, Chengcheng; Gu, Yarong; Wen, Weijia; Zhao, Lijuan

2018-07-01

Inorganic core-shell semiconductor materials have attracted increasing interest in recent years because of the unique structure, stable chemical properties and high performance in devices. With special properties such as a direct band-gap and excellent photoelectrical characteristics, ZnSe based semiconductor core-shell structures are promising materials for applications in such fields as photocatalysts, light-emitting diodes, solar cells, photodetectors, biomedical science and so on. However, few reviews on ZnSe based semiconductor core-shell structures have been reported so far. Therefore this manuscript mainly focuses on the research activities on ZnSe based semiconductor core-shell composites including various preparation methods and the applications of these core-shell structures, especially in photocatalysts, light emitting, solar cells and photodetectors. The possibilities and limitations of studies on ZnSe based semiconductor core-shell composites are also highlighted.

Exciton in a spherical core/shell nanostructure: Influence of surface ligand

NASA Astrophysics Data System (ADS)

Anitha, B.; Nithiananthi, P.

2018-04-01

Studies on exciton in an inverted type I spherical GaAs/Al0.3Ga0.7As core/shell nanostructure (CSN) are made using variational method. Dielectric constant and effective mass mismatches of the core and shell materials are considered. The effect of core and the shell dimensions on the exciton binding energy (BE) are analyzed for different shell (Rs) and core radii (Rc). It is observed that with the core and the shell inducement, significant change in BE can be achieved. In addition, the influence of ligand enclosureon the BE as a function of shell thickness (ST) is reviewed. The result exhibits that the presence of ligand considerably affects the BE. Further the transmission probability of exciton for various Rc and Rs are reported. The notable changes are compared and examined with and without ligand inclusion.

Forced vibrations of a two-layered shell in the case of viscous resistance

NASA Astrophysics Data System (ADS)

Aghalovyan, L. A.; Ghulghazaryan, L. G.

2018-04-01

Forced vibrations of a two-layered orthotropic shell are studied in the case of viscous resistance in the lower layer of the shell. Two versions of spatial boundary conditions on the upper surface of the shell are posed, and the displacement vector is given on the lower surface. An asymptotic method is used to solve the corresponding dynamic equations and relations of the three-dimensional problem of elasticity. The amplitudes of the forced vibrations are determined, and the resonance conditions are established.

Introduction of biotin or folic acid into polypyrrole magnetite core-shell nanoparticles

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

Nan, Alexandrina; Turcu, Rodica; Liebscher, Jürgen

2013-11-13

In order to contribute to the trend in contemporary research to develop magnetic core shell nanoparticles with better properties (reduced toxicity, high colloidal and chemical stability, wide scope of application) in straightforward and reproducible methods new core shell magnetic nanoparticles were developed based on polypyrrole shells functionalized with biotin and folic acid. Magnetite nanoparticles stabilized by sebacic acid were used as magnetic cores. The morphology of magnetite was determined by transmission electron microscopy TEM, while the chemical structure investigated by FT-IR.

Validation of annual growth rings in freshwater mussel shells using cross dating .Can

Treesearch

Andrew L. Rypel; Wendell R. Haag; Robert H. Findlay

2009-01-01

We examined the usefulness of dendrochronological cross-dating methods for studying long-term, interannual growth patterns in freshwater mussels, including validation of annual shell ring formation. Using 13 species from three rivers, we measured increment widths between putative annual rings on shell thin sections and then removed age-related variation by...

Direct Correlation of Excitonics with Efficiency in a Core-Shell Quantum Dot Solar Cell.

PubMed

Dana, Jayanta; Maiti, Sourav; Tripathi, Vaidehi S; Ghosh, Hirendra N

2018-02-16

Shell thickness dependent band-gap engineering of quasi type II core-shell material with higher carrier cooling time, lower interfacial defect states, and longer charge carrier recombination time can be a promising candidate for both photocatalysis and solar cell. In the present investigation, colloidal CdSe@CdS core-shells with different shell thickness (2, 4 and 6 monolayer CdS) were synthesized through hot injection method and have been characterized by high resolution transmission electron microscope (HRTEM) followed by steady state absorption and luminescence techniques. Ultrafast transient absorption (TA) studies suggest longer carrier cooling, lower interfacial surface states, and slower carrier recombination time in CdSe@CdS core-shell with increasing shell thickness. By TA spectroscopy, the role of CdS shell in power conversion efficiency (PCE) has been explained in detail. The measured PCE was found to initially increase and then decrease with increasing shell thickness. Shell thickness has been optimized to maximize the efficiency after correlating the shell controlled carrier cooling and recombination with PCE values and a maximum PCE of 3.88 % was obtained with 4 monolayers of CdS shell, which is found to be 57 % higher than compared to bare CdSe QDs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Antifungal Potential and Antioxidant Efficacy in the Shell Extract of Cocos nucifera (L.) (Arecaceae) against Pathogenic Dermal Mycosis

PubMed Central

Khalid Thebo, Nasreen; Ahmed Simair, Altaf; Sughra Mangrio, Ghulam; Ansari, Khalil Ahmed; Ali Bhutto, Aijaz; Lu, Changrui; Ali Sheikh, Wazir

2016-01-01

Background: Coconut is a tropical fruit well known for its essential oils that have been recognized for their biological activities since ancient times. There have been no previous investigations on the essential oils from coconut shells. Method: The shell extract of Cocos nucifera (L.) was prepared by the Soxhlet method and total phenolic content (TPC) in the extract was determined by Folin-Ciocalteu (FC) assay. The antioxidant potential of the coconut shell extract was evaluated by using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay. Minimum inhibitory concentration (MIC) of the extract was determined by the strip method against clinically isolated dermal mycosis of 20 infected patients. Result: Total antioxidant activity varied from 92.32% to 94.20% and total phenolic content was found at 5.33 ± 0.02 mg/g in the coconut shell extract. The extract was found to be most effective as an antifungal against human pathogenic fungi, including A. niger, A. flavus, T. rubrum, M. canis, M. gypseum, A. fumigates, T. mentagrophyte and T. vercossum. The crude shell extract was highly effective against all dermal mycosis tested with the MIC ranging from 62 mm to 90 mm, whereas all fungal samples showed good inhibitory effect. Conclusion: The results of the present study provide a potential cure for microbial infections. PMID:28930122

Whole-Brain In-vivo Measurements of the Axonal G-Ratio in a Group of 37 Healthy Volunteers

PubMed Central

Mohammadi, Siawoosh; Carey, Daniel; Dick, Fred; Diedrichsen, Joern; Sereno, Martin I.; Reisert, Marco; Callaghan, Martina F.; Weiskopf, Nikolaus

2015-01-01

The g-ratio, quantifying the ratio between the inner and outer diameters of a fiber, is an important microstructural characteristic of fiber pathways and is functionally related to conduction velocity. We introduce a novel method for estimating the MR g-ratio non-invasively across the whole brain using high-fidelity magnetization transfer (MT) imaging and single-shell diffusion MRI. These methods enabled us to map the MR g-ratio in vivo across the brain's prominent fiber pathways in a group of 37 healthy volunteers and to estimate the inter-subject variability. Effective correction of susceptibility-related distortion artifacts was essential before combining the MT and diffusion data, in order to reduce partial volume and edge artifacts. The MR g-ratio is in good qualitative agreement with histological findings despite the different resolution and spatial coverage of MRI and histology. The MR g-ratio holds promise as an important non-invasive biomarker due to its microstructural and functional relevance in neurodegeneration. PMID:26640427

Curvature, metric and parametrization of origami tessellations: theory and application to the eggbox pattern.

PubMed

Nassar, H; Lebée, A; Monasse, L

2017-01-01

Origami tessellations are particular textured morphing shell structures. Their unique folding and unfolding mechanisms on a local scale aggregate and bring on large changes in shape, curvature and elongation on a global scale. The existence of these global deformation modes allows for origami tessellations to fit non-trivial surfaces thus inspiring applications across a wide range of domains including structural engineering, architectural design and aerospace engineering. The present paper suggests a homogenization-type two-scale asymptotic method which, combined with standard tools from differential geometry of surfaces, yields a macroscopic continuous characterization of the global deformation modes of origami tessellations and other similar periodic pin-jointed trusses. The outcome of the method is a set of nonlinear differential equations governing the parametrization, metric and curvature of surfaces that the initially discrete structure can fit. The theory is presented through a case study of a fairly generic example: the eggbox pattern. The proposed continuous model predicts correctly the existence of various fittings that are subsequently constructed and illustrated.

Curvature, metric and parametrization of origami tessellations: theory and application to the eggbox pattern

NASA Astrophysics Data System (ADS)

Nassar, H.; Lebée, A.; Monasse, L.

2017-01-01

Origami tessellations are particular textured morphing shell structures. Their unique folding and unfolding mechanisms on a local scale aggregate and bring on large changes in shape, curvature and elongation on a global scale. The existence of these global deformation modes allows for origami tessellations to fit non-trivial surfaces thus inspiring applications across a wide range of domains including structural engineering, architectural design and aerospace engineering. The present paper suggests a homogenization-type two-scale asymptotic method which, combined with standard tools from differential geometry of surfaces, yields a macroscopic continuous characterization of the global deformation modes of origami tessellations and other similar periodic pin-jointed trusses. The outcome of the method is a set of nonlinear differential equations governing the parametrization, metric and curvature of surfaces that the initially discrete structure can fit. The theory is presented through a case study of a fairly generic example: the eggbox pattern. The proposed continuous model predicts correctly the existence of various fittings that are subsequently constructed and illustrated.

"Observation Obscurer" - Time Series Viewer, Editor and Processor

NASA Astrophysics Data System (ADS)

Andronov, I. L.

The program is described, which contains a set of subroutines suitable for East viewing and interactive filtering and processing of regularly and irregularly spaced time series. Being a 32-bit DOS application, it may be used as a default fast viewer/editor of time series in any compute shell ("commander") or in Windows. It allows to view the data in the "time" or "phase" mode, to remove ("obscure") or filter outstanding bad points; to make scale transformations and smoothing using few methods (e.g. mean with phase binning, determination of the statistically opti- mal number of phase bins; "running parabola" (Andronov, 1997, As. Ap. Suppl, 125, 207) fit and to make time series analysis using some methods, e.g. correlation, autocorrelation and histogram analysis: determination of extrema etc. Some features have been developed specially for variable star observers, e.g. the barycentric correction, the creation and fast analysis of "OC" diagrams etc. The manual for "hot keys" is presented. The computer code was compiled with a 32-bit Free Pascal (www.freepascal.org).

Half-lives of α -decaying nuclei in the medium-mass region within the transfer matrix method

NASA Astrophysics Data System (ADS)

Wu, Shuangxiang; Qian, Yibin; Ren, Zhongzhou

2018-05-01

The α -decay half-lives of even-even nuclei from Sm to Th are systematically studied based on the transfer matrix method. For the nuclear potential, a type of cosh-parametrized form is applied to calculate the penetration probability. Through a least-squares fit to experimental half-lives, we optimize the parameters in the potential and the α preformation factor P0. During this process, P0 is treated as a constant for each parent nucleus. Eventually, the calculated half-lives are found to agree well with the experimental data, which verifies the accuracy of the present approach. Furthermore, in recent studies, P0 is regulated by the shell and paring effects plus the nuclear deformation. To this end, P0 is here associated with the structural quantity, i.e., the microscopic correction of nuclear mass (Emic). In this way, the agreement between theory and experiment is greatly improved by more than 20%, validating the appropriate treatment of P0 in the scheme of Emic.

Calculations of atomic magnetic nuclear shielding constants based on the two-component normalized elimination of the small component method

NASA Astrophysics Data System (ADS)

Yoshizawa, Terutaka; Zou, Wenli; Cremer, Dieter

2017-04-01

A new method for calculating nuclear magnetic resonance shielding constants of relativistic atoms based on the two-component (2c), spin-orbit coupling including Dirac-exact NESC (Normalized Elimination of the Small Component) approach is developed where each term of the diamagnetic and paramagnetic contribution to the isotropic shielding constant σi s o is expressed in terms of analytical energy derivatives with regard to the magnetic field B and the nuclear magnetic moment 𝝁 . The picture change caused by renormalization of the wave function is correctly described. 2c-NESC/HF (Hartree-Fock) results for the σiso values of 13 atoms with a closed shell ground state reveal a deviation from 4c-DHF (Dirac-HF) values by 0.01%-0.76%. Since the 2-electron part is effectively calculated using a modified screened nuclear shielding approach, the calculation is efficient and based on a series of matrix manipulations scaling with (2M)3 (M: number of basis functions).

Recent progress in density functional theory

NASA Astrophysics Data System (ADS)

Truhlar, Donald

2014-03-01

Ongoing work involves several areas of density functional theory: new methods for computing electronic excitation energies, including a new way to remove spin contamination in the spin-flip Tamm-Dancoff approximation and a configuration-interaction-corrected Tamm-Dancoff Approximation for treating conical intersections; new ways to treat open-shell states, including a reinterpreted broken-symmetry method and multi-configuration Kohn-Sham theory; a new exchange-correlation functional; new tests of density functional theory against databases for electronic transition energies and molecules and solids containing metal atoms; and applications. A selection of results will be presented. I am grateful to the following collaborators for contributions to the ongoing work: Boris Averkiev, Rebecca Carlson, Laura Fernandez, Laura Gagliardi, Chad Hoyer, Francesc Illas, Miho Isegawa, Shaohong Li, Giovanni Li Manni, Sijie Luo, Dongxia Ma, Remi Maurice, Rubén Means-Pañeda, Roberto Peverati, Nora Planas, Prasenjit Seal, Pragya Verma, Bo Wang, Xuefei Xu, Ke R. Yang, Haoyu Yu, Wenjing Zhang, and Jingjing Zheng. Supported in part by the AFOSR and U.S. DOE.

X-ray transitions studied for decelerated bare and H-like uranium ions at the ESR electron cooler

NASA Astrophysics Data System (ADS)

Gumberidze, A.; Stöhlker, Th.; Bednarz, G.; Beyer, H. F.; Bosch, F.; Cai, X.; Hagmann, S.; Klepper, O.; Kozhuharov, C.; Liesen, D.; Ma, X.; Mokler, P. H.; Sierpowski, D.; Stachura, Z.; Steck, M.; Toleikis, S.; Warczak, A.; Zou, Y.

2003-05-01

Here we report on X-ray spectra induced by spontaneous capture of free electrons into decelerated bare- and hydrogen-like uranium ions which we measured recently at the cooler section of the ESR storage ring. The most intense lines observed in spectra can be attributed to direct transition of electrons into the K shell of the projectile ions and to characteristic L → K (Lyα) transitions. Radiative recombination lines into the K shell of bare and H-like uranium can be exploited for measuring the two-electron contribution to the ground state binding energy in helium-like uranium. The goal is to probe for high-Z ions bound-state QED corrections which are of the order of α2. Besides the dominant characteristic L → K transitions, the strongly reduced Bremsstrahlung (due to the low cooler voltage applied to the decelerated ions) allowed us to observe for the very first time RR transitions into the L shell as well as the balmer radiation located at the low-energy part of the spectra.

Thermodynamic Theory of Spherically Trapped Coulomb Clusters

NASA Astrophysics Data System (ADS)

Wrighton, Jeffrey; Dufty, James; Bonitz, Michael; K"{A}Hlert, Hanno

2009-11-01

The radial density profile of a finite number of identical charged particles confined in a harmonic trap is computed over a wide ranges of temperatures (Coulomb coupling) and particle numbers. At low temperatures these systems form a Coulomb crystal with spherical shell structure which has been observed in ultracold trapped ions and in dusty plasmas. The shell structure is readily reproduced in simulations. However, analytical theories which used a mean field approachfootnotetext[1]C. Henning et al., Phys. Rev. E 74, 056403 (2006) or a local density approximationfootnotetext[2]C. Henning et al., Phys. Rev. E 76, 036404 (2007) have, so far, only been able to reproduce the average density profile. Here we present an approach to Coulomb correlations based on the hypernetted chain approximation with additional bridge diagrams. It is demonstrated that this model reproduces the correct shell structure within a few percent and provides the basis for a thermodynamic theory of Coulomb clusters in the strongly coupled fluid state.footnotetext[3]J. Wrighton, J.W. Dufty, H. K"ahlert and M. Bonitz, J. Phys. A 42, 214052 (2009) and Phys. Rev. E (2009) (to be submitted)

Impact of aragonite saturation state changes on migratory pteropods

PubMed Central

Comeau, Steeve; Gattuso, Jean-Pierre; Nisumaa, Anne-Marin; Orr, James

2012-01-01

Thecosome pteropods play a key role in the food web of various marine ecosystems and they calcify, secreting the unstable CaCO3 mineral aragonite to form their shell material. Here, we have estimated the effect of ocean acidification on pteropod calcification by exploiting empirical relationships between their gross calcification rates (CaCO3 precipitation) and aragonite saturation state Ωa, combined with model projections of future Ωa. These were corrected for modern model-data bias and taken over the depth range where pteropods are observed to migrate vertically. Results indicate large reductions in gross calcification at temperate and high latitudes. Over much of the Arctic, the pteropod Limacina helicina will become unable to precipitate CaCO3 by the end of the century under the IPCC SRES A2 scenario. These results emphasize concerns over the future of shelled pteropods, particularly L. helicina in high latitudes. Shell-less L. helicina are not known to have ever existed nor would we expect them to survive. Declines of pteropod populations could drive dramatic ecological changes in the various pelagic ecosystems in which they play a critical role. PMID:21849324

Far-infrared data for symbiotic stars. II - The IRAS survey observations

NASA Technical Reports Server (NTRS)

Kenyon, S. J.; Fernandez-Castro, T.; Stencel, R. E.

1988-01-01

IRAS survey data for all known symbiotic binaries are reported. S type systems have 25 micron excesses much larger than those of single red giant stars, suggesting that these objects lose mass more rapidly than do normal giants. D type objects have far-IR colors similar to those of Mira variables, implying mass-loss rate of about 10 to the -6th solar masses/yr. The near-IR extinctions of the D types indicate that their Mira components are enshrouded in optically thick dust shells, while their hot companions lie outside the shells. If this interpretation of the data is correct, then the very red near-IR colors of D type symbiotic stars are caused by extreme amounts of dust absorption rather than dust emission. The small group of D prime objects possesses far-IR colors resembling those of compact planetary nebulae or extreme OH/IR stars. It is speculated that these binaries are not symbiotic stars at all, but contain a hot compact star and an exasymptotic branch giant which is in the process of ejecting a planetary nebula shell.

Singlet oxygen generation of photosensitizers effectively activated by Nd3+-doped upconversion nanoparticles of luminescence intensity enhancing with shell thickness decreasing

NASA Astrophysics Data System (ADS)

Zou, Haixia; Jin, Fengmin; Song, Xiaoyan; Xing, Jinfeng

2017-04-01

The introduction of a thick shell structure has been widely used to enhance the emission intensity of upconversion nanoparticles (UCNPs). However, a thick shell could increase the distance between UCNPs and photosensitizers, which is not favourable to the generation of singlet oxygen (1O2) in photodynamic therapy (PDT) due to the low fluorescence resonance energy transfer (FRET) efficiency. In this study, we used a facile method to prepare UCNPs that the emission intensity could increase with the shell thickness decreasing, which facilitated the efficient FRET between UCNPs and photosensitizers. In detail, the Nd3+-doped UCNPs with different dopant concentration of Yb3+ were prepared and characterized firstly. The Ir/g (intensity of red luminescence to green luminescence) was tuned to increase largely by precisely controlling Yb3+ concentration in core-shell, which could make UCNPs effectively activate methylene blue (MB). Then, a unique procedure was used to prepare NaYF4:Yb/Er/Nd@NaYF4:Nd (Yb3+:30%) core-shell nanoparticles with different shell thickness by tuning the amount of the core. The upconversion luminescence (UCL) intensity of those UCNPs enhanced dramatically with the shell thickness decreasing. Furthermore, UCNPs and MB were encapsulated into SiO2 nanoparticles. FRET efficiency between UCNPs and MB largely increased with the shell thickness of UCNPs decreasing. Correspondingly, the efficiency of 1O2 generation obviously increased. We provided a new method to optimize the UCL intensity and FRET efficiency at the same time to produce 1O2 efficiently.

Biomimetic synthesis of chiral erbium-doped silver/peptide/silica core-shell nanoparticles (ESPN)

NASA Astrophysics Data System (ADS)

Mantion, Alexandre; Graf, Philipp; Florea, Ileana; Haase, Andrea; Thünemann, Andreas F.; Mašić, Admir; Ersen, Ovidiu; Rabu, Pierre; Meier, Wolfgang; Luch, Andreas; Taubert, Andreas

2011-12-01

Peptide-modified silver nanoparticles have been coated with an erbium-doped silica layer using a method inspired by silica biomineralization. Electron microscopy and small-angle X-ray scattering confirm the presence of an Ag/peptide core and silica shell. The erbium is present as small Er2O3 particles in and on the silica shell. Raman, IR, UV-Vis, and circular dichroism spectroscopies show that the peptide is still present after shell formation and the nanoparticles conserve a chiral plasmon resonance. Magnetic measurements find a paramagnetic behavior. In vitro tests using a macrophage cell line model show that the resulting multicomponent nanoparticles have a low toxicity for macrophages, even on partial dissolution of the silica shell.Peptide-modified silver nanoparticles have been coated with an erbium-doped silica layer using a method inspired by silica biomineralization. Electron microscopy and small-angle X-ray scattering confirm the presence of an Ag/peptide core and silica shell. The erbium is present as small Er2O3 particles in and on the silica shell. Raman, IR, UV-Vis, and circular dichroism spectroscopies show that the peptide is still present after shell formation and the nanoparticles conserve a chiral plasmon resonance. Magnetic measurements find a paramagnetic behavior. In vitro tests using a macrophage cell line model show that the resulting multicomponent nanoparticles have a low toxicity for macrophages, even on partial dissolution of the silica shell. Electronic supplementary information (ESI) available: Figures S1 to S12, Tables S1 and S2. See DOI: 10.1039/c1nr10930h

The study of stiffness modulus values for AC-WC pavement

NASA Astrophysics Data System (ADS)

Lubis, AS; Muis, Z. A.; Iskandar, T. D.

2018-02-01

One of the parameters of the asphalt mixture in order for the strength and durability to be achieved as required is the stress-and-strain showing the stiffness of a material. Stiffness modulus is a very necessary factor that will affect the performance of asphalt pavements. If the stiffness modulus value decreases there will be a cause of aging asphalt pavement crack easily when receiving a heavy load. The high stiffness modulus asphalt concrete causes more stiff and resistant to bending. The stiffness modulus value of an asphalt mixture material can be obtained from the theoretical (indirect methods) and laboratory test results (direct methods). For the indirect methods used Brown & Brunton method, and Shell Bitumen method; while for the direct methods used the UMATTA tool. This study aims to determine stiffness modulus values for AC-WC pavement. The tests were conducted in laboratory that used 3 methods, i.e. Brown & Brunton Method, Shell Bitumen Method and Marshall Test as a substitute tool for the UMATTA tool. Hotmix asphalt made from type AC-WC with pen 60/70 using a mixture of optimum bitumen content was 5.84% with a standard temperature variation was 60°C and several variations of temperature that were 30, 40, 50, 70 and 80°C. The stiffness modulus value results obtained from Brown & Brunton Method, Shell Bitumen Method and Marshall Test which were 1374,93 Mpa, 235,45 Mpa dan 254,96 Mpa. The stiffness modulus value decreases with increasing temperature of the concrete asphalt. The stiffness modulus value from the Bitumen Shell method and the Marshall Test has a relatively similar value.The stiffness modulus value from the Brown & Brunton method is greater than the Bitumen Shell method and the Marshall Test, but can not measure the stiffness modulus value at temperature above 80°C.

Helicity statistics in homogeneous and isotropic turbulence and turbulence models

NASA Astrophysics Data System (ADS)

Sahoo, Ganapati; De Pietro, Massimo; Biferale, Luca

2017-02-01

We study the statistical properties of helicity in direct numerical simulations of fully developed homogeneous and isotropic turbulence and in a class of turbulence shell models. We consider correlation functions based on combinations of vorticity and velocity increments that are not invariant under mirror symmetry. We also study the scaling properties of high-order structure functions based on the moments of the velocity increments projected on a subset of modes with either positive or negative helicity (chirality). We show that mirror symmetry is recovered at small scales, i.e., chiral terms are subleading and they are well captured by a dimensional argument plus anomalous corrections. These findings are also supported by a high Reynolds numbers study of helical shell models with the same chiral symmetry of Navier-Stokes equations.

Possibility of synthesizing a doubly magic superheavy nucleus

NASA Astrophysics Data System (ADS)

Aritomo, Y.

2007-02-01

The possibility of synthesizing a doubly magic superheavy nucleus, 298114184, is investigated on the basis of fluctuation-dissipation dynamics. In order to synthesize this nucleus, we must generate more neutron-rich compound nuclei because of the neutron emissions from excited compound nuclei. The compound nucleus 304114 has two advantages to achieving a high survival probability. First, because of low neutron separation energy and rapid cooling, the shell correction energy recovers quickly. Secondly, owing to neutron emissions, the neutron number in the nucleus approaches that of the double closed shell and the nucleus attains a large fission barrier. Because of these two effects, the survival probability of 304114 does not decrease until the excitation energy E*=50 MeV. These properties lead to a rather high evaporation residue cross section.

Electron Impact K-shell Ionization Cross Sections at high energies

NASA Astrophysics Data System (ADS)

Haque, A. K. F.; Sarker, M. S. I.; Patoary, M. A. R.; Shahjahan, M.; Ismail Hossain, M.; Alfaz Uddin, M.; Basak, A. K.; Saha, Bidhan

2008-10-01

A simple modification of the empirical model of Deutsh et. al. [1] by incorporating both the ionic [2] and relativistic corrections [3] is proposed for evaluating the electron impact K -shell ionization cross sections of neutral atomic targets. Present results for 30 atomic targets with atomic number Z=1 -- 92 for incident energies up to E=2 GeV, agree well with available experimental cross sections. Comparisons with other theoretical findings will also be presented at the conference. [1] H. Deutsh, K. Becker, T. D. Mark, Int. J. Mass Spect. 177, 47 (1998). [2] M. A. Uddin, A. K. F. Haque, M. M. Billah, A. K. Basak, K. R. Karim, B. C. Saha, Phys. Rev. A 71, 032715 (2005).; Phys. Rev. A 73, 012708 (2006). [3] M. Gryzinski, Phys. Rev 138, 336 (1965).

Perspectives on land snails - sampling strategies for isotopic analyses

NASA Astrophysics Data System (ADS)

Kwiecien, Ola; Kalinowski, Annika; Kamp, Jessica; Pellmann, Anna

2017-04-01

Since the seminal works of Goodfriend (1992), several substantial studies confirmed a relation between the isotopic composition of land snail shells (d18O, d13C) and environmental parameters like precipitation amount, moisture source, temperature and vegetation type. This relation, however, is not straightforward and site dependent. The choice of sampling strategy (discrete or bulk sampling) and cleaning procedure (several methods can be used, but comparison of their effects in an individual shell has yet not been achieved) further complicate the shell analysis. The advantage of using snail shells as environmental archive lies in the snails' limited mobility, and therefore an intrinsic aptitude of recording local and site-specific conditions. Also, snail shells are often found at dated archaeological sites. An obvious drawback is that shell assemblages rarely make up a continuous record, and a single shell is only a snapshot of the environmental setting at a given time. Shells from archaeological sites might represent a dietary component and cooking would presumably alter the isotopic signature of aragonite material. Consequently, a proper sampling strategy is of great importance and should be adjusted to the scientific question. Here, we compare and contrast different sampling approaches using modern shells collected in Morocco, Spain and Germany. The bulk shell approach (fine-ground material) yields information on mean environmental parameters within the life span of analyzed individuals. However, despite homogenization, replicate measurements of bulk shell material returned results with a variability greater than analytical precision (up to 2‰ for d18O, and up to 1‰ for d13C), calling for caution analyzing only single individuals. Horizontal high-resolution sampling (single drill holes along growth lines) provides insights into the amplitude of seasonal variability, while vertical high-resolution sampling (multiple drill holes along the same growth line) produces replicable results. This reproducibility enables not only sequential testing of isotopic changes in shells exposed to artificially elevated temperatures, but also systematic assessment of different cleaning methods. Goodfriend, 1992. The use of land snail shells in paleoenvironmental reconstruction, EPSL 11, 655-685

Interface engineered ferrite@ferroelectric core-shell nanostructures: A facile approach to impart superior magneto-electric coupling

NASA Astrophysics Data System (ADS)

Abraham, Ann Rose; Raneesh, B.; Das, Dipankar; Oluwafemi, Oluwatobi Samuel; Thomas, Sabu; Kalarikkal, Nandakumar

2018-04-01

The electric field control of magnetism in multiferroics is attractive for the realization of ultra-fast and miniaturized low power device applications like nonvolatile memories. Room temperature hybrid multiferroic heterostructures with core-shell (0-0) architecture (ferrite core and ferroelectric shell) were developed via a two-step method. High-Resolution Transmission Electron Microscopy (HRTEM) images confirm the core-shell structure. The temperature dependant magnetization measurements and Mossbauer spectra reveal superparamagnetic nature of the core-shell sample. The ferroelectric hysteresis loops reveal leaky nature of the samples. The results indicate the promising applications of the samples for magneto-electric memories and spintronics.

Size-Dependent Specific Surface Area of Nanoporous Film Assembled by Core-Shell Iron Nanoclusters

DOE PAGES

Antony, Jiji; Nutting, Joseph; Baer, Donald R.; ...

2006-01-01

Nmore » anoporous films of core-shell iron nanoclusters have improved possibilities for remediation, chemical reactivity rate, and environmentally favorable reaction pathways. Conventional methods often have difficulties to yield stable monodispersed core-shell nanoparticles. We produced core-shell nanoclusters by a cluster source that utilizes combination of Fe target sputtering along with gas aggregations in an inert atmosphere at 7 ∘ C . Sizes of core-shell iron-iron oxide nanoclusters are observed with transmission electron microscopy (TEM). The specific surface areas of the porous films obtained from Brunauer-Emmett-Teller (BET) process are size-dependent and compared with the calculated data.« less

Porous Core-Shell Nanostructures for Catalytic Applications

NASA Astrophysics Data System (ADS)

Ewers, Trevor David

Porous core-shell nanostructures have recently received much attention for their enhanced thermal stability. They show great potential in the field of catalysis, as reactant gases can diffuse in and out of the porous shell while the core particle is protected from sintering, a process in which particles coalesce to form larger particles. Sintering is a large problem in industry and is the primary cause of irreversible deactivation. Despite the obvious advantages of high thermal stability, porous core-shell nanoparticles can be developed to have additional interactive properties from the combination of the core and shell together, rather than just the core particle alone. This dissertation focuses on developing new porous core-shell systems in which both the core and shell take part in catalysis. Two types of systems are explored; (1) yolk-shell nanostructures with reducible oxide shells formed using the Kirkendall effect and (2) ceramic-based porous oxide shells formed using sol-gel chemistry. Of the Kirkendall-based systems, Au FexOy and Cu CoO were synthesized and studied for catalytic applications. Additionally, ZnO was explored as a potential shelling material. Sol-gel work focused on optimizing synthetic methods to allow for coating of small gold particles, which remains a challenge today. Mixed metal oxides were explored as a shelling material to make dual catalysts in which the product of a reaction on the core particle becomes a reactant within the shell.

Theoretical Basis and Correct Explanation of the Periodic System: Review and Update

ERIC Educational Resources Information Center

Schwarz, W. H. Eugen; Rich, Ronald L.

2010-01-01

Long-standing questions on the theoretical basis of the periodic system have been answered in recent years. A specific type of periodicity is imposed on all elements by the main groups just before and after the noble gasses. The upper "n"p shells of these elements are unique because of their stabilized energies and the large gaps to the next…

Calabi-Yau structures on categories of matrix factorizations

NASA Astrophysics Data System (ADS)

Shklyarov, Dmytro

2017-09-01

Using tools of complex geometry, we construct explicit proper Calabi-Yau structures, that is, non-degenerate cyclic cocycles on differential graded categories of matrix factorizations of regular functions with isolated critical points. The formulas involve the Kapustin-Li trace and its higher corrections. From the physics perspective, our result yields explicit 'off-shell' models for categories of topological D-branes in B-twisted Landau-Ginzburg models.

Renormalization of generalized scalar Duffin-Kemmer-Petiau electrodynamics

NASA Astrophysics Data System (ADS)

Bufalo, R.; Cardoso, T. R.; Nogueira, A. A.; Pimentel, B. M.

2018-05-01

We establish the multiplicative renormalization procedure of generalized scalar Duffin-Kemmer-Petiau electrodynamics (GSDKP4 ) in the mass shell. We show an explicit calculation of the first radiative corrections (one-loop) associated with the photon propagator, meson propagator, vertex function, and photon-photon four-point function utilizing the dimensional regularization method, where the gauge symmetry is manifest. As we will see, one of the consequences of the study is that, from the complete photon propagator renormalization condition, imposing that it behaves as a massless field, an energy range where GSDKP4 is well defined is m2≪k2

Potential energy surfaces of Polonium isotopes

NASA Astrophysics Data System (ADS)

Nerlo-Pomorska, B.; Pomorski, K.; Schmitt, C.; Bartel, J.

2015-11-01

The evolution of the potential energy landscape is analysed in detail for ten even-even polonium isotopes in the mass range 188\\lt A\\lt 220 as obtained within the macroscopic-microscopic approach, relying on the Lublin-Strasbourg drop model and the Yukawa-folded single-particle energies for calculating the microscopic shell and pairing corrections. A variant of the modified Funny-Hills nuclear shape parametrization is used to efficiently map possible fission paths. The approach explains the main features of the fragment partition as measured in low-energy fission along the polonium chain. The latter lies in a transitional region of the nuclear chart, and will be essential to consistently understand the evolution of fission properties from neutron-deficient mercury to heavy actinides. The ability of our method to predict fission observables over such an extended region looks promising.

Optoelectronic and magnetic properties of Mn-doped indium tin oxide: A first-principles study

NASA Astrophysics Data System (ADS)

Nath Tripathi, Madhvendra; Saeed Bahramy, Mohammad; Shida, Kazuhito; Sahara, Ryoji; Mizuseki, Hiroshi; Kawazoe, Yoshiyuki

2012-10-01

The manganese doped indium tin oxide (ITO) has integrated magnetics, electronics, and optical properties for next generation multifunctional devices. Our first-principles density functional theory (DFT) calculations show that the manganese atom replaces b-site indium atom, located at the second coordination shell of the interstitial oxygen in ITO. It is also found that both anti-ferromagnetic and ferromagnetic behaviors are realizable. The calculated magnetic moment of 3.95μB/Mn as well as the high transmittance of ˜80% for a 150 nm thin film of Mn doped ITO is in good agreement with the experimental data. The inclusion of on-site Coulomb repulsion corrections via DFT + U methods turns out to improve the optical behavior of the system. The optical behaviors of this system reveal its suitability for the magneto-opto-electronic applications.

Study on the structural transition of CoNi nanoclusters using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Xia, J. H.; Gao, Xue-Mei

2018-04-01

In this work, the segregation and structural transitions of CoNi clusters, between 1500 and 300 K, have been investigated using molecular dynamics simulations with the embedded atom method potential. The radial distribution function was used to analyze the segregation during the cooling processes. It is found that Co atoms segregate to the inside and Ni atoms preferably to the surface during the cooling processes, the Co147Ni414 cluster becomes a core-shell structure. We discuss the structural transition according to the pair-correction function and pair-analysis technique, and finally the liquid Co147Ni414 crystallizes into the coexistence of hcp and fcc structure at 300 K. At the same time, it is found that the frozen structure of CoNi cluster is strongly related to the Co concentration.

FASOR - A second generation shell of revolution code

NASA Technical Reports Server (NTRS)

Cohen, G. A.

1978-01-01

An integrated computer program entitled Field Analysis of Shells of Revolution (FASOR) currently under development for NASA is described. When completed, this code will treat prebuckling, buckling, initial postbuckling and vibrations under axisymmetric static loads as well as linear response and bifurcation under asymmetric static loads. Although these modes of response are treated by existing programs, FASOR extends the class of problems treated to include general anisotropy and transverse shear deformations of stiffened laminated shells. At the same time, a primary goal is to develop a program which is free of the usual problems of modeling, numerical convergence and ill-conditioning, laborious problem setup, limitations on problem size and interpretation of output. The field method is briefly described, the shell differential equations are cast in a suitable form for solution by this method and essential aspects of the input format are presented. Numerical results are given for both unstiffened and stiffened anisotropic cylindrical shells and compared with previously published analytical solutions.

Optimal design of geodesically stiffened composite cylindrical shells

NASA Technical Reports Server (NTRS)

Gendron, G.; Guerdal, Z.

1992-01-01

An optimization system based on the finite element code Computations Structural Mechanics (CSM) Testbed and the optimization program, Automated Design Synthesis (ADS), is described. The optimization system can be used to obtain minimum-weight designs of composite stiffened structures. Ply thickness, ply orientations, and stiffener heights can be used as design variables. Buckling, displacement, and material failure constraints can be imposed on the design. The system is used to conduct a design study of geodesically stiffened shells. For comparison purposes, optimal designs of unstiffened shells and shells stiffened by rings and stingers are also obtained. Trends in the design of geodesically stiffened shells are identified. An approach to include local stress concentrations during the design optimization process is then presented. The method is based on a global/local analysis technique. It employs spline interpolation functions to determine displacements and rotations from a global model which are used as 'boundary conditions' for the local model. The organization of the strategy in the context of an optimization process is described. The method is validated with an example.

Multi-dimensional construction of a novel active yolk@conductive shell nanofiber web as a self-standing anode for high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Liu, Hao; Chen, Luyi; Liang, Yeru; Fu, Ruowen; Wu, Dingcai

2015-11-01

A novel active yolk@conductive shell nanofiber web with a unique synergistic advantage of various hierarchical nanodimensional objects including the 0D monodisperse SiO2 yolks, the 1D continuous carbon shell and the 3D interconnected non-woven fabric web has been developed by an innovative multi-dimensional construction method, and thus demonstrates excellent electrochemical properties as a self-standing LIB anode.A novel active yolk@conductive shell nanofiber web with a unique synergistic advantage of various hierarchical nanodimensional objects including the 0D monodisperse SiO2 yolks, the 1D continuous carbon shell and the 3D interconnected non-woven fabric web has been developed by an innovative multi-dimensional construction method, and thus demonstrates excellent electrochemical properties as a self-standing LIB anode. Electronic supplementary information (ESI) available: Experimental details and additional information about material characterization. See DOI: 10.1039/c5nr06531c

Facile synthesis and microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere and multi-shelled NiO hollow sphere

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

Wu, Hongjing, E-mail: wuhongjing@mail.nwpu.edu.cn; Wu, Guanglei, E-mail: wuguanglei@mail.xjtu.edu.cn; Wu, Qiaofeng

2014-11-15

We reported the preparation of C@Ni–NiO core–shell hybrid solid spheres or multi-shelled NiO hollow spheres by combining a facile hydrothermal route with a calcination process in H{sub 2} or air atmosphere, respectively. The synthesized C@Ni–NiO core–shell solid spheres with diameters of approximately 2–6 μm were in fact built from dense NiO nanoparticles coated by random two-dimensional metal Ni nanosheets without any visible pores. The multi-shelled NiO hollow spheres were built from particle-like ligaments and there are a lot of pores with size of several nanometers on the surface. Combined Raman spectra with X-ray photoelectron spectra (XPS), it suggested that themore » defects in the samples play a limited role in the dielectric loss. Compared with the other samples, the permeability of the samples calcined in H{sub 2} and air was increased slightly and the natural resonance frequency shifted to higher frequency (7, 11 and 14 GHz, respectively), leading to an enhancement of microwave absorption property. For the sample calcined in H{sub 2}, an optimal reflection loss less than − 10 was obtained at 7 GHz with a matching thickness of 5.0 mm. Our study demonstrated the potential application of C@Ni–NiO core–shell hybrid solid sphere or multi-shelled NiO hollow sphere as a more efficient electromagnetic (EM) wave absorber. - Highlights: • C@Ni–NiO core–shell hybrid solid sphere was synthesized by a facile method. • Multi-shelled NiO hollow sphere was synthesized by a facile method. • It suggested that the defects in the samples play a limited role in dielectric loss. • The permeability of the samples calcined in H{sub 2} and air was increased. • Microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere was investigated.« less

Centrifugal Deposited Au-Pd Core-Shell Nanoparticle Film for Room-Temperature Optical Detection of Hydrogen Gas.

PubMed

Song, Han; Luo, Zhijie; Liu, Mingyao; Zhang, Gang; Peng, Wang; Wang, Boyi; Zhu, Yong

2018-05-06

In the present work, centrifugal deposited Au-Pd core-shell nanoparticle (NP) film was proposed for the room-temperature optical detection of hydrogen gas. The size dimension of 44, 48, 54, and 62 nm Au-Pd core-shell nanocubes with 40 nm Au core were synthesized following a solution-based seed-mediated growth method. Compared to a pure Pd NP, this core-shell structure with an inert Au core could decrease the H diffusion length in the Pd shell. Through a modified centrifugal deposition process, continues film samples with different core-shell NPs were deposited on 10 mm diameter quartz substrates. Under various hydrogen concentration conditions, the optical response properties of these samples were characterized by an intensity-based optical fiber bundle sensor. Experimental results show that the continues film that was composed of 62 nm Au-Pd core-shell NPs has achieved a stable and repeatable reflectance response with low zero drift in the range of 4 to 0.1% hydrogen after a stress relaxation mechanism at first few loading/unloading cycles. Because of the short H diffusion length due to the thinner Pd shell, the film sample composed of 44 nm Au-Pd NPs has achieved a dramatically decreased response/recovery time to 4 s/30 s. The experiments present the promising prospect of this simple method to fabricate optical hydrogen sensors with controllable high sensitivity and response rate at low cost.

The energy of a prolate spheroidal shell in a uniform magnetic field

NASA Astrophysics Data System (ADS)

Koksharov, Yu. A.

2017-04-01

The problem of the energy of a spheroidal magnetic shell, solved by methods of classical electrodynamics, arises, in particular, upon the study of thin-wall biocompatible microcapsules in connection with a pressing issue of targeted drug delivery. The drug inside a microcapsule should be released from the shell at a required instant of time by destroying the capsule's shell. The placement inside a shell of magnetic nanoparticles sensitive to an external magnetic field theoretically makes it possible to solve both problems: to transport a capsule to the required place and to destroy its shell. In particular, the shell can be destroyed under the action of internal stress when the shape of a capsule is changed. In this paper, the analysis of the model of a magnetic microcapsule in the form of a prolate spheroidal shell is performed and formulas for the magnetostatic and magnetic free energy when the magnetic field is directed along the major axis of the spheroid are derived.

Spherical silicon-shell photonic band gap structures fabricated by laser-assisted chemical vapor deposition

NASA Astrophysics Data System (ADS)

Wang, H.; Yang, Z. Y.; Lu, Y. F.

2007-02-01

Laser-assisted chemical vapor deposition was applied in fabricating three-dimensional (3D) spherical-shell photonic band gap (PBG) structures by depositing silicon shells covering silica particles, which had been self-assembled into 3D colloidal crystals. The colloidal crystals of self-assembled silica particles were formed on silicon substrates using the isothermal heating evaporation approach. A continuous wave Nd:YAG laser (1064nm wavelength) was used to deposit silicon shells by thermally decomposing disilane gas. Periodic silicon-shell/silica-particle PBG structures were obtained. By removing the silica particles enclosed in the silicon shells using hydrofluoric acid, hollow spherical silicon-shell arrays were produced. This technique is capable of fabricating structures with complete photonic band gaps, which is predicted by simulations with the plane wave method. The techniques developed in this study have the potential to flexibly engineer the positions of the PBGs by varying both the silica particle size and the silicon-shell thickness. Ellipsometry was used to investigate the specific photonic band gaps for both structures.

Al K x-ray production for incident /sup 16/O ions: The influence of target thickness effects on observed target x-ray yields

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

Gray, T.J.; Richard, P.; Gealy, G.

1979-04-01

Thin solid Al targets ranging in thickness from approx. 1 to 30 ..mu..g/cm/sup 2/ were bombarded by /sup 16/O ions wih incident energies from 0.25 to 2.25 MeV/amu. The effects of target thickness on the measured Al K x-ray yield for ions incident without an initial K-shell vacancy were determined. Comparisons of the data for Al K x-ray production in vanishingly thin targets (and 29-..mu..g/cm/sup 2/ targets) were made to perturbed-stationary-state calculations (PSS) for O ions on Al targets. The PSS calculations contained corrections for Coulomb deflection and binding energy (PSS(CB)) and for Coulomb deflection, binding energy, and polarization (PSS(CBP)).more » Further, two different PSS calculation procedures were employed: calculations without radial cutoffs employed in the binding-energy contribution (PSS), and calculations with radial cutoffs employed in the binding-energy correction (NPSS). The PSS(CBP) calculations agree with the measured Al K x-ray production cross section for data taken in the limit of a vanishingly thin target. The NPSS(CBP) calculations agree with the data taken for a 29-..mu..g/cm/sup 2/ Al target. The latter agreement is fortuitous, as the increase observed in the measured target x-ray yield for the 29-..mu..g/cm/sup 2/ target, in comparison to the yield extracted as rhox ..-->.. 0 at each bombarding energy, is due to K-shell--to--K-shell charge exchange. Comparisons are made with previously published data for /sup 16/O ions incident on finite-thickness Al targets.« less

Solar-thermal reaction processing

DOEpatents

Weimer, Alan W; Dahl, Jaimee K; Lewandowski, Allan A; Bingham, Carl; Raska Buechler, Karen J; Grothe, Willy

2014-03-18

In an embodiment, a method of conducting a high temperature chemical reaction that produces hydrogen or synthesis gas is described. The high temperature chemical reaction is conducted in a reactor having at least two reactor shells, including an inner shell and an outer shell. Heat absorbing particles are included in a gas stream flowing in the inner shell. The reactor is heated at least in part by a source of concentrated sunlight. The inner shell is heated by the concentrated sunlight. The inner shell re-radiates from the inner wall and heats the heat absorbing particles in the gas stream flowing through the inner shell, and heat transfers from the heat absorbing particles to the first gas stream, thereby heating the reactants in the gas stream to a sufficiently high temperature so that the first gas stream undergoes the desired reaction(s), thereby producing hydrogen or synthesis gas in the gas stream.

Pressurized electrolysis stack with thermal expansion capability

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

Bourgeois, Richard Scott

The present techniques provide systems and methods for mounting an electrolyzer stack in an outer shell so as to allow for differential thermal expansion of the electrolyzer stack and shell. Generally, an electrolyzer stack may be formed from a material with a high coefficient of thermal expansion, while the shell may be formed from a material having a lower coefficient of thermal expansion. The differences between the coefficients of thermal expansion may lead to damage to the electrolyzer stack as the shell may restrain the thermal expansion of the electrolyzer stack. To allow for the differences in thermal expansion, themore » electrolyzer stack may be mounted within the shell leaving a space between the electrolyzer stack and shell. The space between the electrolyzer stack and the shell may be filled with a non-conductive fluid to further equalize pressure inside and outside of the electrolyzer stack.« less

Numerical and experimental study on buckling and postbuckling behavior of cracked cylindrical shells

NASA Astrophysics Data System (ADS)

Saemi, J.; Sedighi, M.; Shariati, M.

2015-09-01

The effect of crack on load-bearing capacity and buckling behavior of cylindrical shells is an essential consideration in their design. In this paper, experimental and numerical buckling analysis of steel cylindrical shells of various lengths and diameters with cracks have been studied using the finite element method, and the effect of crack position, crack orientation and the crack length-to-cylindrical shell perimeter ( λ = a/(2 πr)) and shell length-to-diameter ( L/ D) ratios on the buckling and post-buckling behavior of cylindrical shells has been investigated. For several specimens, buckling test was performed using an INSTRON 8802 servo hydraulic machine, and the results of experimental tests were compared to numerical results. A very good correlation was observed between numerical simulation and experimental results. Finally, based on the experimental and numerical results, sensitivity of the buckling load to the shell length, crack length and orientation has also been investigated.

Ultrasonic approach to the synthesis of HMX@TATB core-shell microparticles with improved mechanical sensitivity.

PubMed

Huang, Bing; Hao, Xiaofei; Zhang, Haobin; Yang, Zhijian; Ma, Zhigang; Li, Hongzhen; Nie, Fude; Huang, Hui

2014-07-01

To improve the safety of sensitive explosive HMX while maintaining explosion performance, a moderately powerful but insensitive explosive TATB was used to coat HMX microparticles via a facile ultrasonic method. By using Estane as surface modifier and nano-sized TATB as the shell layer, the HMX@TATB core-shell microparticles with a monodisperse size and compact shell structure were successfully constructed. Both scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) results confirmed the formation of perfect core-shell structured composites. Based on a systematic and comparative study of the effect of experimental conditions, a possible formation mechanism of core-shell structure was proposed in detail. Moreover, the perfect core-shell HMX@TATB microparticles exhibited a unique thermal behavior and significantly improved mechanical sensitivity compared with that of the physical mixture. Copyright © 2014 Elsevier B.V. All rights reserved.

Recovery of salmonella serovar enteritidis from inoculated broiler hatching eggs using shell rinse and shell crush sampling methods

USDA-ARS?s Scientific Manuscript database

This study compared the recovery of Salmonella from hatching eggs using three sampling methods (eggshell rinsing, eggshell crush following a previous rinse, and eggshell crush without previous rinse). Eggshells were drop-inoculated with approximately 10, 100, or 1,000 cfu/eggshell of S. Enteritidis...

Preparation of yolk-shell MoS2 nanospheres covered with carbon shell for excellent lithium-ion battery anodes

NASA Astrophysics Data System (ADS)

Guo, Bangjun; Feng, Yu; Chen, Xiaofan; Li, Bo; Yu, Ke

2018-03-01

Molybdenum disulfide is regarded as one of the most promising electrode materials for high performance lithium-ion batteries. Designing firm basal structure is a key point to fully utilize the high capacity of layered MoS2 nanomaterials. Here, yolk-shell structured MoS2 nanospheres is firstly designed and fabricated to meet this needs. This unique yolk-shell nanospheres are transformed from solid nanospheres by a simply weak alkaline etching method. Then, the yolk-shell MoS2/C is synthesized by a facile process to protect the outside MoS2 shell and promote the conductivity. Taking advantages of high capacity and well-defined cavity space, allowing the core MoS2 to expand freely without breaking the outer shells, yolk-shell MoS2/C nanospheres delivers long cycle life (94% of capacity retained after 200 cycles) and high rate behaviour (830 mA h g-1 at 5 A g-1). This design of yolk-shell structure may set up a new strategy for preparing next generation anode materials for LIBs.

Interfacial effect on the structural and optical properties of pure SnO2 and dual shells (ZnO; SiO2) coated SnO2 core-shell nanospheres for optoelectronic applications

NASA Astrophysics Data System (ADS)

Selvi, N.; Sankar, S.; Dinakaran, K.

2014-12-01

Nanocrystallites of SnO2 core and dual shells (ZnO, SiO2) coated SnO2 core-shell nanospheres were successfully synthesized by co-precipitation method. The as prepared and annealed samples were characterized by X-ray diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR), High resolution transmission electron microscopy (HRTEM) and UV-Vis analysis. XRD pattern confirms the obtained SnO2 core with tetragonal rutile crystalline structure and the shell ZnO with hexagonal structure. FTIR result shows the functional groups present in the samples. The spherical morphology and the formation of the core-shell structures have been confirmed by HRTEM measurements. The UV-Vis showed that band gap is red shifted for as-prepared and the shells coated core-shell samples. From this investigation it can be concluded that the surface modification with different metal and insulating oxides strongly influences the optical properties of the core-shell materials which enhance their potential applications towards optical devices fabrication.

Solvation structure of the halides from x-ray absorption spectroscopy

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

Antalek, Matthew; Hedman, Britt; Sarangi, Ritimukta, E-mail: ritis@slac.stanford.edu

2016-07-28

Three-dimensional models for the aqueous solvation structures of chloride, bromide, and iodide are reported. K-edge extended X-ray absorption fine structure (EXAFS) and Minuit X-ray absorption near edge (MXAN) analyses found well-defined single shell solvation spheres for bromide and iodide. However, dissolved chloride proved structurally distinct, with two solvation shells needed to explain its strikingly different X-ray absorption near edge structure (XANES) spectrum. Final solvation models were as follows: iodide, 8 water molecules at 3.60 ± 0.13 Å and bromide, 8 water molecules at 3.40 ± 0.14 Å, while chloride solvation included 7 water molecules at 3.15 ± 0.10 Å, andmore » a second shell of 7 water molecules at 4.14 ± 0.30 Å. Each of the three derived solvation shells is approximately uniformly disposed about the halides, with no global asymmetry. Time-dependent density functional theory calculations simulating the chloride XANES spectra following from alternative solvation spheres revealed surprising sensitivity of the electronic state to 6-, 7-, or 8-coordination, implying a strongly bounded phase space for the correct structure during an MXAN fit. MXAN analysis further showed that the asymmetric solvation predicted from molecular dynamics simulations using halide polarization can play no significant part in bulk solvation. Classical molecular dynamics used to explore chloride solvation found a 7-water solvation shell at 3.12 (−0.04/+0.3) Å, supporting the experimental result. These experiments provide the first fully three-dimensional structures presenting to atomic resolution the aqueous solvation spheres of the larger halide ions.« less

The origin of extended interstellar shells around Wolf-Rayet stars having bright optical ring nebulae

NASA Technical Reports Server (NTRS)

Nichols, J. S.; Fesen, R. A.

1994-01-01

Investigations of the interstellar environment around Wolf-Rayet (WR) stars have lead to the discovery of extended shells of gas and dust 50-100 pc in diameter in the lines of sight toward three WR stars. In this paper, several origins for these extended shells are discussed. While positional coincidences cannot be excluded, the locations of the WR stars near the projected centers of the shells, the detection of only shortward-shifted, high-velocity UV absorption line components in their IUE spectra, plus commonality of some WR star properties which are rare in the general WR star population suggest some casual connections between the WR stars and formation of interstellar shells. To access whether the high-velocity UV interstellar absorption lines are a frequent phenomenon related to WR stellar winds, we present a survey of such features in all WR stars observed with IUE through 1991. Of 35 stars studied, only four are found to have components with velocity displacements greater than 45 km/s which are not attributable to previously identified OB association superbubbles. The means a surprising 82% of non-OB association WR stars show no evidence of high-velocity gas in their lines of sight at IUE's spectral resolution, suggesting that high-velocity interstellar absorption lines are not a common consequence of Wolf-Rayet star stellar winds alone. We review the properties of three WR stars (HD 50896, HD 96548, and HD 192163) which may reside inside extended interstellar shells and find that they are similar in terms of spectral class (WN5-8), presence of an optical ring nebula, and reported photometric variability. Evaluation of possible origins of the extended shells suggests these three stars are in a post X-ray binary stage of high-mass binary star evolution. If this is correct, then the large interstellar shells detected might be evidence of either supernova remnant shells generated by the explosion of the binary's primary star, or non-conservative mass transfer during a Roche Lobe overflow stage of the binary after the supernova explosion. In either of these cases the bright optical ring nebulae associated with these three WR stars may signify recent Roche Lobe overflows consistent with spectroscopic abundance analysis.

Generation of a mesoporous silica MSU shell onto solid core silica nanoparticles using a simple two-step sol-gel process.

PubMed

Allouche, Joachim; Dupin, Jean-Charles; Gonbeau, Danielle

2011-07-14

Silica core-shell nanoparticles with a MSU shell have been synthesized using several non-ionic poly(ethylene oxide) based surfactants via a two step sol-gel method. The materials exhibit a typical worm-hole pore structure and tunable pore diameters between 2.4 nm and 5.8 nm.

Modal sensing and control of paraboloidal shell structronic system

NASA Astrophysics Data System (ADS)

Yue, Honghao; Lu, Yifan; Deng, Zongquan; Tzou, Hornsen

2018-02-01

Paraboloidal shells of revolution are commonly used as important components in the field of advanced aerospace structures and aviation mechanical systems. This study is to investigate the modal sensing behavior and the modal vibration control effect of distributed PVDF patches laminated on the paraboloidal shell. A paraboloidal shell sensing and control testing platform is set up first. Frequencies of lower order modes of the shell are obtained with the PVDF sensor and compared with the previous testing results to prove its accuracy. Then sensor patches are laminated on different positions (or different sides) of the shell and tested to reveal the relation between the sensing behaviors and their locations. Finally, a mathematical model of the structronic system is built by parameter identifications and the transfer function is derived. Independent and coupled modal controllers are designed based on the pole placement method and modal vibration control experiments are performed. The amplitude suppression ratio of each mode controlled by the pole placement controller is calculated and compared with the results obtained by using a PPF controller. Advantages of both methods are concluded and suggestions are given on how to choose control algorithm for different purpose.

Palladium-platinum core-shell electrocatalysts for oxygen reduction reaction prepared with the assistance of citric acid

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

Zhang, Lulu; Su, Dong; Zhu, Shangqian

Core–shell structure is a promising alternative to solid platinum (Pt) nanoparticles as electrocatalyst for oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). A simple method of preparing palladium (Pd)–platinum (Pt) core–shell catalysts (Pd@Pt/C) in a gram-batch was developed with the assistance of citric acid. The Pt shell deposition involves three different pathways: galvanic displacement reaction between Pd atoms and Pt cations, chemical reduction by citric acid, and reduction by negative charges on Pd surfaces. The uniform ultrathin (~0.4 nm) Pt shell was characterized by in situ X-ray diffraction (XRD) and high-angle annular dark-field scanning transmission electron microscopymore » (HAADF-STEM) images combined with electron energy loss spectroscopy (EELS). Compared with state-of-the-art Pt/C, the Pd@Pt/C core–shell catalyst showed 4 times higher Pt mass activity and much better durability upon potential cycling. As a result, both the mass activity and durability were comparable to that of Pd@Pt/C synthesized by a Cu-mediated-Pt-displacement method, which is more complicated and difficult for mass production.« less

The Acoustical Properties of the Polyurethane Concrete Made of Oyster Shell Waste Comparing Other Concretes as Architectural Design Components

NASA Astrophysics Data System (ADS)

Setyowati, Erni; Hardiman, Gagoek; Purwanto

2018-02-01

This research aims to determine the acoustical properties of concrete material made of polyurethane and oyster shell waste as both fine aggregate and coarse aggregate comparing to other concrete mortar. Architecture needs aesthetics materials, so the innovation in architectural material should be driven through the efforts of research on materials for building designs. The DOE methods was used by mixing cement, oyster shell, sands, and polyurethane by composition of 160 ml:40 ml:100 ml: 120 ml respectively. Refer to the results of previous research, then cement consumption is reduced up to 20% to keep the concept of green material. This study compared three different compositions of mortars, namely portland cement concrete with gravel (PCG), polyurethane concrete of oyster shell (PCO) and concrete with plastics aggregate (PCP). The methods of acoustical tests were conducted refer to the ASTM E413-04 standard. The research results showed that polyurethane concrete with oyster shell waste aggregate has absorption coefficient 0.52 and STL 63 dB and has a more beautiful appearance when it was pressed into moulding. It can be concluded that polyurethane concrete with oyster shell aggregate (PCO) is well implemented in architectural acoustics-components.

Hybrid nanomaterial for stabilizing the antibiofilm activity of Eugenia carryophyllata essential oil.

PubMed

Grumezescu, Alexandru Mihai; Chifiriuc, Mariana Carmen; Saviuc, Crina; Grumezescu, Valentina; Hristu, Radu; Mihaiescu, Dan Eduard; Stanciu, George A; Andronescu, Ecaterina

2012-12-01

The aim of the present study was to demonstrate that Fe(3)O(4)/oleic acid core/shell nanostructures could be used as systems for stabilizing the Eugenia carryophyllata essential oil (EO) on catheter surface pellicles, in order to improve their resistance to fungal colonization. EO microwave assisted extraction was performed in a Neo-Clevenger (related) device and its chemical composition was settled by GC-MS analysis. Fe(3)O(4)/oleic acid-core/shell nanoparticles (NP) were obtained by a precipitation method under microwave condition. High resolution transmission electron microscopy (HR-TEM) was used as a primary characterization method. The NPs were processed to achieve a core/shell/EO coated-shell nanosystem further used for coating the inner surface of central venous catheter samples. The tested fungal strains have been recently isolated from different clinical specimens. The biofilm architecture was assessed by confocal laser scanning microscopy (CLSM). Our results claim the usage of hybrid nanomaterial (core/shell/coated-shell) for the stabilization of E. carryophyllata EO, which prevented or inhibited the fungal biofilm development on the functionalized catheter, highlighting the opportunity of using these nanosystems to obtain improved, anti-biofilm coatings for biomedical applications.

Palladium-platinum core-shell electrocatalysts for oxygen reduction reaction prepared with the assistance of citric acid

DOE PAGES

Zhang, Lulu; Su, Dong; Zhu, Shangqian; ...

2016-04-26

Core–shell structure is a promising alternative to solid platinum (Pt) nanoparticles as electrocatalyst for oxygen reduction reaction (ORR) in proton exchange membrane fuel cells (PEMFCs). A simple method of preparing palladium (Pd)–platinum (Pt) core–shell catalysts (Pd@Pt/C) in a gram-batch was developed with the assistance of citric acid. The Pt shell deposition involves three different pathways: galvanic displacement reaction between Pd atoms and Pt cations, chemical reduction by citric acid, and reduction by negative charges on Pd surfaces. The uniform ultrathin (~0.4 nm) Pt shell was characterized by in situ X-ray diffraction (XRD) and high-angle annular dark-field scanning transmission electron microscopymore » (HAADF-STEM) images combined with electron energy loss spectroscopy (EELS). Compared with state-of-the-art Pt/C, the Pd@Pt/C core–shell catalyst showed 4 times higher Pt mass activity and much better durability upon potential cycling. As a result, both the mass activity and durability were comparable to that of Pd@Pt/C synthesized by a Cu-mediated-Pt-displacement method, which is more complicated and difficult for mass production.« less

Numerical Simulation of the Layer-Bylayer Destruction of Cylindrical Shells Under Explosive Loading

NASA Astrophysics Data System (ADS)

Abrosimov, N. A.; Novoseltseva, N. A.

2015-09-01

A technique of numerical analysis of the influence of reinforcement structure on the nature of the dynamic response and the process of layer-by-layer destruction of layered fiberglass cylindrical shells under an axisymmetric internal explosive loading is elaborated. The kinematic model of deformation of the laminate package is based on a nonclassical theory of shells. The geometric dependences are based on simple quadratic relations of the nonlinear theory of elasticity. The relationship between the stress and strain tensors are established by using Hooke's law for orthotropic bodies with account of degradation of stiffness characteristics of the multilayer composite due to the local destruction of some its elementary layers. An energetically consistent system of dynamic equations for composite cylindrical shells is obtained by minimizing the functional of total energy of the shell as a three-dimensional body. The numerical method for solving the formulated initial boundary-value problem is based on an explicit variational-difference scheme. Results confirming the reliability of the method used to analyze the influence of reinforcement structure on the character of destruction and the bearing capacity of pulse-loaded cylindrical shells are presented.

On the Development of Multi-Step Inverse FEM with Shell Model

NASA Astrophysics Data System (ADS)

Huang, Y.; Du, R.

2005-08-01

The inverse or one-step finite element approach is increasingly used in the sheet metal stamping industry to predict strain distribution and the initial blank shape in the preliminary design stage. Based on the existing theory, there are two types of method: one is based on the principle of virtual work and the other is based on the principle of extreme work. Much research has been conducted to improve the accuracy of simulation results. For example, based on the virtual work principle, Batoz et al. developed a new method using triangular DKT shell elements. In this new method, the bending and unbending effects are considered. Based on the principle of extreme work, Majlessi and et al. proposed the multi-step inverse approach with membrane elements and applied it to an axis-symmetric part. Lee and et al. presented an axis-symmetric shell element model to solve the similar problem. In this paper, a new multi-step inverse method is introduced with no limitation on the workpiece shape. It is a shell element model based on the virtual work principle. The new method is validated by means of comparing to the commercial software system (PAMSTAMP®). The comparison results indicate that the accuracy is good.

ZnO/ZnSxSe1-x core/shell nanowire arrays as photoelectrodes with efficient visible light absorption

NASA Astrophysics Data System (ADS)

Wang, Zhenxing; Zhan, Xueying; Wang, Yajun; Safdar, Muhammad; Niu, Mutong; Zhang, Jinping; Huang, Ying; He, Jun

2012-08-01

ZnO/ZnSxSe1-x core/shell nanowires have been synthesized on n+-type silicon substrate via a two-step chemical vapor deposition method. Transmission electron microscopy reveals that ZnSxSe1-x can be deposited on the entire surface of ZnO nanowire, forming coaxial heterojunction along ZnO nanowire with very smooth shell surface and high shell thickness uniformity. The photoelectrode after deposition of the ternary alloy shell significantly improves visible light absorption efficiency. Electrochemical impedance spectroscopy results explicitly indicate that the introduction of ZnSxSe1-x shell to ZnO nanowires effectively improves the photogenerated charge separation process. Our finding opens up an efficient means for achieving high efficient energy conversion devices.

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.

Radiological responses of different types of Egyptian Mediterranean coastal sediments

NASA Astrophysics Data System (ADS)

El-Gamal, A.; Rashad, M.; Ghatass, Z.

2010-08-01

The aim of this study was to identify gamma self-absorption correction factors for different types of Egyptian Mediterranean coastal sediments. Self-absorption corrections based on direct transmission through different thicknesses of the most dominant sediment species have been tested against point sources with gamma-ray energies of 241Am, 137Cs and 60Co with 2% uncertainties. Black sand samples from the Rashid branch of the Nile River quantitatively absorbed the low energy of 241Am through a thickness of 5 cm. In decreasing order of gamma energy self-absorption of 241Am, the samples under investigation ranked black sand, Matrouh sand, Sidi Gaber sand, shells, Salloum sand, and clay. Empirical self-absorption correction formulas were also deduced. Chemical analyses such as pH, CaCO 3, total dissolved solids, Ca 2+, Mg 2+, CO 32-, HCO 3- and total Fe 2+ have been carried out for the sediments. The relationships between self absorption corrections and the other chemical parameters of the sediments were also examined.

Shell Layer Thickness-Dependent Photocatalytic Activity of Sputtering Synthesized Hexagonally Structured ZnO-ZnS Composite Nanorods

PubMed Central

Liang, Yuan-Chang; Lo, Ya-Ru; Wang, Chein-Chung; Xu, Nian-Cih

2018-01-01

ZnO-ZnS core-shell nanorods are synthesized by combining the hydrothermal method and vacuum sputtering. The core-shell nanorods with variable ZnS shell thickness (7–46 nm) are synthesized by varying ZnS sputtering duration. Structural analyses demonstrated that the as-grown ZnS shell layers are well crystallized with preferring growth direction of ZnS (002). The sputtering-assisted synthesized ZnO-ZnS core-shell nanorods are in a wurtzite structure. Moreover, photoluminance spectral analysis indicated that the introduction of a ZnS shell layer improved the photoexcited electron and hole separation efficiency of the ZnO nanorods. A strong correlation between effective charge separation and the shell thickness aids the photocatalytic behavior of the nanorods and improves their photoresponsive nature. The results of comparative degradation efficiency toward methylene blue showed that the ZnO-ZnS nanorods with the shell thickness of approximately 17 nm have the highest photocatalytic performance than the ZnO-ZnS nanorods with other shell layer thicknesses. The highly reusable catalytic efficiency and superior photocatalytic performance of the ZnO-ZnS nanorods with 17 nm-thick ZnS shell layer supports their potential for environmental applications. PMID:29316671

LQR Control of Shell Vibrations Via Piezoceramic Actuators

NASA Technical Reports Server (NTRS)

delRosario, R. C. H.; Smith, R. C.

1997-01-01

A model-based Linear Quadratic Regulator (LQR) method for controlling vibrations in cylindrical shells is presented. Surface-mounted piezo-ceramic patches are employed as actuators which leads to unbounded control input operators. Modified Donnell-Mushtari shell equations incorporating strong or Kelvin-Voigt damping are used to model the system. The model is then abstractly formulated in terms of sesquilinear forms. This provides a framework amenable for proving model well-posedness and convergence of LQR gains using analytic semigroup results combined with LQR theory for unbounded input operators. Finally, numerical examples demonstrating the effectiveness of the method are presented.

/sub 1//sup 1/H/sup +/- and /sub 2//sup 4/He/sup +/-induced M-shell x-ray-production cross sections for selected elements in the rare-earth region

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

Mehta, R.; Duggan, J.L.; Price, J.L.

1983-12-01

The measurements of M-shell x-ray-production cross sections induced by /sub 1//sup 1/H/sup +/ and /sub 2//sup 4/He/sup +/ ions are compared to the first-Born-approximation and ECPSSR (energy loss, Coulomb-deflection effects; perturbed-stationary-state approximation, with relativistic corrections) theories. Most of the reported experimental data were measured in our laboratory and the other measurements were taken from the literature. The data from our laboratory were for incident H/sup +/ and He/sup +/ ions in the energy range from 0.25 to 2.5 MeV. The M-shell x-ray-production cross sections were measured for the following thin targets: /sub 59/Pr, /sub 60/Nd, /sub 63/Eu, /sub 64/Gd, /submore » 66/Dy, /sub 67/Ho, /sub 68/Er, /sub 70/Yb, and /sub 72/Hf. The data from the literature were for protons and He/sup +/ ions in the energy range from 30 keV to 40 MeV. These data were for the following elements: /sub 54/Xe, /sub 59/Pr, /sub 60/Nd, /sub 62/Sm, /sub 63/Eu, /sub 64/Gd, /sub 65/Tb, /sub 66/Dy, /sub 67/Ho, /sub 68/Er, /sub 70/Yb, /sub 72/Hf, /sub 73/Ta, /sub 74/W, /sub 78/Pt, /sub 79/Au, /sub 80/Hg, /sub 82/Pb, /sub 83/Bi, and /sub 92/U. The first-Born-approximation calculations of the ionization cross section were made using the plane-wave Born approximation for direct ionization and the Oppenheimer-Brinkman-Kramers approximation of Nikolaev for electron capture. The ECPSSR theory of Brandt and Lapicki (Phys. Rev. A 23, 1717 (1981)) goes beyond the first Born approximation and accounts for the energy loss, Coulomb deflection, and relativistic effects in the perturbed-stationary-state theory. The first Born approximation overpredicts all measurements. The ECPSSR theory predicts the M-shell production cross sections correctly for Z/sub 2/>70 and energies per ..mu..>0.25 MeV/..mu...« less

Experimental demonstration of direct L-shell x-ray fluorescence imaging of gold nanoparticles using a benchtop x-ray source.

PubMed

Manohar, Nivedh; Reynoso, Francisco J; Cho, Sang Hyun

2013-08-01

To develop a proof-of-principle L-shell x-ray fluorescence (XRF) imaging system that locates and quantifies sparse concentrations of gold nanoparticles (GNPs) using a benchtop polychromatic x-ray source and a silicon (Si)-PIN diode x-ray detector system. 12-mm-diameter water-filled cylindrical tubes with GNP concentrations of 20, 10, 5, 0.5, 0.05, 0.005, and 0 mg∕cm3 served as calibration phantoms. An imaging phantom was created using the same cylindrical tube but filled with tissue-equivalent gel containing structures mimicking a GNP-loaded blood vessel and approximately 1 cm3 tumor. Phantoms were irradiated by a 3-mm-diameter pencil-beam of 62 kVp x-rays filtered by 1 mm aluminum. Fluorescence∕scatter photons from phantoms were detected at 90° with respect to the beam direction using a Si-PIN detector placed behind a 2.5-mm-diameter lead collimator. The imaging phantom was translated horizontally and vertically in 0.3-mm steps to image a 6 mm×15 mm region of interest (ROI). For each phantom, the net L-shell XRF signal from GNPs was extracted from background, and then corrected for detection efficiency and in-phantom attenuation using a fluorescence-to-scatter normalization algorithm. XRF measurements with calibration phantoms provided a calibration curve showing a linear relationship between corrected XRF signal and GNP mass per imaged voxel. Using the calibration curve, the detection limit (at the 95% confidence level) of the current experimental setup was estimated to be a GNP mass of 0.35 μg per imaged voxel (1.73×10(-2) cm3). A 2D XRF map of the ROI was also successfully generated, reasonably matching the known spatial distribution as well as showing the local variation of GNP concentrations. L-shell XRF imaging can be a highly sensitive tool that has the capability of simultaneously imaging the spatial distribution and determining the local concentration of GNPs presented on the order of parts-per-million level within subcentimeter-sized ex vivo samples and superficial tumors during preclinical animal studies.

Sonochemiluminescence observation of lipid- and polymer-shelled ultrasound contrast agents in 1.2 MHz focused ultrasound field.

PubMed

Qiao, Yangzi; Cao, Hua; Zhang, Shusheng; Yin, Hui; Wan, Mingxi

2013-01-01

Ultrasound contrast agents (UCAs) are frequently added into the focused ultrasound field as cavitation nuclei to enhance the therapeutic efficiency. Since their presence will distort the pressure field and make the process unpredictable, comprehension of their behaviors especially the active zone spatial distribution is an important part of better monitoring and using of UCAs. As shell materials can strongly alter the acoustic behavior of UCAs, two different shells coated UCAs, lipid-shelled and polymer-shelled UCAs, in a 1.2 MHz focused ultrasound field were studied by the Sonochemiluminescence (SCL) method and compared. The SCL spatial distribution of lipid-shelled group differed from that of polymer-shelled group. The shell material and the character of focused ultrasound field work together to the SCL distribution, causing the lipid-shelled group to have a maximum SCL intensity in pre-focal region at lower input power than that of polymer-shelled group, and a brighter SCL intensity in post-focal region at high input power. The SCL inactive area of these two groups both increased with the input power. The general behavior of the UCAs can be studied by both the average SCL intensity and the backscatter signals. As polymer-shelled UCAs are more resistant to acoustic pressure, they had a higher destruction power and showed less reactivation than lipid-shelled ones. Copyright © 2012 Elsevier B.V. All rights reserved.

A higher-order theory for geometrically nonlinear analysis of composite laminates

NASA Technical Reports Server (NTRS)

Reddy, J. N.; Liu, C. F.

1987-01-01

A third-order shear deformation theory of laminated composite plates and shells is developed, the Navier solutions are derived, and its finite element models are developed. The theory allows parabolic description of the transverse shear stresses, and therefore the shear correction factors of the usual shear deformation theory are not required in the present theory. The theory also accounts for the von Karman nonlinear strains. Closed-form solutions of the theory for rectangular cross-ply and angle-ply plates and cross-ply shells are developed. The finite element model is based on independent approximations of the displacements and bending moments (i.e., mixed finite element model), and therefore, only C sup o -approximation is required. The finite element model is used to analyze cross-ply and angle-ply laminated plates and shells for bending and natural vibration. Many of the numerical results presented here should serve as references for future investigations. Three major conclusions resulted from the research: First, for thick laminates, shear deformation theories predict deflections, stresses and vibration frequencies significantly different from those predicted by classical theories. Second, even for thin laminates, shear deformation effects are significant in dynamic and geometrically nonlinear analyses. Third, the present third-order theory is more accurate compared to the classical and firt-order theories in predicting static and dynamic response of laminated plates and shells made of high-modulus composite materials.

Landscape of α preformation probability for even-even nuclei in medium mass region

NASA Astrophysics Data System (ADS)

Qian, Yibin; Ren, Zhongzhou

2018-03-01

The behavior of α cluster preformation probability, in α decay, is a rich source of the structural information, such as the clustering, pairing, and shell evolution in heavy nuclei. Meanwhile, the experimental α decay data have been very recently compiled in the newest table NUBASE2016. Through a least square fit to the available experimental data of nuclear charge radii plus the neutron skin thickness, we obtain a new set of parameters for the two-parameter Fermi nucleon density distributions in target nuclei. Subsequently, we make use of these refreshed inputs, involved in the density-dependent cluster model, to extract α preformation factor ({P}α ) for a large range of medium α emitters with N < 126 from the newest data table. Besides checking the supposed smooth pattern of P α in the open-shell region, the special attention has been paid to those exotic α-decaying nuclei around the Z = 50 and N = 82 shell closures. Moreover, the correlation between the α preformation factor and the microscopic correction of nuclear mass, corresponding to the effect of shell and pairing plus deformation, is in particular investigated, to pursue the valuable knowledge of the P α pattern over the nuclide chart. The feature of α preformation factor along with the neutron-proton asymmetry is then detected and discussed to some extent.

Calculation of load distribution in stiffened cylindrical shells

NASA Technical Reports Server (NTRS)

Ebner, H; Koller, H

1938-01-01

Thin-walled shells with strong longitudinal and transverse stiffening (for example, stressed-skin fuselages and wings) may, under certain simplifying assumptions, be treated as static systems with finite redundancies. In this report the underlying basis for this method of treatment of the problem is presented and a computation procedure for stiffened cylindrical shells with curved sheet panels indicated. A detailed discussion of the force distribution due to applied concentrated forces is given, and the discussion illustrated by numerical examples which refer to an experimentally determined circular cylindrical shell.

Probability-based methodology for buckling investigation of sandwich composite shells with and without cut-outs

NASA Astrophysics Data System (ADS)

Alfano, M.; Bisagni, C.

2017-01-01

The objective of the running EU project DESICOS (New Robust DESign Guideline for Imperfection Sensitive COmposite Launcher Structures) is to formulate an improved shell design methodology in order to meet the demand of aerospace industry for lighter structures. Within the project, this article discusses the development of a probability-based methodology developed at Politecnico di Milano. It is based on the combination of the Stress-Strength Interference Method and the Latin Hypercube Method with the aim to predict the bucking response of three sandwich composite cylindrical shells, assuming a loading condition of pure compression. The three shells are made of the same material, but have different stacking sequence and geometric dimensions. One of them presents three circular cut-outs. Different types of input imperfections, treated as random variables, are taken into account independently and in combination: variability in longitudinal Young's modulus, ply misalignment, geometric imperfections, and boundary imperfections. The methodology enables a first assessment of the structural reliability of the shells through the calculation of a probabilistic buckling factor for a specified level of probability. The factor depends highly on the reliability level, on the number of adopted samples, and on the assumptions made in modeling the input imperfections. The main advantage of the developed procedure is the versatility, as it can be applied to the buckling analysis of laminated composite shells and sandwich composite shells including different types of imperfections.

Fabrication and Characterization of Novel Electrothermal Self-Healing Microcapsules with Graphene/Polymer Hybrid Shells for Bitumenious Material.

PubMed

Wang, Xinyu; Guo, Yandong; Su, Junfeng; Zhang, Xiaolong; Wang, Yingyuan; Tan, Yiqiu

2018-06-09

Self-healing bituminous material has been a hot research topic in self-healing materials, and this smart self-healing approach is a promising a revolution in pavement material technology. Bitumen has a self-healing naturality relating to temperature, healing time, and aging degree. To date, heat induction and microencapsulation rejuvenator are two feasible approaches, which have been put into real applications. However, both methods have disadvantages limiting their practical results and efficiency. It will be an ideal method combining the advantages and avoiding the disadvantages of the above two methods at the same time. The aim of this work was to synthesize and characterize electrothermal self-healing microcapsules containing bituminous rejuvenator with graphene/organic nanohybrid structure shells. The microcapsules owned electric conductivity capability because of the advent of graphene, and realized the self-healing through the two approaches of heat induction and rejuvenation. The microcapsule shells were fabricated using a strength hexamethoxymethylmelamine (HMMM) resin and graphene by two-step hybrid polymerization. Experimental tests were carried out to character the morphology, integrity, and shell structure. It was found that the electric charge balance determined the graphene/HMMM microstructure. The graphene content in shells could not be greatly increased under an electrostatic balance in emulsion. X-ray photoelectron spectroscopy (XPS), Energy dispersive spectrometer (EDS), Transmission electron microscope (TEM) and Atomic force microscopy (AFM) results indicated that the graphene had deposited on shells. TGA/DTG tests implied that the thermal decomposition temperature of microcapsules with graphene had increased to about 350 °C. The thermal conductivity of microcapsules had been sharply increased to about 8.0 W/m²·K with 2.0 wt % graphene in shells. At the same time, electrical resistivity of microcapsules/bitumen samples had a decrease with more graphene in bitumen.

Tailored Core Shell Cathode Powders for Solid Oxide Fuel Cells

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

Swartz, Scott

2015-03-23

In this Phase I SBIR project, a “core-shell” composite cathode approach was evaluated for improving SOFC performance and reducing degradation of lanthanum strontium cobalt ferrite (LSCF) cathode materials, following previous successful demonstrations of infiltration approaches for achieving the same goals. The intent was to establish core-shell cathode powders that enabled high performance to be obtained with “drop-in” process capability for SOFC manufacturing (i.e., rather than adding an infiltration step to the SOFC manufacturing process). Milling, precipitation and hetero-coagulation methods were evaluated for making core-shell composite cathode powders comprised of coarse LSCF “core” particles and nanoscale “shell” particles of lanthanum strontiummore » manganite (LSM) or praseodymium strontium manganite (PSM). Precipitation and hetero-coagulation methods were successful for obtaining the targeted core-shell morphology, although perfect coverage of the LSCF core particles by the LSM and PSM particles was not obtained. Electrochemical characterization of core-shell cathode powders and conventional (baseline) cathode powders was performed via electrochemical impedance spectroscopy (EIS) half-cell measurements and single-cell SOFC testing. Reliable EIS testing methods were established, which enabled comparative area-specific resistance measurements to be obtained. A single-cell SOFC testing approach also was established that enabled cathode resistance to be separated from overall cell resistance, and for cathode degradation to be separated from overall cell degradation. The results of these EIS and SOFC tests conclusively determined that the core-shell cathode powders resulted in significant lowering of performance, compared to the baseline cathodes. Based on the results of this project, it was concluded that the core-shell cathode approach did not warrant further investigation.« less

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.

Photocatalytic activity of Ag/ZnO core-shell nanoparticles with shell thickness as controlling parameter under green environment

NASA Astrophysics Data System (ADS)

Rajbongshi, Himanshu; Bhattacharjee, Suparna; Datta, Pranayee

2017-02-01

Plasmonic Ag/ZnO core-shell nanoparticles have been synthesized via a simple two-step wet chemical method for application in Photocatalysis. The morphology, size, crystal structure, composition and optical properties of the nanoparticles are investigated by x-ray diffraction, transmission electron microscopy (TEM), FTIR spectroscopy, ultraviolet-visible (UV-Vis) absorption spectroscopy and photoluminescence (PL) spectroscopy. The shell thicknesses are varied by varying the concentration of zinc nitrate hexa-hydrate and triethanolamine. The ZnO shell coating over Ag core enhances the charge separation, whereas the larger shell thickness and increased refractive index of surrounding medium cause red shifts of surface Plasmon resonance (SPR) peak of Ag core. The photoluminescence (PL) spectra of Ag/ZnO core-shell show that the larger shell thickness quenches the near band edge UV emission of ZnO. The electrochemical impedance spectra (EIS) i.e. Nyquist plots also confirm the higher charge transfer efficiency of the Ag/ZnO core-shell nanoparticles. The Photocatalytic activities of Ag/ZnO core-shell nanoparticles are investigated by the degradation of methylene blue (MB) dye under direct sunlight irradiation. Compared to pure ZnO nanoparticles (NPs), Ag/ZnO core-shell NPs display efficient sunlight plasmonic photocatalytic activity because of the influence of SPR of Ag core and the electron sink effect. The photocatalytic activity of Ag/ZnO core-shell NPs is found to be enhanced with increase in shell thickness.

Evaluation of different approaches to modeling the second-order ionospheric delay on GPS measurements

NASA Astrophysics Data System (ADS)

Garcia-Fernandez, M.; Desai, S. D.; Butala, M. D.; Komjathy, A.

2013-12-01

This work evaluates various approaches to compute the second order ionospheric correction (SOIC) to Global Positioning System (GPS) measurements. When estimating the reference frame using GPS, applying this correction is known to primarily affect the realization of the origin of the Earth's reference frame along the spin axis (Z coordinate). Therefore, the Z translation relative to the International Terrestrial Reference Frame 2008 is used as the metric to evaluate various published approaches to determining the slant total electron content (TEC) for the SOIC: getting the slant TEC from GPS measurements, and using the vertical total electron content (TEC) given by a Global Ionospheric Model (GIM) to transform it to slant TEC via a mapping function. All of these approaches agree to 1 mm if the ionospheric shell height needed in GIM-based approaches is set to 600 km. The commonly used shell height of 450 km introduces an offset of 1 to 2 mm. When the SOIC is not applied, the Z axis translation can be reasonably modeled with a ratio of +0.23 mm/TEC units of the daily median GIM vertical TEC. Also, precise point positioning (PPP) solutions (positions and clocks) determined with and without SOIC differ by less than 1 mm only if they are based upon GPS orbit and clock solutions that have consistently applied or not applied the correction, respectively. Otherwise, deviations of few millimeters in the north component of the PPP solutions can arise due to inconsistencies with the satellite orbit and clock products, and those deviations exhibit a dependency on solar cycle conditions.

Optimization of temperature and time for drying and carbonization to increase calorific value of coconut shell using Taguchi method

NASA Astrophysics Data System (ADS)

Musabbikhah, Saptoadi, H.; Subarmono, Wibisono, M. A.

2016-03-01

Fossil fuel still dominates the needs of energy in Indonesia for the past few years. The increasing scarcity of oil and gas from non-renewable materials results in an energy crisis. This condition turns to be a serious problem for society which demands immediate solution. One effort which can be taken to overcome this problem is the utilization and processing of biomass as renewable energy by means of carbonization. Thus, it can be used as qualified raw material for production of briquette. In this research, coconut shell is used as carbonized waste. The research aims at improving the quality of coconut shell as the material for making briquettes as cheap and eco-friendly renewable energy. At the end, it is expected to decrease dependence on oil and gas. The research variables are drying temperature and time, carbonization time and temperature. The dependent variable is calorific value of the coconut shell. The method used in this research is Taguchi Method. The result of the research shows thus variables, have a significant contribution on the increase of coconut shell's calorific value. It is proven that the higher thus variables are higher calorific value. Before carbonization, the average calorific value of coconut shell reaches 4,667 call/g, and a significant increase is notable after the carbonization. The optimization is parameter setting of A2B3C3D3, which means that the drying temperature is 105 °C, the drying time is 24 hours, the carbonization temperature is 650 °C and carbonization time is 120 minutes. The average calorific value is approximately 7,744 cal/g. Therefore, the increase of the coconut shell's calorific value after the carbonization is 3,077 cal/g or approximately 60 %. The charcoal of carbonized coconut shell has met the requirement of SNI, thus it can be used as raw material in making briquette which can eventually be used as cheap and environmental friendly fuel.

Applications to car bodies - Generalized layout design of three-dimensional shells

NASA Technical Reports Server (NTRS)

Fukushima, Junichi; Suzuki, Katsuyuki; Kikuchi, Noboru

1993-01-01

We shall describe applications of the homogenization method, formulated in Part 1, to design layout of car bodies represented by three-dimensional shell structures based on a multi-loading optimization.

Simulation of Non-Newtonian Emulsion Flows in Microchannels

NASA Astrophysics Data System (ADS)

Malanichev, I. V.; Akhmadiev, F. G.

2015-11-01

Simulation of emulsion flows in differently shaped microchannels to reproduce the choking of such flows as a result of the effect of dynamic blocking has been made. A model of a highly concentrated emulsion as a structure of tightly packed deformed droplets surrounded by elastic shells is considered. The motion of liquid was determined by the method of the lattice Boltzmann equations together with the immersed boundary method. The influence of the non-Newtonian properties and of elastic turbulence of the indicated emulsion, as well as of the elasticity of the shells of its droplets and of the interaction of these shells on the emulsion motion in a microchannel, has been investigated. It is shown that the flow of this emulsion can be slowed down substantially only due to the mutual attraction of the shells of its droplets.

On the Mössbauer Effect and the Rigid Recoil Question

NASA Astrophysics Data System (ADS)

Davidson, Mark

2017-03-01

The rigid recoil of a crystal is the accepted mechanism for the Mössbauer effect. It's at odds with the special theory of relativity which does not allow perfectly rigid bodies. The standard model of particle physics which includes QED should not allow any signals to be transmitted faster than the speed of light. If perturbation theory can be used, then the X-ray emitted in a Mössbauer decay must come from a single nuclear decay vertex at which the 4-momentum is exactly conserved in a Feynman diagram. Then the 4-momentum of the final state Mössbauer nucleus must be slightly off the mass shell. This off-shell behavior would be followed by subsequent diffusion of momentum throughout the crystal to bring the nucleus back onto the mass shell and the crystal to a final relaxed state in which it moves rigidly with the appropriate recoil velocity. This mechanism explains the Mössbauer effect at the microscopic level and reconciles it with relativity. Because off-mass-shell quantum mechanics is required, the on-mass-shell theories developed originally for the Mössbauer effect are inadequate. Another possibility is that that the recoil response involves a non-perturbative effect in the standard model which could allow for a non-local instantaneous momentum transfer between the crystal and the decay (or absorption), as proposed for example by Preparata and others in super-radiance theory. The recoil time of the crystal is probably not instantaneous, and if it could be measured, one could distinguish between various theories. An experiment is proposed in this paper to measure this time. The idea is to measure the total energy radiated due to bremsstrahlung from a charged Mössbauer crystal which has experienced a recoil. Using Larmor's formula, along with corrections to it, allows one to design an experiment. The favored idea is to use many small nano-spheres of Mössbauer-active metals, whose outer surfaces are charged. The energy radiated then varies as the charge squared divided by the recoil time. This can then be measured with the extreme sensitivity available in Mössbauer experiments. If it turns out that experiments prove the need for off-mass-shell theory, then this would have profound implications for all of condensed matter physics. It would mean that an off-mass-shell theory like those considered by Stueckelberg, Horwitz, Piron, Greenberger, and many others are required to describe nature. The inclusion of these would be a major shift in the foundations. It would mean that there are new dynamic variables—the rest masses of particles. The ability to measure the diffusion relaxation time should prove useful also in chemical analysis, and provide a new class of analytical methods for material science. This problem is also interesting because the Mössbauer effect is a phenomenon where the solid-state environment dramatically and indisputably influences the probability of a nuclear process.

Super-hydrophobic yolk-shell nanostructure with enhanced catalytic performance in the reduction of hydrophobic nitroaromatic compounds.

PubMed

Shi, Song; Wang, Min; Chen, Chen; Gao, Jin; Ma, Hong; Ma, Jiping; Xu, Jie

2013-10-25

A self-templating method to fabricate a super-hydrophobic yolk-shell nano-reactor was reported. Metal nanoparticles were encapsulated in the porous super-hydrophobic shell. This super-hydrophobic catalyst showed excellent performance in the reduction of nitroaromatic compounds in aqueous phase and a positive correlation was found between the reaction rate and the hydrophobicity of the substrate.

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 Shell Seeker: What Is the Quantity of Shell in the Lido di Venezia Sand? A Calibration DRIFTS Experiment

ERIC Educational Resources Information Center

Pezzolo, Alessandra De Lorenzi

2011-01-01

In this experiment, students are given a fanciful application of the standard addition method to evaluate the approximate quantity of the shell component in a sample of sand collected on the Lido di Venezia seashore. Several diffuse reflectance infrared Fourier transform (DRIFT) spectra are recorded from a sand sample before and after addition of…

Next-to-leading-order QCD and electroweak corrections to WWW production at proton-proton colliders

NASA Astrophysics Data System (ADS)

Dittmaier, Stefan; Huss, Alexander; Knippen, Gernot

2017-09-01

Triple-W-boson production in proton-proton collisions allows for a direct access to the triple and quartic gauge couplings and provides a window to the mechanism of electroweak symmetry breaking. It is an important process to test the Standard Model (SM) and might be background to physics beyond the SM. We present a calculation of the next-to-leading order (NLO) electroweak corrections to the production of WWW final states at proton-proton colliders with on-shell W bosons and combine the electroweak with the NLO QCD corrections. We study the impact of the corrections to the integrated cross sections and to kinematic distributions of the W bosons. The electroweak corrections are generically of the size of 5-10% for integrated cross sections and become more pronounced in specific phase-space regions. The real corrections induced by quark-photon scattering turn out to be as important as electroweak loops and photon bremsstrahlung corrections, but can be reduced by phase-space cuts. Considering that prior determinations of the photon parton distribution function (PDF) involve rather large uncertainties, we compare the results obtained with different photon PDFs and discuss the corresponding uncertainties in the NLO predictions. Moreover, we determine the scale and total PDF uncertainties at the LHC and a possible future 100 TeV pp collider.

Comparison of a novel strategy for the detection and isolation of Salmonella in shell eggs with the Food and Drug Administration Bacteriological Analytical Manual method.

PubMed

Zhang, Guodong; Thau, Eve; Brown, Eric W; Hammack, Thomas S

2013-12-01

The current FDA Bacteriological Analytical Manual (BAM) method for the detection of Salmonella in eggs requires 2 wk to complete. The objective of this project was to improve the BAM method for the detection and isolation of Salmonella in whole shell eggs. A novel protocol, using 1,000 g of liquid eggs for direct preenrichment with 2 L of tryptic soy broth (TSB) followed by enrichment using Rappaport-Vassiliadis and Tetrathionate broths, was compared with the standard BAM method, which requires 96 h room temperature incubation of whole shell egg samples followed by preenrichment in TSB supplemented with FeSO4. Four Salmonella ser. Enteritidis (4 phage types) and one Salmonella ser. Heidelberg isolates were used in the study. Bulk inoculated pooled liquid eggs, weighing 52 or 56 kg (approximately 1,100 eggs) were used in each trial. Twenty 1,000-g test portions were withdrawn from the pooled eggs for both the alternative and the reference methods. Test portions were inoculated with Salmonella at 1 to 5 cfu/1,000 g eggs. Two replicates were performed for each isolate. In the 8 trials conducted with Salmonella ser. Enteritidis, the alternative method was significantly (P < 0.05) more productive than the reference method in 3 trials, and significantly (P < 0.05) less productive than the reference method in 1 trial. There were no significant (P < 0.05) differences between the 2 methods for the other 4 trials. For Salmonella ser. Heidelberg, combined data from 2 trials showed the alternative method was significantly (P < 0.05) more efficient than the BAM method. We have concluded that the alternative method, described herein, has the potential to replace the current BAM culture method for detection and isolation of Salmonella from shell eggs based on the following factors: 1) the alternative method is 4 d shorter than the reference method; 2) it uses regular TSB instead of the more complicated TSB supplemented with FeSO4; and 3) it was equivalent or superior to the reference method in 9 out of 10 trials for the detection of Salmonella in shell eggs.

pi-eta mixing and charge symmetry violating NN potential in matter

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

Biswas, Subhrajyoti; Roy, Pradip; Dutt-Mazumder, Abhee K.

2010-06-15

We construct density-dependent class III charge symmetry violating (CSV) potential caused by the mixing of pi-eta mesons with off-shell corrections. The density dependence enters through the nonvanishing pi-eta mixing driven by both the neutron-proton mass difference and their asymmetric density distribution. The contribution of density-dependent mixing to the CSV potential is found to be appreciably larger than that of the vacuum part.

Multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution as a mechanism to generate intermediate band energy levels

NASA Astrophysics Data System (ADS)

Rodríguez-Magdaleno, K. A.; Pérez-Álvarez, R.; Martínez-Orozco, J. C.; Pernas-Salomón, R.

2017-04-01

In this work the generation of an intermediate band of energy levels from multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution is reported. Within the effective mass approximation the electronic structure of a GaAs spherical quantum-dot surrounded by one, two and three shells is studied in detail using a numerically stable transfer matrix method. We found that a shells-size distribution characterized by continuously wider GaAs domains is a suitable mechanism to generate the intermediate band whose width is also dependent on the Aluminium concentration x. Our results suggest that this effective mechanism can be used for the design of wider intermediate band than reported in other quantum systems with possible solar cells enhanced performance.

Enhanced linear photonic nanojet generated by core-shell optical microfibers

NASA Astrophysics Data System (ADS)

Liu, Cheng-Yang; Yen, Tzu-Ping; Chen, Chien-Wen

2017-05-01

The generation of linear photonic nanojet using core-shell optical microfiber is demonstrated numerically and experimentally in the visible light region. The power flow patterns for the core-shell optical microfiber are calculated by using the finite-difference time-domain method. The focusing properties of linear photonic nanojet are evaluated in terms of length and width along propagation and transversal directions. In experiment, the silica optical fiber is etched chemically down to 6 μm diameter and coated with metallic thin film by using glancing angle deposition. We show that the linear photonic nanojet is enhanced clearly by metallic shell due to surface plasmon polaritons. The large-area superresolution imaging can be performed by using a core-shell optical microfiber in the far-field system. The potential applications of this core-shell optical microfiber include micro-fluidics and nano-structure measurements.

Short-Range Correlated Magnetic Core-Shell CrO₂/Cr₂O₃ Nanorods: Experimental Observations and Theoretical Considerations.

PubMed

Gandhi, Ashish C; Li, Tai-Yue; Chan, Ting Shan; Wu, Sheng Yun

2018-05-09

With the evolution of synthesis and the critical characterization of core-shell nanostructures, short-range magnetic correlation is of prime interest in employing their properties to develop novel devices and widespread applications. In this regard, a novel approach of the magnetic core-shell saturated magnetization (CSSM) cylinder model solely based on the contribution of saturated magnetization in one-dimensional CrO₂/Cr₂O₃ core-shell nanorods (NRs) has been developed and applied for the determination of core-diameter and shell-thickness. The nanosized effect leads to a short-range magnetic correlation of ferromagnetic core-CrO₂ extracted from CSSM, which can be explained using finite size scaling method. The outcome of this study is important in terms of utilizing magnetic properties for the critical characterization of core-shell nanomagnetic materials.

Method and apparatus for generating microshells of refractory materials

NASA Technical Reports Server (NTRS)

Lee, Mark C. (Inventor); Schilling, Christopher (Inventor); Ladner, Jr., George O. (Inventor); Wang, Taylor G. (Inventor)

1987-01-01

A system is described for forming accurately spherical and centered fluid-filled shells, especially of high melting temperature material. Material which is to form the shells is placed in a solid form in a container, and the material is rapidly heated to a molten temperature to avoid recrystallization and the possible generation of unwanted microbubbles in the melt. Immediately after the molten shells are formed, they drop through a drop tower whose upper end is heated along a distance of at least one foot to provide time for dissipation of surface waves on the shells while they cool to a highly viscous, or just above melting temperature so that the bubble within the shell will not rise and become off centered. The rest of the tower is cryogenically cooled to cool the shell to a solid state.

Fine structural features of nanoscale zero-valent iron characterized by spherical aberration corrected scanning transmission electron microscopy (Cs-STEM).

PubMed

Liu, Airong; Zhang, Wei-xian

2014-09-21

An angstrom-resolution physical model of nanoscale zero-valent iron (nZVI) is generated with a combination of spherical aberration corrected scanning transmission electron microscopy (Cs-STEM), selected area electron diffraction (SAED), energy-dispersive X-ray spectroscopy (EDS) and electron energy-loss spectroscopy (EELS) on the Fe L-edge. Bright-field (BF), high-angle annular dark-field (HAADF) and secondary electron (SE) imaging of nZVI acquired by a Hitachi HD-2700 STEM show near atomic resolution images and detailed morphological and structural information of nZVI. The STEM-EDS technique confirms that the fresh nZVI comprises of a metallic iron core encapsulated with a thin layer of iron oxides or oxyhydroxides. SAED patterns of the Fe core suggest the polycrystalline structure in the metallic core and amorphous nature of the oxide layer. Furthermore, Fe L-edge of EELS shows varied structural features from the innermost Fe core to the outer oxide shell. A qualitative analysis of the Fe L(2,3) edge fine structures reveals that the shell of nZVI consists of a mixed Fe(II)/Fe(III) phase close to the Fe (0) interface and a predominantly Fe(III) at the outer surface of nZVI.

New Identification of the Mixed-Morphology Supernova Remnant G298.6-0.0 with Possible Gamma-Ray Association

NASA Technical Reports Server (NTRS)

Bamba, Aya; Sawada, Makoto; Nakano, Yuto; Terada, Yukikatsu; Hewitt, John; Petre, Robert; Angelini, Lorella

2015-01-01

We present an X-ray analysis on the Galactic supernova remnant (SNR) G298.6-0.0 observed with Suzaku. The X-ray image shows a center-filled structure inside a radio shell, implying that this SNR can be categorized as a mixed-morphology (MM) SNR. The spectrum is well reproduced by a single-temperature plasma model in ionization equilibrium, with a temperature of 0.78 (0.70-0.87) keV. The total plasma mass of 30M indicates that the plasma has an interstellar medium origin. The association with a GeV gamma-ray source, 3FGL J1214.0-6236, on the shell of the SNR is discussed, in comparison with other MMSNRs with GeV gamma-ray associations. It is found that the flux ratio between absorption-corrected thermal X-rays and GeV gamma-rays decreases as the physical size of MMSNRs becomes larger. The absorption-corrected thermal X-ray flux of G298.6-0.0 and the GeV gamma-ray flux of 3FGL J1214.0-6236 closely follow this trend, implying that 3FGL J1214.0-6236 is likely to be a GeV counterpart of G298.6-0.0.

Improved open-circuit voltage in polymer/oxide-nanoarray hybrid solar cells by formation of homogeneous metal oxide core/shell structures.

PubMed

Wu, Fan; Cui, Qi; Qiu, Zeliang; Liu, Changwen; Zhang, Hui; Shen, Wei; Wang, Mingtai

2013-04-24

Incorporation of vertically aligned nanorod/nanowire arrays of metal oxide (oxide-NAs) with a polymer can produce efficient hybrid solar cells with an ideal bulk-heterojunction architecture. However, polymer/oxide-NAs solar cells still suffer from a rather low (normally, < 0.4 V) open-circuit voltage (Voc). Here we demonstrate, for the first time, a novel strategy to improve the Voc in polymer/oxide-NAs solar cells by formation of homogeneous core/shell structures and reveal the intrinsic principles involved therein. A feasible hydrothermal-solvothermal combined method is developed for preparing homogeneous core/shell nanoarrays of metal oxides with a single-crystalline nanorod as core and the aggregation layer of corresponding metal oxide quantum dots (QDs) as shell, and the shell thickness (L) is easily controlled by the solvothermal reaction time for growing QDs on the nanorod. The core/shell formation dramatically improves the device Voc up to ca. 0.7-0.8 V depending on L. Based on steady-state and dynamic measurements, as well as modeling by space-charge-limited current method, it is found that the improved Voc originates from the up-shifted conduction band edge in the core by the interfacial dipole field resulting from the decreased mobility difference between photogenerated electrons and holes after the shell growth, which increases the energy difference between the quasi-Fermi levels of photogenerated electrons in the core and holes in the polymer for a higher Voc. Our results indicate that increasing Voc by the core/shell strategy seems not to be dependent on the kinds of metal oxides.

A numerical method for the stress analysis of stiffened-shell structures under nonuniform temperature distributions

NASA Technical Reports Server (NTRS)

Heldenfels, Richard R

1951-01-01

A numerical method is presented for the stress analysis of stiffened-shell structures of arbitrary cross section under nonuniform temperature distributions. The method is based on a previously published procedure that is extended to include temperature effects and multicell construction. The application of the method to practical problems is discussed and an illustrative analysis is presented of a two-cell box beam under the combined action of vertical loads and a nonuniform temperature distribution.

Folding and unfolding of large-size shell construction for application in Earth orbit

NASA Astrophysics Data System (ADS)

Kondyurin, Alexey; Pestrenina, Irena; Pestrenin, Valery; Rusakov, Sergey

2016-07-01

A future exploration of space requires a technology of large module for biological, technological, logistic and other applications in Earth orbits [1-3]. This report describes the possibility of using large-sized shell structures deployable in space. Structure is delivered to the orbit in the spaceship container. The shell is folded for the transportation. The shell material is either rigid plastic or multilayer prepreg comprising rigid reinforcements (such as reinforcing fibers). The unfolding process (bringing a construction to the unfolded state by loading the internal pressure) needs be considered at the presence of both stretching and bending deformations. An analysis of the deployment conditions (the minimum internal pressure bringing a construction from the folded state to the unfolded state) of large laminated CFRP shell structures is formulated in this report. Solution of this mechanics of deformable solids (MDS) problem of the shell structure is based on the following assumptions: the shell is made of components whose median surface has a reamer; in the separate structural element relaxed state (not stressed and not deformed) its median surface coincides with its reamer (this assumption allows choose the relaxed state of the structure correctly); structural elements are joined (sewn together) by a seam that does not resist rotation around the tangent to the seam line. The ways of large shell structures folding, whose median surface has a reamer, are suggested. Unfolding of cylindrical, conical (full and truncated cones), and large-size composite shells (cylinder-cones, cones-cones) is considered. These results show that the unfolding pressure of such large-size structures (0.01-0.2 atm.) is comparable to the deploying pressure of pneumatic parts (0.001-0.1 atm.) [3]. It would be possible to extend this approach to investigate the unfolding process of large-sized shells with ruled median surface or for non-developable surfaces. This research was financially supported by the Russian Fund for Basic Research (grants No. 15-01-07946_a and 14-08-96011_r_ural_a). 1. Briskman V., A.Kondyurin, K.Kostarev, V.Leontyev, M.Levkovich, A.Mashinsky, G.Nechitailo, T.Yudina, Polymerization in microgravity as a new process in space technology, Paper No IAA-97-IAA.12.1.07, 48th International Astronautical Congress, October 6-10, 1997, Turin Italy. 2. Kondyurin A., Pestrenina I., Pestrenin V., Kashin N., Naymushin A. Large-size deployable construction heated by solar irradiation free space, 40th COSPAR Scientific Assembly 2014. 3. V. M. Pestrenin, I. V. Pestrenina, S. V. Rusakov, and A. V. Kondyurin Deployment of large-size shell constructions by internal pressure, Mechanics of Composite Materials, 2015, Vol. 51, No 5, p. 629-636.

Transport comparison of multiwall carbon nanotubes by contacting outer shell and all shells.

PubMed

Luo, Qiang; Cui, A-Juan; Zhang, Yi-Guang; Lu, Chao; Jin, Ai-Zi; Yang, Hai-Fang; Gu, Chang-Zhi

2010-11-01

Carbon nanotubes, particularly multiwall carbon nanotubes (MWCNTs) can serve as interconnects in nanoelectronic devices and integrated circuits because of their extremely large current-carrying capacity. Many experimental results about the transport properties of individual MWCNTs by contacting outer shell or all shells have been reported. In this work, a compatible method with integrated circuit manufacturing process was presented to compare the transport property of an individual multiwall carbon nanotube (MWCNT) by contacting outer shell only and all shells successively. First of the Ti/Au electrodes contacting outer shell only were fabricated onto the nanotube through the sequence of electron beam lithography (EBL) patterning, metal deposition and lift-off process. After the characterization of its transport property, focused ion beam (FIB) was used to drill holes through the same nanotube at the as-deposited electrodes. Then new contact to the holes and electrodes were made by ion-induced deposition of tungsten from W(CO)6 precursor gas. The transport results indicated that the new contact to all shells can clear up the intershell resistance and the electrical conductance of the tube can be improved about 8 times compared to that of by contacting outer shell only.

One-pot facile synthesis of reusable tremella-like M1@M2@M1(OH)2 (M1 = Co, Ni, M2 = Pt/Pd, Pt, Pd and Au) three layers core-shell nanostructures as highly efficient catalysts

NASA Astrophysics Data System (ADS)

Liu, Yadong; Fang, Zhen; Kuai, Long; Geng, Baoyou

2014-07-01

In this work, a general, facile, successive and eco-friendly method for multilayer nanostructures has been established for the first time. We take full advantage of the structural and compositional character of M1@M2 (M1 = Co, Ni, M2 = Pt/Pd, Pt, Pd and Au) core-shell nanostructures to prepare a series of reusable tremella-like M1@M2@M1(OH)2 three layer core-shell or yolk-shell nanocomposites with a magnetic core, a porous noble metal shell, and an ultrathin cobalt or nickel hydroxide shell. We evaluated their catalytic performance using a model reaction based on the reduction of 4-nitrophenol. These novel M1@M2@M1(OH)2 nanomaterials with a unique internal micro environment promoted the efficiency of the catalytic reaction, prolonged the service life of the catalyst and enhanced the overall activity of the catalyst in the catalytic process. The novel three layer core-shell nanocomposites can be extended to other applications such as biomedical detection, energy conversion and storage systems.In this work, a general, facile, successive and eco-friendly method for multilayer nanostructures has been established for the first time. We take full advantage of the structural and compositional character of M1@M2 (M1 = Co, Ni, M2 = Pt/Pd, Pt, Pd and Au) core-shell nanostructures to prepare a series of reusable tremella-like M1@M2@M1(OH)2 three layer core-shell or yolk-shell nanocomposites with a magnetic core, a porous noble metal shell, and an ultrathin cobalt or nickel hydroxide shell. We evaluated their catalytic performance using a model reaction based on the reduction of 4-nitrophenol. These novel M1@M2@M1(OH)2 nanomaterials with a unique internal micro environment promoted the efficiency of the catalytic reaction, prolonged the service life of the catalyst and enhanced the overall activity of the catalyst in the catalytic process. The novel three layer core-shell nanocomposites can be extended to other applications such as biomedical detection, energy conversion and storage systems. Electronic supplementary information (ESI) available: Fig. S1-S6. See DOI: 10.1039/c4nr01470g

Structural Performance of Advanced Composite Tow-Steered Shells With Cutouts

NASA Technical Reports Server (NTRS)

Wu, K. Chauncey; Turpin, Jason D.; Stanford, Bret K.; Martin, Robert A.

2014-01-01

The structural performance of two advanced composite tow-steered shells with cutouts, manufactured using an automated fiber placement system, is assessed using both experimental and analytical methods. The shells' fiber orientation angles vary continuously around their circumference from +/-10 degrees on the crown and keel, to +/-45 degrees on the sides. The raised surface features on one shell result from application of all 24 tows during each fiber placement system pass, while the second shell uses the system's tow drop/add capability to achieve a more uniform wall thickness. These unstiffened shells were previously tested in axial compression and buckled elastically. A single cutout, scaled to represent a passenger door on a commercial aircraft, is then machined into one side of each shell. The prebuckling axial stiffnesses and bifurcation buckling loads of the shells with cutouts are also computed using linear finite element structural analyses for initial comparisons with test data. When retested, large deflections were observed around the cutouts, but the shells carried an average of 92 percent of the axial stiffness, and 86 percent of the buckling loads, of the shells without cutouts. These relatively small reductions in performance demonstrate the potential for using tow steering to mitigate the adverse effects of typical design features on the overall structural performance.

Core-shell TiO2@ZnO nanorods for efficient ultraviolet photodetection

NASA Astrophysics Data System (ADS)

Panigrahi, Shrabani; Basak, Durga

2011-05-01

Core-shell TiO2@ZnO nanorods (NRs) have been fabricated by a simple two step method: growth of ZnO NRs' array by an aqueous chemical technique and then coating of the NRs with a solution of titanium isopropoxide [Ti(OC3H7)4] followed by a heating step to form the shell. The core-shell nanocomposites are composed of single-crystalline ZnO NRs, coated with a thin TiO2 shell layer obtained by varying the number of coatings (one, three and five times). The ultraviolet (UV) emission intensity of the nanocomposite is largely quenched due to an efficient electron-hole separation reducing the band-to-band recombinations. The UV photoconductivity of the core-shell structure with three times TiO2 coating has been largely enhanced due to photoelectron transfer between the core and the shell. The UV photosensitivity of the nanocomposite becomes four times larger while the photocurrent decay during steady UV illumination has been decreased almost by 7 times compared to the as-grown ZnO NRs indicating high efficiency of these core-shell structures as UV sensors.

Simple proteomics data analysis in the object-oriented PowerShell.

PubMed

Mohammed, Yassene; Palmblad, Magnus

2013-01-01

Scripting languages such as Perl and Python are appreciated for solving simple, everyday tasks in bioinformatics. A more recent, object-oriented command shell and scripting language, Windows PowerShell, has many attractive features: an object-oriented interactive command line, fluent navigation and manipulation of XML files, ability to consume Web services from the command line, consistent syntax and grammar, rich regular expressions, and advanced output formatting. The key difference between classical command shells and scripting languages, such as bash, and object-oriented ones, such as PowerShell, is that in the latter the result of a command is a structured object with inherited properties and methods rather than a simple stream of characters. Conveniently, PowerShell is included in all new releases of Microsoft Windows and therefore already installed on most computers in classrooms and teaching labs. In this chapter we demonstrate how PowerShell in particular allows easy interaction with mass spectrometry data in XML formats, connection to Web services for tools such as BLAST, and presentation of results as formatted text or graphics. These features make PowerShell much more than "yet another scripting language."

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.

Alterations to the relativistic Love-Franey model and their application to inelastic scattering

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

Zeile, J.R.

The fictitious axial-vector and tensor mesons for the real part of the relativistic Love-Franey interaction are removed. In an attempt to make up for this loss, derivative couplings are used for the {pi} and {rho} mesons. Such derivative couplings require the introduction of axial-vector and tensor contact term corrections. Meson parameters are then fit to free nucleon-nucleon scattering data. The resulting fits are comparable to those of the relativistic Love-Franey model provided that the contact term corrections are included and the fits are weighted over the physically significant quantity of twice the tensor minus the axial-vector Lorentz invariants. Failure tomore » include contact term corrections leads to poor fits at higher energies. The off-shell behavior of this model is then examined by looking at several applications from inelastic proton-nucleus scattering.« less

Impact of prehistoric cooking practices on paleoenvironmental proxies in shell midden constituents

NASA Astrophysics Data System (ADS)

Müller, Peter; Staudigel, Philip; Murray, Sean T.; Westphal, Hildegard; Swart, Peter K.

2016-04-01

Paleoenvironmental proxy records such as oxygen isotopes of calcareous skeletal structures like fish otoliths or mollusk shells provide highest-resolution information about environmental conditions experienced by the organism. Accumulations of such skeletal structures by ancient coastal populations in so called "shell midden" deposits provide us with sub-seasonally resolved paleoclimate records covering time spans up to several millennia. Given their high temporal resolution, these deposits are increasingly used for paleoclimate reconstructions and complement our understanding of ancient climate changes. However, gathered as comestibles, most of these skeletal remains were subject to prehistoric cooking methods prior to deposition. The associated alteration of the chemical proxy signatures as well as the subsequent error for paleoenvironmental reconstructions remained almost entirely neglected so far. Here, we present clumped isotope, conventional oxygen and carbon isotopes as well as element:Ca ratios measured in modern bivalve shells after exposing them to different prehistoric cooking methods. Our data show that most cooking methods considerably alter commonly used paleoclimate proxy systems which can lead to substantial misinterpretations of ancient climate conditions. Since the magnitude of chemical alteration is not distinguishable from natural temperature variability in most coastal settings, the alteration of shell midden constituents by prehistoric cooking remains likely unnoticed in most cases. Thus, depending on the cooking method, pre-depositional heating might have introduced considerable errors into previous paleoclimate studies. However, our data also show that clumped isotope thermometry represents a suitable diagnostic tool to detect such pre-depositional cooking events and also allows differentiating between the most commonly applied prehistoric cooking methods.

Controlled Synthesis and Utilization of Metal and Oxide Hybrid Nanoparticles

NASA Astrophysics Data System (ADS)

Crane, Cameron

This dissertation reports the development of synthetic methods concerning rationally-designed, hybrid, and multifunctional nanomaterials. These methods are based on a wet chemical, solution phase approach that utilizes the knowledge of synthetic organic and inorganic chemistry to generate building blocks in solution for the growth of nanocrystals and hybrid nanostructures. This work builds on the prior knowledge of shape-controlled synthesis of noble metal nanocrystals and expands into the challenging realm of the more reactive first row transition metals. Specifically, a microemulsion sol-gel method was developed to synthesize Au-SiO2 dimers as precursors for the synthesis of segmented heterostructures of noble metals that can be used for catalysis. This microemulsion sol-gel method was modified to synthesize an aqueous suspension of oxidation-resistant Cu-SiO2 core-shell nanoparticles that can be used for sensing and catalysis. A thermal decomposition approach was developed, wherein zero-valence metal precursor complexes in the presence of seed nanoparticles produced metal-metal oxide core-shell structures with well-controlled shell thickness. This method was demonstrated on AuCu 3-Fe3O4, AuCu3-NiO, and AuCu3 -MnO core-shell systems. Switching the core from AuCu3 alloy to pure Cu, this method could extend to Cu-Fe3O4 and Cu-MnO systems. Further etching the Cu core in these core-shell structures led to the formation of the hollow metal oxides which provides a versatile route to hollow nanostructures of metal oxides. This work develops the synthetic library of tools for the production of hybrid nanostructures with multiple functionalities.

Comparison of antibacterial activities of Ag@TiO2 and Ag@SiO2 core-shell nanoparticles

NASA Astrophysics Data System (ADS)

Dhanalekshmi, K. I.; Meena, K. S.

2014-07-01

Core-shell type Ag@TiO2 nanoparticles were prepared by one pot simultaneous reduction of AgNO3 and hydrolysis of Ti (IV) isopropoxide and Ag@SiO2 core-shell nanoparticles were prepared by Stober's method. They were characterized by absorption, XRD, and HR-TEM techniques. XRD patterns show the presence of anatase form of TiO2 and amorphous form of SiO2 and the noble metal (Ag). High resolution transmission electron microscopy measurements revealed that their size is below 50 nm. The antibacterial properties of Ag@TiO2 and Ag@SiO2 core-shell nanoparticles against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) were examined by the agar diffusion method. As a result E. coli and S. aureus were shown to be substantially inhibited by Ag@TiO2 and Ag@SiO2 core-shell nanoparticles. These results demonstrated that TiO2 and SiO2 supported on the surface of Ag NPs without aggregation was proved to have enhanced antibacterial activity.

Comparison of antibacterial activities of Ag@TiO2 and Ag@SiO2 core-shell nanoparticles.

PubMed

Dhanalekshmi, K I; Meena, K S

2014-07-15

Core-shell type Ag@TiO2 nanoparticles were prepared by one pot simultaneous reduction of AgNO3 and hydrolysis of Ti (IV) isopropoxide and Ag@SiO2 core-shell nanoparticles were prepared by Stober's method. They were characterized by absorption, XRD, and HR-TEM techniques. XRD patterns show the presence of anatase form of TiO2 and amorphous form of SiO2 and the noble metal (Ag). High resolution transmission electron microscopy measurements revealed that their size is below 50 nm. The antibacterial properties of Ag@TiO2 and Ag@SiO2 core-shell nanoparticles against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) were examined by the agar diffusion method. As a result E. coli and S. aureus were shown to be substantially inhibited by Ag@TiO2 and Ag@SiO2 core-shell nanoparticles. These results demonstrated that TiO2 and SiO2 supported on the surface of Ag NPs without aggregation was proved to have enhanced antibacterial activity. Copyright © 2014 Elsevier B.V. All rights reserved.

Ultra-high-performance core–shell structured Ru@Pt/C catalyst prepared by a facile pulse electrochemical deposition method

DOE PAGES

Chen, Dan; Li, Yuexia; Liao, Shijun; ...

2015-08-03

Core–shell structured catalysts, made by placing either a monolayer or a thin layer of a noble metal on relatively cheap core-metal nanoparticles, are fascinating and promising fuel cell catalysts due to their high utilization of noble metals. Here, we report our development of a core–shell structured catalyst, Ru@Pt/C, generated by a novel and facile pulse electrochemical deposition (PED) approach. We demonstrate that compared with a commercial Pt/C catalyst, this novel catalyst achieves over four times higher mass activity towards the anodic oxidation of methanol, and 3.6 times higher mass activity towards the cathodic reduction of oxygen. Importantly, we find thatmore » the intrinsic activity of Pt in this Ru@Pt/C catalyst is doubled due to the formation of the core–shell structure. The catalyst also shows superior stability: even after 2000 scans, it still retains up to 90% of the peak current. As a result, our findings demonstrate that this novel PED approach is a promising method for preparing high-performance core–shell catalysts for fuel cell applications.« less

3D Study of the Morphology and Dynamics of Zeolite Nucleation.

PubMed

Melinte, Georgian; Georgieva, Veselina; Springuel-Huet, Marie-Anne; Nossov, Andreï; Ersen, Ovidiu; Guenneau, Flavien; Gedeon, Antoine; Palčić, Ana; Bozhilov, Krassimir N; Pham-Huu, Cuong; Qiu, Shilun; Mintova, Svetlana; Valtchev, Valentin

2015-12-07

The principle aspects and constraints of the dynamics and kinetics of zeolite nucleation in hydrogel systems are analyzed on the basis of a model Na-rich aluminosilicate system. A detailed time-series EMT-type zeolite crystallization study in the model hydrogel system was performed to elucidate the topological and temporal aspects of zeolite nucleation. A comprehensive set of analytical tools and methods was employed to analyze the gel evolution and complement the primary methods of transmission electron microscopy (TEM) and nuclear magnetic resonance (NMR) spectroscopy. TEM tomography reveals that the initial gel particles exhibit a core-shell structure. Zeolite nucleation is topologically limited to this shell structure and the kinetics of nucleation is controlled by the shell integrity. The induction period extends to the moment when the shell is consumed and the bulk solution can react with the core of the gel particles. These new findings, in particular the importance of the gel particle shell in zeolite nucleation, can be used to control the growth process and properties of zeolites formed in hydrogels. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A modified carbothermal reduction method for preparation of high-performance nano-scale core/shell Cu 6Sn 5 alloy anodes in Li-ion batteries

NASA Astrophysics Data System (ADS)

Cui, Wangjun; Wang, Fei; Wang, Jie; Liu, Haijing; Wang, Congxiao; Xia, Yongyao

Core-shell structured, carbon-coated, nano-scale Cu 6Sn 5 has been prepared by a modified carbothermal reduction method using polymer coated mixed oxides of CuO and SnO 2 as precursors. On heat treatment, the mixture oxides were converted into Cu 6Sn 5 alloy by carbothermal reduction. Simultaneously, the remnants carbon was coated on the surface of the Cu 6Sn 5 particles to form a core-shell structure. Transmission electron microscope (TEM) images demonstrate that the well-coated carbon layer effectively prevents the encapsulated, low melting point alloy from out flowing in a high-temperature treatment process. Core-shell structured, carbon coated Cu 6Sn 5 delivers a reversible capacity of 420 mAh g -1 with capacity retention of 80% after 50 cycles. The improvement in the cycling ability can be attributed to the fact that the carbon-shell prevents aggregation and pulverization of nano-sized tin-based alloy particles during charge/discharge cycling.

Comparison of performance of shell-and-tube heat exchangers with conventional segmental baffles and continuous helical baffle

NASA Astrophysics Data System (ADS)

Ahmed, Asif; Ferdous, Imam Ul.; Saha, Sumon

2017-06-01

In the present study, three-dimensional numerical simulation of two shell-and-tube heat exchangers (STHXs) with conventional segmental baffles (STHXsSB) and continuous helical baffle (STHXsHB) is carried out and a comparative study is performed based on the simulation results. Both of the STHXs contain 37 tubes inside a 500 mm long and 200 mm diameter shell and mass flow rate of shell-side fluid is varied from 0.5 kg/s to 2 kg/s. At first, physical and mathematical models are developed and numerically simulated using finite element method (FEM). For the validation of the computational model, shell-side average nusselt number (Nus) is calculated from the simulation results and compared with the available experimental results. The comparative study shows that STHXsHB has 72-127% higher heat transfer coefficient per unit pressure drop compared to the conventional STHXsSB for the same shell-side mass flow rate. Moreover, STHXsHB has 59-63% lower shell-side pressure drop than STHXsSB.

Platinum-coated non-noble metal-noble metal core-shell electrocatalysts

DOEpatents

Adzic, Radoslav; Zhang, Junliang; Mo, Yibo; Vukmirovic, Miomir

2015-04-14

Core-shell particles encapsulated by a thin film of a catalytically active metal are described. The particles are preferably nanoparticles comprising a non-noble core with a noble metal shell which preferably do not include Pt. The non-noble metal-noble metal core-shell nanoparticles are encapsulated by a catalytically active metal which is preferably Pt. The core-shell nanoparticles are preferably formed by prolonged elevated-temperature annealing of nanoparticle alloys in an inert environment. This causes the noble metal component to surface segregate and form an atomically thin shell. The Pt overlayer is formed by a process involving the underpotential deposition of a monolayer of a non-noble metal followed by immersion in a solution comprising a Pt salt. A thin Pt layer forms via the galvanic displacement of non-noble surface atoms by more noble Pt atoms in the salt. The overall process is a robust and cost-efficient method for forming Pt-coated non-noble metal-noble metal core-shell nanoparticles.

Evaluation of modern DFT functionals and G3n-RAD composite methods in the modelization of organic singlet diradicals.

PubMed

López-Carballeira, Diego; Ruipérez, Fernando

2016-04-01

The evaluation of four high-level composite methods based on the modification of Gaussian-3 (G3) theory for radicals and 18 exchange-correlation density functionals, including modern long-range and dispersion-corrected functionals, in the modelization of singlet diradicals has been performed in this work. Structural parameters and properties such as singlet-triplet gaps, electron affinities, ionization potentials, dipole moments, enthalpies of formation, and bond dissociation energies have been calculated in a set of six well-characterized singlet diradicals, and benchmarked against experimental data and wavefunction-based CASSCF/CASPT2 calculations. The complexity of the open-shell singlet ground state is revealed in the difficulties to properly represent the diradical character reported by some DFT functionals, specially those that do not comprise a certain amount of Hartree-Fock exchange in their formulation. We find that STGs, EAs, dipole moments, and thermochemical properties are, in general, satisfactorily calculated, while for IPs larger deviations with respect to the experiments are found in all cases. The best overall performance is accounted for by hybrid functionals, including some of the long-range corrected functionals, but also pure functionals, comprising the kinetic energy density in their formulation, are found to be competent. Composite methods perform satisfactorily, especially G3(MP2)-RAD and G3X(MP2)-RAD, which calculate singlet-triplet gaps and electron affinities more accurately. On the other hand, G3-RAD and G3X-RAD provide better ionization potentials. This study emphasizes that the use of recently developed functionals, within the broken symmetry approximation, is an appropriate tool for the simulation of organic singlet diradicals, with similar accuracy compared to more expensive composite methods. Nevertheless, suitable selection of the methodology is still crucial for the accomplishment of accurate results.