Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei

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

Dytrych, T.; Maris, Pieter; Launey, K. D.

2016-06-09

We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM approach, dubbed LSU3shell, by analyzing ab initio results for 6Li and 12C in large harmonic oscillator model spaces and SU(3)-selected subspaces. We demonstrate LSU3shell's strong-scaling properties achieved with highly-parallel methods for computing the many-body matrix elements. Results compare favorably with complete model space calculations and signi cant memory savings are achieved in physically important applications. In particular, a well-chosen symmetry-adapted basis a ords memory savings in calculations ofmore » states with a fixed total angular momentum in large model spaces while exactly preserving translational invariance.« less

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

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

Civitarese, Osvaldo; Suhonen, Jouni

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

Introduction to Python for CMF Authority Users

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

Pritchett-Sheats, Lori A.

This talk is a very broad over view of Python that highlights key features in the language used in the Common Model Framework (CMF). I assume that the audience has some programming experience in a shell scripting language (C shell, Bash, PERL) or other high level language (C/C++/ Fortran). The talk will cover Python data types, classes (objects) and basic programming constructs. The talk concludes with slides describing how I developed the basic classes for a TITANS homework assignment.

Graphitic carbon nitride nanosheet@metal-organic framework core-shell nanoparticles for photo-chemo combination therapy

NASA Astrophysics Data System (ADS)

Chen, Rui; Zhang, Jinfeng; Wang, Yu; Chen, Xianfeng; Zapien, J. Antonio; Lee, Chun-Sing

2015-10-01

Recently, nanoscale metal-organic frameworks (NMOFs) have started to be developed as a promising platform for bioimaging and drug delivery. On the other hand, combination therapies using multiple approaches are demonstrated to achieve much enhanced efficacy. Herein, we report, for the first time, core-shell nanoparticles consisting of a photodynamic therapeutic (PDT) agent and a MOF shell while simultaneously carrying a chemotherapeutic drug for effective combination therapy. In this work, core-shell nanoparticles of zeolitic-imadazolate framework-8 (ZIF-8) as shell embedded with graphitic carbon nitride (g-C3N4) nanosheets as core are fabricated by growing ZIF-8 in the presence of g-C3N4 nanosheets. Doxorubicin hydrochloride (DOX) is then loaded into the ZIF-8 shell of the core-shell nanoparticles. The combination of the chemotherapeutic effects of DOX and the PDT effect of g-C3N4 nanosheets can lead to considerably enhanced efficacy. Furthermore, the red fluorescence of DOX and the blue fluorescence of g-C3N4 nanosheets provide the additional function of dual-color imaging for monitoring the drug release process.Recently, nanoscale metal-organic frameworks (NMOFs) have started to be developed as a promising platform for bioimaging and drug delivery. On the other hand, combination therapies using multiple approaches are demonstrated to achieve much enhanced efficacy. Herein, we report, for the first time, core-shell nanoparticles consisting of a photodynamic therapeutic (PDT) agent and a MOF shell while simultaneously carrying a chemotherapeutic drug for effective combination therapy. In this work, core-shell nanoparticles of zeolitic-imadazolate framework-8 (ZIF-8) as shell embedded with graphitic carbon nitride (g-C3N4) nanosheets as core are fabricated by growing ZIF-8 in the presence of g-C3N4 nanosheets. Doxorubicin hydrochloride (DOX) is then loaded into the ZIF-8 shell of the core-shell nanoparticles. The combination of the chemotherapeutic effects of DOX and the PDT effect of g-C3N4 nanosheets can lead to considerably enhanced efficacy. Furthermore, the red fluorescence of DOX and the blue fluorescence of g-C3N4 nanosheets provide the additional function of dual-color imaging for monitoring the drug release process. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr04436g

Influence of the shell thickness and charge distribution on the effective interaction between two like-charged hollow spheres.

PubMed

Angelescu, Daniel G; Caragheorgheopol, Dan

2015-10-14

The mean-force and the potential of the mean force between two like-charged spherical shells were investigated in the salt-free limit using the primitive model and Monte Carlo simulations. Apart from an angular homogeneous distribution, a discrete charge distribution where point charges localized on the shell outer surface followed an icosahedral arrangement was considered. The electrostatic coupling of the model system was altered by the presence of mono-, trivalent counterions or small dendrimers, each one bearing a net charge of 9 e. We analyzed in detail how the shell thickness and the radial and angular distribution of the shell charges influenced the effective interaction between the shells. We found a sequence of the potential of the mean force similar to the like-charged filled spheres, ranging from long-range purely repulsive to short-range purely attractive as the electrostatic coupling increased. Both types of potentials were attenuated and an attractive-to-repulsive transition occurred in the presence of trivalent counterions as a result of (i) thinning the shell or (ii) shifting the shell charge from the outer towards the inner surface. The potential of the mean force became more attractive with the icosahedrally symmetric charge model, and additionally, at least one shell tended to line up with 5-fold symmetry axis along the longest axis of the simulation box at the maximum attraction. The results provided a basic framework of understanding the non-specific electrostatic origin of the agglomeration and long-range assembly of the viral nanoparticles.

Mirror energy difference and the structure of loosely bound proton-rich nuclei around A =20

NASA Astrophysics Data System (ADS)

Yuan, Cenxi; Qi, Chong; Xu, Furong; Suzuki, Toshio; Otsuka, Takaharu

2014-04-01

The properties of loosely bound proton-rich nuclei around A =20 are investigated within the framework of the nuclear shell model. In these nuclei, the strength of the effective interactions involving the loosely bound proton s1/2 orbit is significantly reduced in comparison with that of those in their mirror nuclei. We evaluate the reduction of the effective interaction by calculating the monopole-based-universal interaction (VMU) in the Woods-Saxon basis. The shell-model Hamiltonian in the sd shell, such as USD, can thus be modified to reproduce the binding energies and energy levels of the weakly bound proton-rich nuclei around A =20. The effect of the reduction of the effective interaction on the structure and decay properties of these nuclei is also discussed.

Effects of compressibility on the temperature jump at the interface of layered, spherical-shell convection

NASA Technical Reports Server (NTRS)

Yen, David A.; Zhang, Shuxia; Langenberger, Sherri E.

1988-01-01

Large temperature jumps at the interface of layered convection are important to the argument used against the likelihood of separate circulations in the upper and lower mantles. This problem was studied within the framework of a compressible, constant viscosity spherical-shell model. Both mechanical and thermal coupling configurations are considered. Although the temperature jumps are reduced by compressibility, their magnitudes remain quite large, in the case of mechanical coupling. For thermal coupling, the temperature jumps become smaller but still are substantial, between 500 to 1000 C. In layered spherical-shell convection, flows in the lower mantle are several times greater than the surface velocities.

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

Nag, Somnath; Singh, A. K.; Hagemann, G. B.

In this paper, high-spin states in 124Xe have been populated using the 80Se( 48Ca, 4n) reaction at a beam energy of 207 MeV and high-multiplicity, γ-ray coincidence events were measured using the Gammasphere spectrometer. Six high-spin rotational bands with moments of inertia similar to those observed in neighboring nuclei have been observed. The experimental results are compared with calculations within the framework of the Cranked Nilsson-Strutinsky model. Finally, it is suggested that the configurations of the bands involve excitations of protons across the Z = 50 shell gap coupled to neutrons within the N = 50 - 82 shell ormore » excited across the N = 82 shell closure.« less

The nuclear shell model toward the drip lines

NASA Astrophysics Data System (ADS)

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

2012-10-01

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

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

PubMed Central

Chen, Yong

2017-01-01

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

Theoretical Study of the Initial Stages of Self-Assembly of a Carboxysome’s Facet

DOE PAGES

Mahalik, J. P.; Brown, Kirsten A.; Cheng, Xiaolin; ...

2016-02-24

Bacterial microcompartments, BMCs, are organelles that exist within wide variety of bacteria and act as nanofactories. Among the different types of known BMCs, the carboxysome has been studied the most. The carboxysome plays an important role in the light-independent part of the photosynthesis process, where its icosahedral-like proteinaceous shell acts as a membrane that controls the transport of metabolites. Although a structural model exists for the carboxysome shell, it remains largely unknown how the shell proteins self-assemble. Understanding the self-assembly process can provide insights into how the shell affects the carboxysome s function and how it can be modified tomore » create new functionalities, such as artificial nanoreactors and artificial protein membranes. Here, we explain a theoretical framework that employs Monte Carlo simulations with a coarse-grain potential that reproduces well the atomistic potential of mean force; employing this framework, we are able to capture the initial stages of the 2D self-assembly of CcmK2 hexamers, a major protein-shell component of the carboxysome's facet. The simulations reveal that CcmK2 hexamers self-assemble into clusters that resemble what was seen experimentally in 2D layers. Further analysis of the simulation results suggests that the 2D self-assembly of carboxysome s facets is driven by a nucleation growth process, which in turn could play an important role in the hierarchical self- assembly of BMC shells in general.« less

Low energy dipole strength from large scale shell model calculations

NASA Astrophysics Data System (ADS)

Sieja, Kamila

2017-09-01

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

Egg shell quality in Japanese quail: characteristics, heritabilities and genetic and phenotypic relationships.

PubMed

Narinc, D; Aygun, A; Karaman, E; Aksoy, T

2015-07-01

The objective of the present study was to estimate heritabilities as well as genetic and phenotypic correlations for egg weight, specific gravity, shape index, shell ratio, egg shell strength, egg length, egg width and shell weight in Japanese quail eggs. External egg quality traits were measured on 5864 eggs of 934 female quails from a dam line selected for two generations. Within the Bayesian framework, using Gibbs Sampling algorithm, a multivariate animal model was applied to estimate heritabilities and genetic correlations for external egg quality traits. The heritability estimates for external egg quality traits were moderate to high and ranged from 0.29 to 0.81. The heritability estimates for egg and shell weight of 0.81 and 0.76 were fairly high. The genetic and phenotypic correlations between egg shell strength with specific gravity, shell ratio and shell weight ranging from 0.55 to 0.79 were relatively high. It can be concluded that it is possible to determine egg shell quality using the egg specific gravity values utilizing its high heritability and fairly high positive correlation with most of the egg shell quality traits. As a result, egg specific gravity may be the choice of selection criterion rather than other external egg traits for genetic improvement of egg shell quality in Japanese quails.

Formation of Double-Shelled Zinc-Cobalt Sulfide Dodecahedral Cages from Bimetallic Zeolitic Imidazolate Frameworks for Hybrid Supercapacitors.

PubMed

Zhang, Peng; Guan, Bu Yuan; Yu, Le; Lou, Xiong Wen David

2017-06-12

Complex metal-organic frameworks used as precursors allow design and construction of various nanostructured functional materials which might not be accessible by other methods. Here, we develop a sequential chemical etching and sulfurization strategy to prepare well-defined double-shelled zinc-cobalt sulfide (Zn-Co-S) rhombic dodecahedral cages (RDCs). Yolk-shelled zinc/cobalt-based zeolitic imidazolate framework (Zn/Co-ZIF) RDCs are first synthesized by a controlled chemical etching process, followed by a hydrothermal sulfurization reaction to prepare double-shelled Zn-Co-S RDCs. Moreover, the strategy reported in this work enables easy control of the Zn/Co molar ratio in the obtained double-shelled Zn-Co-S RDCs. Owing to the structural and compositional benefits, the obtained double-shelled Zn-Co-S RDCs exhibit enhanced performance with high specific capacitance (1266 F g -1 at 1 A g -1 ), good rate capability and long-term cycling stability (91 % retention over 10,000 cycles) as a battery-type electrode material for hybrid supercapacitors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Weak field equations and generalized FRW cosmology on the tangent Lorentz bundle

NASA Astrophysics Data System (ADS)

Triantafyllopoulos, A.; Stavrinos, P. C.

2018-04-01

We study field equations for a weak anisotropic model on the tangent Lorentz bundle TM of a spacetime manifold. A geometrical extension of general relativity (GR) is considered by introducing the concept of local anisotropy, i.e. a direct dependence of geometrical quantities on observer 4‑velocity. In this approach, we consider a metric on TM as the sum of an h-Riemannian metric structure and a weak anisotropic perturbation, field equations with extra terms are obtained for this model. As well, extended Raychaudhuri equations are studied in the framework of Finsler-like extensions. Canonical momentum and mass-shell equation are also generalized in relation to their GR counterparts. Quantization of the mass-shell equation leads to a generalization of the Klein–Gordon equation and dispersion relation for a scalar field. In this model the accelerated expansion of the universe can be attributed to the geometry itself. A cosmological bounce is modeled with the introduction of an anisotropic scalar field. Also, the electromagnetic field equations are directly incorporated in this framework.

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

NASA Astrophysics Data System (ADS)

Hergert, H.

2017-02-01

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

Recombination energy for negatively charged excitons inside type-II core/shell spherical quantum dots

NASA Astrophysics Data System (ADS)

Chafai, A.; Essaoudi, I.; Ainane, A.; Dujardin, F.; Ahuja, R.

2018-07-01

The recombination energy of isolated neutral exciton and that of isolated negatively charged exciton inside a type-II core/shell spherical quantum dot are studied. Our investigation considers the charge-carriers effective mass discontinuity at the surface contact between the core and shell materials. Although our model omits the effect of the surface polarization, the dielectric-constant mismatch at the nanodot boundaries was taken into account. In order to achieve the exciton and negative trion energies, we proceed by a variational calculation in the framework of the envelope approximation. Our results reveal a strong correlation between the nanodot morphology and the energy spectrum of the neutral and negatively charged exciton.

0ħω MEC effect on M1 properties of middle pf-shell nuclei

NASA Astrophysics Data System (ADS)

Nakada, H.; Sebe, T.

1994-09-01

M1 properties of middle pf-shell nuclei are studied within the framework of a large-scale shell-model calculation, by including two-body operators originating from the MEC effect within the 0ħω space. This MEC effect tends to enhance the M1 matrix elements slightly. However, the 0ħω MEC effect does not change the previous results so much, which have shown notable quenching in the magnetic moments of 55Co and 57Ni due to the 0ħω CP effect, while the 0ħω MEC effect should be kept track of in discussing the M1 properties with ⪅ 10% accuracy.

Mathematical modelling of fluid transport and its regulation at multiple scales.

PubMed

Chara, Osvaldo; Brusch, Lutz

2015-04-01

Living matter equals water, to a first approximation, and water transport across barriers such as membranes and epithelia is vital. Water serves two competing functions. On the one hand, it is the fundamental solvent enabling random mobility of solutes and therefore biochemical reactions and intracellular signal propagation. Homeostasis of the intracellular water volume is required such that messenger concentration encodes the stimulus and not inverse volume fluctuations. On the other hand, water flow is needed for transport of solutes to and away from cells in a directed manner, threatening volume homeostasis and signal transduction fidelity of cells. Feedback regulation of fluid transport reconciles these competing objectives. The regulatory mechanisms often span across multiple spatial scales from cellular interactions up to the architecture of organs. Open questions relate to the dependency of water fluxes and steady state volumes on control parameters and stimuli. We here review selected mathematical models of feedback regulation of fluid transport at the cell scale and identify a general "core-shell" structure of such models. We propose that fluid transport models at other spatial scales can be constructed in a generalised core-shell framework, in which the core accounts for the biophysical effects of fluid transport whilst the shell reflects the regulatory mechanisms. We demonstrate the applicability of this framework for tissue lumen growth and suggest future experiments in zebrafish to test lumen size regulation mechanisms. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

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

Perovic, Iva; Davidyants, Anastasia; Evans, John Spencer

In the mollusk shell there exists a framework silk fibroin-polysaccharide hydrogel coating around nacre aragonite tablets, and this coating facilitates the synthesis and organization of mineral nanoparticles into mesocrystals. In this report, we identify that a protein component of this coating, n16.3, is a hydrogelator. Due to the presence of intrinsic disorder, aggregation-prone regions, and nearly equal balance of anionic and cationic side chains, this protein assembles to form porous mesoscale hydrogel particles in solution and on mica surfaces. These hydrogel particles change their dimensionality, organization, and internal structure in response to pH and ions, particularly Ca(II), which indicates thatmore » these behave as ion-responsive or “smart” hydrogels. Thus, in addition to silk fibroins, the gel phase of the mollusk shell nacre framework layer may actually consist of several framework hydrogelator proteins, such as n16.3, which can promote mineral nanoparticle organization and assembly during the nacre biomineralization process and also serve as a model system for designing ion-responsive, composite, and smart hydrogels.« less

ControlShell - A real-time software framework

NASA Technical Reports Server (NTRS)

Schneider, Stanley A.; Ullman, Marc A.; Chen, Vincent W.

1991-01-01

ControlShell is designed to enable modular design and impplementation of real-time software. It is an object-oriented tool-set for real-time software system programming. It provides a series of execution and data interchange mechansims that form a framework for building real-time applications. These mechanisms allow a component-based approach to real-time software generation and mangement. By defining a set of interface specifications for intermodule interaction, ControlShell provides a common platform that is the basis for real-time code development and exchange.

Facile preparation of magnetic metal organic frameworks core-shell nanoparticles for stimuli-responsive drug carrier

NASA Astrophysics Data System (ADS)

Li, Sheng; Bi, Ke; Xiao, Ling; Shi, Xiaowen

2017-12-01

Facile synthesis of core-shell magnetic MOFs for drug delivery is of significance due to the advantages of high drug load and easy separation. In this work, magnetic metal organic frameworks (MOFs, Fe3O4-NH2@MIL101-NH2) core-shell nanoparticles were synthesized rapidly in water phase by microwave irradiation using Fe3+ and 2-amino-1,4-benzenedicarboxylate (BDC-NH2) as metal ions and ligands respectively. The resulting magnetic MOFs exhibit large surface areas (96.04 m2 g-1), excellent magnetic response (20.47 emu g-1) and large mesopore volume (22.07 cm3 g-1) along with spherical morphologies with the diameters ranging from 140-330 nm. Using doxorubicin (DOX) as a model drug, the drug loading capacity of Fe3O4-NH2@MIL101-NH2 could reach 36.02%, substantially higher than pristine MIL101-NH2. Importantly, the release of DOX could be controlled by pH as well as the meso pore size of MOFs. The cytotoxicity assay showed that the magnetic MOFs have low cytotoxicity and good biocompatibility. The results suggest great potential of the magnetic MOFs core-shell nanoparticles fabricated in this study on controlled drug release of DOX.

Facile preparation of magnetic metal organic frameworks core-shell nanoparticles for stimuli-responsive drug carrier.

PubMed

Li, Sheng; Bi, Ke; Xiao, Ling; Shi, Xiaowen

2017-12-08

Facile synthesis of core-shell magnetic MOFs for drug delivery is of significance due to the advantages of high drug load and easy separation. In this work, magnetic metal organic frameworks (MOFs, Fe 3 O 4 -NH 2 @MIL101-NH 2 ) core-shell nanoparticles were synthesized rapidly in water phase by microwave irradiation using Fe 3+ and 2-amino-1,4-benzenedicarboxylate (BDC-NH 2 ) as metal ions and ligands respectively. The resulting magnetic MOFs exhibit large surface areas (96.04 m 2 g -1 ), excellent magnetic response (20.47 emu g -1 ) and large mesopore volume (22.07 cm 3 g -1 ) along with spherical morphologies with the diameters ranging from 140-330 nm. Using doxorubicin (DOX) as a model drug, the drug loading capacity of Fe 3 O 4 -NH 2 @MIL101-NH 2 could reach 36.02%, substantially higher than pristine MIL101-NH 2 . Importantly, the release of DOX could be controlled by pH as well as the meso pore size of MOFs. The cytotoxicity assay showed that the magnetic MOFs have low cytotoxicity and good biocompatibility. The results suggest great potential of the magnetic MOFs core-shell nanoparticles fabricated in this study on controlled drug release of DOX.

Three-cluster dynamics within an ab initio framework

DOE PAGES

Quaglioni, Sofia; Romero-Redondo, Carolina; Navratil, Petr

2013-09-26

In this study, we introduce a fully antisymmetrized treatment of three-cluster dynamics within the ab initio framework of the no-core shell model/resonating-group method. Energy-independent nonlocal interactions among the three nuclear fragments are obtained from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with bound-state boundary conditions by means of the hyperspherical-harmonic method on a Lagrange mesh. We discuss the formalism in detail and give algebraic expressions for systems of two single nucleons plus a nucleus. Using a soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we apply the method to amore » 4He+n+n description of 6He and compare the results to experiment and to a six-body diagonalization of the Hamiltonian performed within the harmonic-oscillator expansions of the no-core shell model. Differences between the two calculations provide a measure of core ( 4He) polarization effects.« less

Observation of high-spin bands with large moments of inertia in Xe 124

DOE PAGES

Nag, Somnath; Singh, A. K.; Hagemann, G. B.; ...

2016-09-07

In this paper, high-spin states in 124Xe have been populated using the 80Se( 48Ca, 4n) reaction at a beam energy of 207 MeV and high-multiplicity, γ-ray coincidence events were measured using the Gammasphere spectrometer. Six high-spin rotational bands with moments of inertia similar to those observed in neighboring nuclei have been observed. The experimental results are compared with calculations within the framework of the Cranked Nilsson-Strutinsky model. Finally, it is suggested that the configurations of the bands involve excitations of protons across the Z = 50 shell gap coupled to neutrons within the N = 50 - 82 shell ormore » excited across the N = 82 shell closure.« less

Isogeometric Kirchhoff-Love shell formulations for biological membranes

PubMed Central

Tepole, Adrián Buganza; Kabaria, Hardik; Bletzinger, Kai-Uwe; Kuhl, Ellen

2015-01-01

Computational modeling of thin biological membranes can aid the design of better medical devices. Remarkable biological membranes include skin, alveoli, blood vessels, and heart valves. Isogeometric analysis is ideally suited for biological membranes since it inherently satisfies the C1-requirement for Kirchhoff-Love kinematics. Yet, current isogeometric shell formulations are mainly focused on linear isotropic materials, while biological tissues are characterized by a nonlinear anisotropic stress-strain response. Here we present a thin shell formulation for thin biological membranes. We derive the equilibrium equations using curvilinear convective coordinates on NURBS tensor product surface patches. We linearize the weak form of the generic linear momentum balance without a particular choice of a constitutive law. We then incorporate the constitutive equations that have been designed specifically for collagenous tissues. We explore three common anisotropic material models: Mooney-Rivlin, May Newmann-Yin, and Gasser-Ogden-Holzapfel. Our work will allow scientists in biomechanics and mechanobiology to adopt the constitutive equations that have been developed for solid three-dimensional soft tissues within the framework of isogeometric thin shell analysis. PMID:26251556

Nonlinear finite-element analysis of nanoindentation of viral capsids

NASA Astrophysics Data System (ADS)

Gibbons, Melissa M.; Klug, William S.

2007-03-01

Recent atomic force microscope (AFM) nanoindentation experiments measuring mechanical response of the protein shells of viruses have provided a quantitative description of their strength and elasticity. To better understand and interpret these measurements, and to elucidate the underlying mechanisms, this paper adopts a course-grained modeling approach within the framework of three-dimensional nonlinear continuum elasticity. Homogeneous, isotropic, elastic, thick-shell models are proposed for two capsids: the spherical cowpea chlorotic mottle virus (CCMV), and the ellipsocylindrical bacteriophage ϕ29 . As analyzed by the finite-element method, these models enable parametric characterization of the effects of AFM tip geometry, capsid dimensions, and capsid constitutive descriptions. The generally nonlinear force response of capsids to indentation is shown to be insensitive to constitutive particulars, and greatly influenced by geometric and kinematic details. Nonlinear stiffening and softening of the force response is dependent on the AFM tip dimensions and shell thickness. Fits of the models capture the roughly linear behavior observed in experimental measurements and result in estimates of Young’s moduli of ≈280-360MPa for CCMV and ≈4.5GPa for ϕ29 .

Effect of core-shell structure on optical properties of Au-Cu2O nanoparticles

NASA Astrophysics Data System (ADS)

Sai, Cong Doanh; Ngac, An Bang

2018-03-01

Solid Au-Cu2O core-shell nanoparticles were synthesized using gold nanoparticles of 16.6 nm in size as the core. The core-shell structure of the synthesized particles was confirmed and characterized by TEM and HRTEM images. Due to their similar crystal structure, the (111) planes of Cu2O are nucleated and grown epitaxially on the {111} facets of Au nanoparticles with the lattice mismatch of about 4.3% resulting in a polycrystallized Cu2O shell covering the Au nanocore. Due to the quantum confinement effect, the band gap energy Eg of the synthesized Cu2O shells is blue-shifted from 2.35 to 2.70 eV as the shell thickness decreases from of 24.6±3.6 to 9.0±1.7 nm. The localized SPR (Surface Plasmon Resonance) peak of the Au nanocore undergoes a large red shift of the order of a hundred of nm due to both the high refractive index and the increase of the thickness of Cu2O shell. Theoretical models within the Drude framework significantly underestimate the experimental data and predict a wrong rate of change of the SPR peak position with respect to the shell thickness.

Maxwell-Stefan diffusion: a framework for predicting condensed phase diffusion and phase separation in atmospheric aerosol

NASA Astrophysics Data System (ADS)

Fowler, Kathryn; Connolly, Paul J.; Topping, David O.; O'Meara, Simon

2018-02-01

The composition of atmospheric aerosol particles has been found to influence their micro-physical properties and their interaction with water vapour in the atmosphere. Core-shell models have been used to investigate the relationship between composition, viscosity and equilibration timescales. These models have traditionally relied on the Fickian laws of diffusion with no explicit account of non-ideal interactions. We introduce the Maxwell-Stefan diffusion framework as an alternative method, which explicitly accounts for non-ideal interactions through activity coefficients. e-folding time is the time it takes for the difference in surface and bulk concentration to change by an exponential factor and was used to investigate the interplay between viscosity and solubility and the effect this has on equilibration timescales within individual aerosol particles. The e-folding time was estimated after instantaneous increases in relative humidity to binary systems of water and an organic component. At low water mole fractions, viscous effects were found to dominate mixing. However, at high water mole fractions, equilibration times were more sensitive to a range in solubility, shown through the greater variation in e-folding times. This is the first time the Maxwell-Stefan framework has been applied to an atmospheric aerosol core-shell model and shows that there is a complex interplay between the viscous and solubility effects on aerosol composition that requires further investigation.

Quantum Monte Carlo simulation of the ferroelectric or ferrielectric nanowire with core shell morphology

NASA Astrophysics Data System (ADS)

Feraoun, A.; Zaim, A.; Kerouad, M.

2016-09-01

By using the Quantum Monte Carlo simulation; the electric properties of a nanowire, consisting of a ferroelectric core of spin-1/2 surrounded by a ferroelectric shell of spin-1/2 with ferro- or anti-ferroelectric interfacial coupling have been studied within the framework of the Transverse Ising Model (TIM). We have examined the effects of the shell coupling Js, the interfacial coupling JInt, the transverse field Ω, and the temperature T on the hysteresis behavior and on the electric properties of the system. The remanent polarization and the coercive field as a function of the transverse field and the temperature are examined. A number of characteristic behavior have been found such as the appearance of triple hysteresis loops for appropriate values of the system parameters.

A Sparse Bayesian Learning Algorithm for White Matter Parameter Estimation from Compressed Multi-shell Diffusion MRI.

PubMed

Pisharady, Pramod Kumar; Sotiropoulos, Stamatios N; Sapiro, Guillermo; Lenglet, Christophe

2017-09-01

We propose a sparse Bayesian learning algorithm for improved estimation of white matter fiber parameters from compressed (under-sampled q-space) multi-shell diffusion MRI data. The multi-shell data is represented in a dictionary form using a non-monoexponential decay model of diffusion, based on continuous gamma distribution of diffusivities. The fiber volume fractions with predefined orientations, which are the unknown parameters, form the dictionary weights. These unknown parameters are estimated with a linear un-mixing framework, using a sparse Bayesian learning algorithm. A localized learning of hyperparameters at each voxel and for each possible fiber orientations improves the parameter estimation. Our experiments using synthetic data from the ISBI 2012 HARDI reconstruction challenge and in-vivo data from the Human Connectome Project demonstrate the improvements.

On 3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Chen, P. C.; Dame, L. T.; Holt, R. V.; Huang, H.; Hartle, M.; Gellin, S.; Allen, D. H.; Haisler, W. E.

1986-01-01

Accomplishments are described for the 2-year program, to develop advanced 3-D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades and vanes. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulations models were developed; an eight-noded mid-surface shell element, a nine-noded mid-surface shell element and a twenty-noded isoparametric solid element. A separate computer program was developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

The 3D inelastic analysis methods for hot section components

NASA Technical Reports Server (NTRS)

Mcknight, R. L.; Maffeo, R. J.; Tipton, M. T.; Weber, G.

1992-01-01

A two-year program to develop advanced 3D inelastic structural stress analysis methods and solution strategies for more accurate and cost effective analysis of combustors, turbine blades, and vanes is described. The approach was to develop a matrix of formulation elements and constitutive models. Three constitutive models were developed in conjunction with optimized iterating techniques, accelerators, and convergence criteria within a framework of dynamic time incrementing. Three formulation models were developed: an eight-noded midsurface shell element; a nine-noded midsurface shell element; and a twenty-noded isoparametric solid element. A separate computer program has been developed for each combination of constitutive model-formulation model. Each program provides a functional stand alone capability for performing cyclic nonlinear structural analysis. In addition, the analysis capabilities incorporated into each program can be abstracted in subroutine form for incorporation into other codes or to form new combinations.

Metal-Organic-Framework-Derived Hybrid Carbon Nanocages as a Bifunctional Electrocatalyst for Oxygen Reduction and Evolution.

PubMed

Liu, Shaohong; Wang, Zhiyu; Zhou, Si; Yu, Fengjiao; Yu, Mengzhou; Chiang, Chang-Yang; Zhou, Wuzong; Zhao, Jijun; Qiu, Jieshan

2017-08-01

The oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) are cornerstone reactions for many renewable energy technologies. Developing cheap yet durable substitutes of precious-metal catalysts, especially the bifunctional electrocatalysts with high activity for both ORR and OER reactions and their streamlined coupling process, are highly desirable to reduce the processing cost and complexity of renewable energy systems. Here, a facile strategy is reported for synthesizing double-shelled hybrid nanocages with outer shells of Co-N-doped graphitic carbon (Co-NGC) and inner shells of N-doped microporous carbon (NC) by templating against core-shell metal-organic frameworks. The double-shelled NC@Co-NGC nanocages well integrate the high activity of Co-NGC shells into the robust NC hollow framework with enhanced diffusion kinetics, exhibiting superior electrocatalytic properties to Pt and RuO 2 as a bifunctional electrocatalyst for ORR and OER, and hold a promise as efficient air electrode catalysts in Zn-air batteries. First-principles calculations reveal that the high catalytic activities of Co-NGC shells are due to the synergistic electron transfer and redistribution between the Co nanoparticles, the graphitic carbon, and the doped N species. Strong yet favorable adsorption of an OOH* intermediate on the high density of uncoordinated hollow-site C atoms with respect to the Co lattice in the Co-NGC structure is a vital rate-determining step to achieve excellent bifunctional electrocatalytic activity. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fluid-structure interaction for nonlinear response of shells conveying pulsatile flow

NASA Astrophysics Data System (ADS)

Tubaldi, Eleonora; Amabili, Marco; Païdoussis, Michael P.

2016-06-01

Circular cylindrical shells with flexible boundary conditions conveying pulsatile flow and subjected to pulsatile pressure are investigated. The equations of motion are obtained based on the nonlinear Novozhilov shell theory via Lagrangian approach. The flow is set in motion by a pulsatile pressure gradient. The fluid is modeled as a Newtonian pulsatile flow and it is formulated using a hybrid model that contains the unsteady effects obtained from the linear potential flow theory and the pulsatile viscous effects obtained from the unsteady time-averaged Navier-Stokes equations. A numerical bifurcation analysis employs a refined reduced order model to investigate the dynamic behavior. The case of shells containing quiescent fluid subjected to the action of a pulsatile transmural pressure is also addressed. Geometrically nonlinear vibration response to pulsatile flow and transmural pressure are here presented via frequency-response curves and time histories. The vibrations involving both a driven mode and a companion mode, which appear due to the axial symmetry, are also investigated. This theoretical framework represents a pioneering study that could be of great interest for biomedical applications. In particular, in the future, a more refined model of the one here presented will possibly be applied to reproduce the dynamic behavior of vascular prostheses used for repairing and replacing damaged and diseased thoracic aorta in cases of aneurysm, dissection or coarctation. For this purpose, a pulsatile time-dependent blood flow model is here considered by applying physiological waveforms of velocity and pressure during the heart beating period. This study provides, for the first time in literature, a fully coupled fluid-structure interaction model with deep insights in the nonlinear vibrations of circular cylindrical shells subjected to pulsatile pressure and pulsatile flow.

The pearl oyster Pinctada fucata martensii genome and multi-omic analyses provide insights into biomineralization

PubMed Central

Fan, Guangyi; Jiao, Yu; Zhang, He; Huang, Ronglian; Zheng, Zhe; Bian, Chao; Deng, Yuewen; Wang, Qingheng; Wang, Zhongduo; Liang, Xinming; Liang, Haiying; Shi, Chengcheng; Zhao, Xiaoxia; Sun, Fengming; Hao, Ruijuan; Bai, Jie; Liu, Jialiang; Chen, Wenbin; Liang, Jinlian; Liu, Weiqing; Xu, Zhe; Shi, Qiong; Xu, Xun

2017-01-01

Abstract Nacre, the iridescent material found in pearls and shells of molluscs, is formed through an extraordinary process of matrix-assisted biomineralization. Despite recent advances, many aspects of the biomineralization process and its evolutionary origin remain unknown. The pearl oyster Pinctada fucata martensii is a well-known master of biomineralization, but the molecular mechanisms that underlie its production of shells and pearls are not fully understood. We sequenced the highly polymorphic genome of the pearl oyster and conducted multi-omic and biochemical studies to probe nacre formation. We identified a large set of novel proteins participating in matrix-framework formation, many in expanded families, including components similar to that found in vertebrate bones such as collagen-related VWA-containing proteins, chondroitin sulfotransferases, and regulatory elements. Considering that there are only collagen-based matrices in vertebrate bones and chitin-based matrices in most invertebrate skeletons, the presence of both chitin and elements of collagen-based matrices in nacre suggests that elements of chitin- and collagen-based matrices have deep roots and might be part of an ancient biomineralizing matrix. Our results expand the current shell matrix-framework model and provide new insights into the evolution of diverse biomineralization systems. PMID:28873964

Proton-neutron sdg boson model and spherical-deformed phase transition

NASA Astrophysics Data System (ADS)

Otsuka, Takaharu; Sugita, Michiaki

1988-12-01

The spherical-deformed phase transition in nuclei is described in terms of the proton-neutron sdg interacting boson model. The sdg hamiltonian is introduced to model the pairing+quadrupole interaction. The phase transition is reproduced in this framework as a function of the boson number in the Sm isotopes, while all parameters in the hamiltonian are kept constant at values reasonable from the shell-model point of view. The sd IBM is derived from this model through the renormalization of g-boson effects.

Shell-model method for Gamow-Teller transitions in heavy deformed odd-mass nuclei

NASA Astrophysics Data System (ADS)

Wang, Long-Jun; Sun, Yang; Ghorui, Surja K.

2018-04-01

A shell-model method for calculating Gamow-Teller (GT) transition rates in heavy deformed odd-mass nuclei is presented. The method is developed within the framework of the projected shell model. To implement the computation requirement when many multi-quasiparticle configurations are included in the basis, a numerical advancement based on the Pfaffian formula is introduced. With this new many-body technique, it becomes feasible to perform state-by-state calculations for the GT nuclear matrix elements of β -decay and electron-capture processes, including those at high excitation energies in heavy nuclei which are usually deformed. The first results, β- decays of the well-deformed A =153 neutron-rich nuclei, are shown as the example. The known log(f t ) data corresponding to the B (GT- ) decay rates of the ground state of 153Nd to the low-lying states of 153Pm are well described. It is further shown that the B (GT) distributions can have a strong dependence on the detailed microscopic structure of relevant states of both the parent and daughter nuclei.

MOF-derived hierarchical double-shelled NiO/ZnO hollow spheres for high-performance supercapacitors.

PubMed

Li, Guo-Chang; Liu, Peng-Fei; Liu, Rui; Liu, Minmin; Tao, Kai; Zhu, Shuai-Ru; Wu, Meng-Ke; Yi, Fei-Yan; Han, Lei

2016-09-14

Nanorods-composed yolk-shell bimetallic-organic frameworks microspheres are successfully synthesized by a one-step solvothermal method in the absence of any template or surfactant. Furthermore, hierarchical double-shelled NiO/ZnO hollow spheres are obtained by calcination of the bimetallic organic frameworks in air. The NiO/ZnO hollow spheres, as supercapacitor electrodes, exhibit high capacitance of 497 F g(-1) at the current density of 1.3 A g(-1) and present a superior cycling stability. The superior electrochemical performance is believed to come from the unique double-shelled NiO/ZnO hollow structures, which offer free space to accommodate the volume change during the ion insertion and desertion processes, as well as provide rich electroactive sites for the electrochemical reactions.

Singlet-paired coupled cluster theory for open shells

NASA Astrophysics Data System (ADS)

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

2016-06-01

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 for 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.

Cracking the chocolate egg problem: polymeric films coated on curved substrates

NASA Astrophysics Data System (ADS)

Brun, Pierre-Thomas; Lee, Anna; Marthelot, Joel; Balestra, Gioele; Gallaire, François; Reis, Pedro

2015-11-01

Inspired by the traditional chocolate egg recipe, we show that pouring a polymeric solution onto spherical molds yields a simple and robust path of fabrication of thin elastic curved shells. The drainage dynamics naturally leads to uniform coatings frozen in time as the polymer cures, which are subsequently peeled off their mold. We show how the polymer curing affects the drainage dynamics and eventually selects the shell thickness and sets its uniformity. To this end, we perform coating experiments using silicon based elastomers, Vinylpolysiloxane (VPS) and Polydimethylsiloxane (PDMS). These results are rationalized combining numerical simulations of the lubrication flow field to a theoretical model of the dynamics yielding an analytical prediction of the formed shell characteristics. In particular, the robustness of the coating technique and its flexibility, two critical features for providing a generic framework for future studies, are shown to be an inherent consequence of the flow field (memory loss). The shell structure is both independent of initial conditions and tailorable by changing a single experimental parameter.

Efficacy of the SU(3) scheme for ab initio large-scale calculations beyond the lightest nuclei

DOE PAGES

Dytrych, T.; Maris, P.; Launey, K. D.; ...

2016-06-22

We report on the computational characteristics of ab initio nuclear structure calculations in a symmetry-adapted no-core shell model (SA-NCSM) framework. We examine the computational complexity of the current implementation of the SA-NCSM approach, dubbed LSU3shell, by analyzing ab initio results for 6Li and 12C in large harmonic oscillator model spaces and SU3-selected subspaces. We demonstrate LSU3shell’s strong-scaling properties achieved with highly-parallel methods for computing the many-body matrix elements. Results compare favorably with complete model space calculations and significant memory savings are achieved in physically important applications. In particular, a well-chosen symmetry-adapted basis affords memory savings in calculations of states withmore » a fixed total angular momentum in large model spaces while exactly preserving translational invariance.« less

Reverse-Engineering Laboratory Astrophysics: Oxygen Inner-shell Absorption in the ISM

NASA Technical Reports Server (NTRS)

Garcia, J.; Gatuzz, E.; Kallman, T. R.; Mendoza, C.; Gorczyca, T. W.

2017-01-01

The modeling of X-ray spectra from photoionized astrophysical plasmas has been significantly improved due to recent advancements in the theoretical and numerical frameworks, as well as a consolidated and reliable atomic database of inner-shell transitions for all the relevant ions. We discuss these developments and the current state of X-ray spectral modeling in the context of oxygen cold absorption in the interstellar medium (ISM). Unconventionally, we use high-resolution astrophysical observations to accurately determine line positions, and adjust the theoretical models for a comprehensive interpretation of the observed X-ray spectra. This approach has brought to light standing discrepancies in the neutral oxygen absorption-line positions determined from observations and laboratory measurements. We give an overview of our current efforts to devise a definitive model of oxygen photoabsorption that can help to resolve the existing controversy regarding ISM atomic and molecular fractions.

Reverse-engineering laboratory astrophysics: Oxygen inner-shell absorption in the ISM

NASA Astrophysics Data System (ADS)

García, J.; Gatuzz, E.; Kallman, T. R.; Mendoza, C.; Gorczyca, T. W.

2017-03-01

The modeling of X-ray spectra from photoionized astrophysical plasmas has been significantly improved due to recent advancements in the theoretical and numerical frameworks, as well as a consolidated and reliable atomic database of inner-shell transitions for all the relevant ions. We discuss these developments and the current state of X-ray spectral modeling in the context of oxygen cold absorption in the interstellar medium (ISM). Unconventionally, we use high-resolution astrophysical observations to accurately determine line positions, and adjust the theoretical models for a comprehensive interpretation of the observed X-ray spectra. This approach has brought to light standing discrepancies in the neutral oxygen absorption-line positions determined from observations and laboratory measurements. We give an overview of our current efforts to devise a definitive model of oxygen photoabsorption that can help to resolve the existing controversy regarding ISM atomic and molecular fractions.

A robust approach for analysing dispersion of elastic waves in an orthotropic cylindrical shell

NASA Astrophysics Data System (ADS)

Kaplunov, J.; Nobili, A.

2017-08-01

Dispersion of elastic waves in a thin orthotropic cylindrical shell is considered, within the framework of classical 2D Kirchhoff-Love theory. In contrast to direct multi-parametric analysis of the lowest propagating modes, an alternative robust approach is proposed that simply requires evaluation of the evanescent modes (quasi-static edge effect), which, at leading order, do not depend on vibration frequency. A shortened dispersion relation for the propagating modes is then derived by polynomial division and its accuracy is numerically tested against the full Kirchhoff-Love dispersion relation. It is shown that the same shortened relation may be also obtained from a refined dynamic version of the semi-membrane theory for cylindrical shells. The presented results may be relevant for modelling various types of nanotubes which, according to the latest experimental findings, possess strong material anisotropy.

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

NASA Astrophysics Data System (ADS)

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

2015-03-01

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

A Plasmonic Colloidal Photocatalyst Composed of a Metal-Organic Framework Core and a Gold/Anatase Shell for Visible-Light-Driven Wastewater Purification from Antibiotics and Hydrogen Evolution.

PubMed

Tilgner, Dominic; Kempe, Rhett

2017-03-02

Porous coordination polymers (PCP) or metal- organic frameworks (MOF) are promising materials for the generation of photocatalytically active composite materials. Here, a novel synthesis concept is reported, which permits the formation of PCP/MOF-core-Au/anatase-shell materials. These materials are photocatalysts for wastewater purification and hydrogen generation from water under visible-light illumination. MIL-101 (Cr) is utilized as the core material, which directs the size of the core-shell compound and ensures the overall stability. In addition, its excellent reversible large molecule sorption behavior allows the materials synthesis. The crystalline anatase shell is generated stepwise under mild conditions using titanium(IV) isopropoxide as a precursor. The high degree of control of the vapor phase deposition process permits the precise anatase shell formation. The generation of plasmonic active gold particles on the TiO 2 shell leads to an efficient material for visible-light-driven photocatalysis with a higher activity than gold-decorated P25 (Degussa). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Collapsing shells and black holes: a quantum analysis

NASA Astrophysics Data System (ADS)

Leal, P.; Bernardini, A. E.; Bertolami, O.

2018-06-01

The quantization of a spherically symmetric null shells is performed and extended to the framework of phase-space noncommutative (NC) quantum mechanics. This shell is considered to be inside a black hole event horizon. The encountered properties are investigated making use of the Israel junction conditions on the shell, considering that it is the boundary between two spherically symmetric spacetimes. Using this method, and considering two different Kantowski–Sachs spacetimes as a representation for the Schwarzschild spacetime, the relevant quantities on the shell are computed, such as its stress-energy tensor and the action for the whole spacetime. From the obtained action, the Wheeler–deWitt equation is deduced in order to provide the quantum framework for the system. Solutions for the wave function of the system are found on both the commutative and NC scenarios. It is shown that, on the commutative version, the wave function has a purely oscillatory behavior in the interior of the shell. In the NC setting, it is shown that the wave function vanishes at the singularity, as well as, at the event horizon of the black hole.

Estimating Bulk Entrainment With Unaggregated and Aggregated Convection

NASA Astrophysics Data System (ADS)

Becker, Tobias; Bretherton, Christopher S.; Hohenegger, Cathy; Stevens, Bjorn

2018-01-01

To investigate how entrainment is influenced by convective organization, we use the ICON (ICOsahedral Nonhydrostatic) model in a radiative-convective equilibrium framework, with a 1 km spatial grid mesh covering a 600 by 520 km2 domain. We analyze two simulations, with unaggregated and aggregated convection, and find that, in the lower free troposphere, the bulk entrainment rate increases when convection aggregates. The increase of entrainment rate with aggregation is caused by a strong increase of turbulence in the close environment of updrafts, masking other effects like the increase of updraft size and of static stability with aggregation. Even though entrainment rate increases with aggregation, updraft buoyancy reduction through entrainment decreases because aggregated updrafts are protected by a moist shell. Parameterizations that wish to represent mesoscale convective organization would need to model this moist shell.

Room-temperature synthesis of core-shell structured magnetic covalent organic frameworks for efficient enrichment of peptides and simultaneous exclusion of proteins.

PubMed

Lin, Guo; Gao, Chaohong; Zheng, Qiong; Lei, Zhixian; Geng, Huijuan; Lin, Zian; Yang, Huanghao; Cai, Zongwei

2017-03-28

Core-shell structured magnetic covalent organic frameworks (Fe 3 O 4 @COFs) were synthesized via a facile approach at room temperature. Combining the advantages of high porosity, magnetic responsiveness, chemical stability and selectivity, Fe 3 O 4 @COFs can serve as an ideal absorbent for the highly efficient enrichment of peptides and the simultaneous exclusion of proteins from complex biological samples.

Estimating local, organic, and other price premiums of shell eggs in Hawaii.

PubMed

Loke, Matthew K; Xu, Xun; Leung, PingSun

2016-05-01

Hedonic modeling and retail scanner data were utilized to investigate the influence of local, organic, nutrition benefits, and other attributes of shell eggs on retail price premium in Hawaii. Within a revealed preference framework, the analysis of local and organic attributes, simultaneously, under a single unified setting is important, as such work is highly deficient in the published literature. This paper finds high to moderate price premiums in four key attributes of shell eggs - organic (64%), local (40%), nutrition benefits claimed (33%), and brown shell (18.4%). Large and extra-large sized eggs also experience price premiums over medium sized eggs. With each larger packing size, the estimated coefficients were negative, indicating a price discount, relative to the baseline packing size. However, there is no evidence to support the overwhelming influence of "local" over "organic", as hypothesized in other research work. Overall, the findings in this paper suggest industry producers and retailers should highlight and market effusively the primary attributes of their shell eggs, including "local", to remain competitive in the marketplace. Effective communication channels are crucial to delivering the product information, capturing the attention of consumers, and securing retail sales. © 2016 Poultry Science Association Inc.

Hollow Pd/MOF Nanosphere with Double Shells as Multifunctional Catalyst for Hydrogenation Reaction.

PubMed

Wan, Mingming; Zhang, Xinlu; Li, Meiyan; Chen, Bo; Yin, Jie; Jin, Haichao; Lin, Lin; Chen, Chao; Zhang, Ning

2017-10-01

A new type of hollow nanostructure featured double metal-organic frameworks shells with metal nanoparticles (MNPs) is designed and fabricated by the methods of ship in a bottle and bottle around the ship. The nanostructure material, hereinafter denoted as Void@HKUST-1/Pd@ZIF-8, is confirmed by the analyses of photograph, transmission electron microscopy, scanning electron microscopy, powder X-ray diffraction, inductively coupled plasma, and N 2 sorption. It possesses various multifunctionally structural characteristics such as hollow cavity which can improve mass transfer, the adjacent of the inner HKUST-1 shell to the void which enables the matrix of the shell to host and well disperse MNPs, and an outer ZIF-8 shell which acts as protective layer against the leaching of MNPs and a sieve to guarantee molecular-size selectivity. This makes the material eligible candidates for the heterogeneous catalyst. As a proof of concept, the liquid-phase hydrogenation of olefins with different molecular sizes as a model reaction is employed. It demonstrates the efficient catalytic activity and size-selectivity of Void@HKUST-1/Pd@ZIF-8. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The nature of the Vela X-ray ``jet". The Rayleigh-Taylor instability and the origin of filamentary structures in the Vela supernova remnant

NASA Astrophysics Data System (ADS)

Gvaramadze, Vasilii

1999-12-01

The nature of the Vela X-ray ``jet", recently discovered by Markwardt & Ögelman (1995), is examined. It is suggested that the ``jet" arises along the interface of domelike deformations of the Rayleigh-Taylor unstable shell of the Vela supernova remnant; thereby the ``jet" is interpreted as a part of the general shell of the remnant. The origin of deformations as well as the general structure of the remnant are discussed in the framework of a model based on a cavity explosion of a supernova star. It is suggested that the shell deformations viewed at various angles appear as filamentary structures visible throughout the Vela supernova remnant at radio, optical, and X-ray wavelengths. A possible origin of the nebula of hard X-ray emission detected by Willmore et al. (1992) around the Vela pulsar is proposed.

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.

Contact interaction of thin-walled elements with an elastic layer and an infinite circular cylinder under torsion

NASA Astrophysics Data System (ADS)

Kanetsyan, E. G.; Mkrtchyan, M. S.; Mkhitaryan, S. M.

2018-04-01

We consider a class of contact torsion problems on interaction of thin-walled elements shaped as an elastic thin washer – a flat circular plate of small height – with an elastic layer, in particular, with a half-space, and on interaction of thin cylindrical shells with a solid elastic cylinder, infinite in both directions. The governing equations of the physical models of elastic thin washers and thin circular cylindrical shells under torsion are derived from the exact equations of mathematical theory of elasticity using the Hankel and Fourier transforms. Within the framework of the accepted physical models, the solution of the contact problem between an elastic washer and an elastic layer is reduced to solving the Fredholm integral equation of the first kind with a kernel representable as a sum of the Weber–Sonin integral and some integral regular kernel, while solving the contact problem between a cylindrical shell and solid cylinder is reduced to a singular integral equation (SIE). An effective method for solving the governing integral equations of these problems are specified.

Stability of thin shell wormholes with a modified Chaplygin gas in Einstein-Hoffman-Born-Infeld theory

NASA Astrophysics Data System (ADS)

Eid, A.

2017-11-01

In the framework of Darmois-Israel formalism, the dynamics of motion equations of spherically symmetric thin shell wormholes that are supported by a modified Chaplygin gas in Einstein-Hoffman-Born-Infeld theory are constructed. The stability analysis of a thin shell wormhole is also discussed using a linearized radial perturbation around static solutions at the wormhole throat. The existence of stable static solutions depends on the value of some parameters of dynamical shell.

Stability of cylindrical thin shell wormholes supported by MGCG in f(R) gravity

NASA Astrophysics Data System (ADS)

Eid, A.

2018-02-01

In the framework of f(R) modified theory of gravity, the dynamical equations of motion of a cylindrical thin shell wormholes supported by a modified generalized Chaplygin gas are constructed, using the cut and paste scheme (Darmois Israel formalism). The mechanical stability analysis of a cylindrical thin shell wormhole is discussed using a linearized radial perturbation around static solutions at the wormhole throat. The presence of stable static solutions depends on the suitable values of some parameters of dynamical shell.

PyPWA: A partial-wave/amplitude analysis software framework

NASA Astrophysics Data System (ADS)

Salgado, Carlos

2016-05-01

The PyPWA project aims to develop a software framework for Partial Wave and Amplitude Analysis of data; providing the user with software tools to identify resonances from multi-particle final states in photoproduction. Most of the code is written in Python. The software is divided into two main branches: one general-shell where amplitude's parameters (or any parametric model) are to be estimated from the data. This branch also includes software to produce simulated data-sets using the fitted amplitudes. A second branch contains a specific realization of the isobar model (with room to include Deck-type and other isobar model extensions) to perform PWA with an interface into the computer resources at Jefferson Lab. We are currently implementing parallelism and vectorization using the Intel's Xeon Phi family of coprocessors.

Systematics of nuclear ground state properties in 78-100Sr by laser spectroscopy

NASA Astrophysics Data System (ADS)

Buchinger, F.; Ramsay, E. B.; Arnold, E.; Neu, W.; Neugart, R.; Wendt, K.; Silverans, R. E.; Lievens, P.; Vermeeren, L.; Berdichevsky, D.; Fleming, R.; Sprung, D. W. L.; Ulm, G.

1990-06-01

Hyperfine structures and isotope shifts of strontium isotopes with A=78 to A=98 and A=100 were measured by collinear fast beam laser spectroscopy. Nuclear spins, moments and changes in mean square charge radii are extracted from the data. The spins and moments of most of the odd isotopes are explained in the framework of the single particle model. The changes in mean square charge radii are compared with predictions of the droplet model and of Hartree-Fock-plus-BCS calculations. For the isotopes in the transitional regions below and above the N=50 shell closure, the inclusion of quadrupole zero point motion in the Droplet model describes part of the observed shell effect. An additional change in the surface region of the charge distribution at spherical shape is suggested by the microscopic model. Furthermore, we propose that the isotopes 78Sr and 80Sr may show an unusual shape-sharing structure, with different mean deformations in the ground and 2+1 excited states.

Nonnegative definite EAP and ODF estimation via a unified multi-shell HARDI reconstruction.

PubMed

Cheng, Jian; Jiang, Tianzi; Deriche, Rachid

2012-01-01

In High Angular Resolution Diffusion Imaging (HARDI), Orientation Distribution Function (ODF) and Ensemble Average Propagator (EAP) are two important Probability Density Functions (PDFs) which reflect the water diffusion and fiber orientations. Spherical Polar Fourier Imaging (SPFI) is a recent model-free multi-shell HARDI method which estimates both EAP and ODF from the diffusion signals with multiple b values. As physical PDFs, ODFs and EAPs are nonnegative definite respectively in their domains S2 and R3. However, existing ODF/EAP estimation methods like SPFI seldom consider this natural constraint. Although some works considered the nonnegative constraint on the given discrete samples of ODF/EAP, the estimated ODF/EAP is not guaranteed to be nonnegative definite in the whole continuous domain. The Riemannian framework for ODFs and EAPs has been proposed via the square root parameterization based on pre-estimated ODFs and EAPs by other methods like SPFI. However, there is no work on how to estimate the square root of ODF/EAP called as the wavefuntion directly from diffusion signals. In this paper, based on the Riemannian framework for ODFs/EAPs and Spherical Polar Fourier (SPF) basis representation, we propose a unified model-free multi-shell HARDI method, named as Square Root Parameterized Estimation (SRPE), to simultaneously estimate both the wavefunction of EAPs and the nonnegative definite ODFs and EAPs from diffusion signals. The experiments on synthetic data and real data showed SRPE is more robust to noise and has better EAP reconstruction than SPFI, especially for EAP profiles at large radius.

Photoionization cross section and binding energy of single dopant in hollow cylindrical core/shell quantum dot

NASA Astrophysics Data System (ADS)

Feddi, E.; El-Yadri, M.; Dujardin, F.; Restrepo, R. L.; Duque, C. A.

2017-02-01

In this study, we have investigated the confined donor impurity in a hollow cylindrical-shell quantum dot. The charges are assumed to be completely confined to the interior of the shell with rigid walls. Within the framework of the effective-mass approximation and by using a simple variational approach, we have computed the donor binding energy as a function of the shell sizes in order to study the behavior of the electron-impurity attraction for a very small thickness. Our results show that the binding energy of a donor impurity placed at the center of cylindrical core/shell dots depends strongly on the shell size. The binding energy increases when the shell-wideness becomes smaller and shows the same behavior as in a simple cylindrical quantum dot. A special case has been studied, which corresponds to the ratio between the inner and outer radii near to one (a/b → 1) for which our model gives a non-significant behavior of the impurity binding energy. This fact implies the existence of a critical value (a/b) for which the binding energy of the donor impurity tends to the limit value of 4 effective Rydbergs as in a 2D quantum well. We also analyse the photoionization cross section considering only the in-plane incident radiation polarization. We determine its behavior as a function of photon energy, shell size, and donor position. The measurement of photoionization in such systems would be of great interest to understand the optical properties of carriers in quantum dots.

From waste to resource: a systems-based approach to sustainable community development through equitable enterprise and agriculturally-derived polymeric composites

NASA Astrophysics Data System (ADS)

Teipel, Elisa

Rural communities in developing countries are most vulnerable to the plight of requiring repeated infusions of charitable aid over time. Micro-business opportunities that effectively break the cycle of poverty in resource-rich countries in the developing world are limited. However, a strong model for global commerce can break the cycle of donor-based economic supplements and limited local economic growth. Sustainable economic development can materialize when a robust framework combines engineering with the generous investment of profits back into the community. This research presents a novel, systems-based approach to sustainable community development in which a waste-to-resource methodology catalyzes the disruption of rural poverty. The framework developed in this thesis was applied to the rural communities of Cagmanaba and Badian, Philippines. An initial assessment of these communities showed that community members are extremely poor, but they possess an abundant natural resource: coconuts. The various parts of the coconut offer excellent potential value in global commerce. Today the sale of coconut water is on the rise, and coconut oil is an established $3 billion market annually that is also growing rapidly. Since these current industries harvest only two parts of the coconut (meat and water), the 50 billion coconuts that grow annually leave behind approximately 100 billion pounds of coconut shell and husk as agricultural waste. Coconuts thus provide an opportunity to create and test a waste-to-resource model. Intensive materials analysis, research, development, and optimization proved that coconut shell, currently burned as a fuel or discarded as agricultural waste, can be manufactured into high-grade coconut shell powder (CSP), which can be a viable filler in polymeric composites. This framework was modeled and tested as a case study in a manufacturing facility known as a Community Transformation Plant (CTP) in Cagmanaba, Philippines. The CTP enables local creation of globally viable products from agricultural waste. This researcher seeks to encourage the propagation of CTPs throughout developing communities worldwide, each profiting from its own waste-to-resource value.

Quantified Gamow shell model interaction for p s d -shell nuclei

NASA Astrophysics Data System (ADS)

Jaganathen, Y.; Betan, R. M. Id; Michel, N.; Nazarewicz, W.; Płoszajczak, M.

2017-11-01

Background: The structure of weakly bound and unbound nuclei close to particle drip lines is one of the major science drivers of nuclear physics. A comprehensive understanding of these systems goes beyond the traditional configuration interaction approach formulated in the Hilbert space of localized states (nuclear shell model) and requires an open quantum system description. The complex-energy Gamow shell model (GSM) provides such a framework as it is capable of describing resonant and nonresonant many-body states on equal footing. Purpose: To make reliable predictions, quality input is needed that allows for the full uncertainty quantification of theoretical results. In this study, we carry out the optimization of an effective GSM (one-body and two-body) interaction in the p s d f -shell-model space. The resulting interaction is expected to describe nuclei with 5 ≤A ≲12 at the p -s d -shell interface. Method: The one-body potential of the 4He core is modeled by a Woods-Saxon + spin-orbit + Coulomb potential, and the finite-range nucleon-nucleon interaction between the valence nucleons consists of central, spin-orbit, tensor, and Coulomb terms. The GSM is used to compute key fit observables. The χ2 optimization is performed using the Gauss-Newton algorithm augmented by the singular value decomposition technique. The resulting covariance matrix enables quantification of statistical errors within the linear regression approach. Results: The optimized one-body potential reproduces nucleon-4He scattering phase shifts up to an excitation energy of 20 MeV. The two-body interaction built on top of the optimized one-body field is adjusted to the bound and unbound ground-state binding energies and selected excited states of the helium, lithium, and beryllium isotopes up to A =9 . A very good agreement with experimental results was obtained for binding energies. First applications of the optimized interaction include predictions for two-nucleon correlation densities and excitation spectra of light nuclei with quantified uncertainties. Conclusion: The new interaction will enable comprehensive and fully quantified studies of structure and reactions aspects of nuclei from the p s d region of the nuclear chart.

Quantified Gamow shell model interaction for p s d -shell nuclei

DOE PAGES

Jaganathen, Y.; Betan, R. M. Id; Michel, N.; ...

2017-11-20

Background: The structure of weakly bound and unbound nuclei close to particle drip lines is one of the major science drivers of nuclear physics. A comprehensive understanding of these systems goes beyond the traditional configuration interaction approach formulated in the Hilbert space of localized states (nuclear shell model) and requires an open quantum system description. The complex-energy Gamow shell model (GSM) provides such a framework as it is capable of describing resonant and nonresonant many-body states on equal footing. Purpose: To make reliable predictions, quality input is needed that allows for the full uncertainty quantification of theoretical results. In thismore » study, we carry out the optimization of an effective GSM (one-body and two-body) interaction in the psdf-shell-model space. The resulting interaction is expected to describe nuclei with 5 ≤ A ≲ 12 at the p-sd-shell interface. Method: The one-body potential of the 4He core is modeled by a Woods-Saxon + spin-orbit + Coulomb potential, and the finite-range nucleon-nucleon interaction between the valence nucleons consists of central, spin-orbit, tensor, and Coulomb terms. The GSM is used to compute key fit observables. The χ 2 optimization is performed using the Gauss-Newton algorithm augmented by the singular value decomposition technique. The resulting covariance matrix enables quantification of statistical errors within the linear regression approach. Results: The optimized one-body potential reproduces nucleon- 4He scattering phase shifts up to an excitation energy of 20 MeV. The two-body interaction built on top of the optimized one-body field is adjusted to the bound and unbound ground-state binding energies and selected excited states of the helium, lithium, and beryllium isotopes up to A = 9 . A very good agreement with experimental results was obtained for binding energies. First applications of the optimized interaction include predictions for two-nucleon correlation densities and excitation spectra of light nuclei with quantified uncertainties. In conclusion: The new interaction will enable comprehensive and fully quantified studies of structure and reactions aspects of nuclei from the psd region of the nuclear chart.« less

Timoshenko-Type Theory in the Stability Analysis of Corrugated Cylindrical Shells

NASA Astrophysics Data System (ADS)

Semenyuk, N. P.; Neskhodovskaya, N. A.

2002-06-01

A technique is proposed for stability analysis of longitudinally corrugated shells under axial compression. The technique employs the equations of the Timoshenko-type nonlinear theory of shells. The geometrical parameters of shells are specified on discrete set of points and are approximated by segments of Fourier series. Infinite systems of homogeneous algebraic equations are derived from a variational equation written in displacements to determine the critical loads and buckling modes. Specific types of corrugated isotropic metal and fiberglass shells are considered. The calculated results are compared with those obtained within the framework of the classical theory of shells. It is shown that the Timoshenko-type theory extends significantly the possibility of exact allowance for the geometrical parameters and material properties of corrugated shells compared with Kirchhoff-Love theory.

Room temperature exchange bias in multiferroic BiFeO3 nano- and microcrystals with antiferromagnetic core and two-dimensional diluted antiferromagnetic shell

NASA Astrophysics Data System (ADS)

Zhang, Chuang; Wang, Shou Yu; Liu, Wei Fang; Xu, Xun Ling; Li, Xiu; Zhang, Hong; Gao, Ju; Li, De Jun

2017-05-01

Exchange bias (EB) of multiferroics presents many potential opportunities for magnetic devices. However, instead of using low-temperature field cooling in the hysteresis loop measurement, which usually shows an effective approach to obtain obvious EB phenomenon, there are few room temperature EB. In this article, extensive studies on room temperature EB without field cooling were observed in BiFeO3 nano- and microcrystals. Moreover, with increasing size the hysteresis loops shift from horizontal negative exchange bias (NEB) to positive exchange bias (PEB). In order to explain the tunable EB behaviors with size dependence, a phenomenological qualitative model based on the framework of antiferromagnetic (AFM) core-two-dimensional diluted antiferromagnet in a field (2D-DAFF) shell structure was proposed. The training effect (TE) ascertained the validity of model and the presence of unstable magnetic structure using Binek's model. Experimental results show that the tunable EB effect can be explained by the competition of ferromagnetic (FM) exchange coupling and AFM exchange coupling interaction between AFM core and 2D-DAFF shell. Additionally, the local distortion of lattice fringes was observed in hexagonal-shaped BiFeO3 nanocrystals with well-dispersed behavior. The electrical conduction properties agreed well with the space charge-limited conduction mechanism.

Metal-Organic Frameworks Derived Porous Core/Shell Structured ZnO/ZnCo2O4/C Hybrids as Anodes for High-Performance Lithium-Ion Battery.

PubMed

Ge, Xiaoli; Li, Zhaoqiang; Wang, Chengxiang; Yin, Longwei

2015-12-09

Metal-organic frameworks (MOFs) derived porous core/shell ZnO/ZnCo2O4/C hybrids with ZnO as a core and ZnCo2O4 as a shell are for the first time fabricated by using core/shell ZnCo-MOF precursors as reactant templates. The unique MOFs-derived core/shell structured ZnO/ZnCo2O4/C hybrids are assembled from nanoparticles of ZnO and ZnCo2O4, with homogeneous carbon layers coated on the surface of the ZnCo2O4 shell. When acting as anode materials for lithium-ion batteries (LIBs), the MOFs-derived porous ZnO/ZnCo2O4/C anodes exhibit outstanding cycling stability, high Coulombic efficiency, and remarkable rate capability. The excellent electrochemical performance of the ZnO/ZnCo2O4/C LIB anodes can be attributed to the synergistic effect of the porous structure of the MOFs-derived core/shell ZnO/ZnCo2O4/C and homogeneous carbon layer coating on the surface of the ZnCo2O4 shells. The hierarchically porous core/shell structure offers abundant active sites, enhances the electrode/electrolyte contact area, provides abundant channels for electrolyte penetration, and also alleviates the structure decomposition induced by Li(+) insertion/extraction. The carbon layers effectively improve the conductivity of the hybrids and thus enhance the electron transfer rate, efficiently prevent ZnCo2O4 from aggregation and disintegration, and partially buffer the stress induced by the volume change during cycles. This strategy may shed light on designing new MOF-based hybrid electrodes for energy storage and conversion devices.

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

Lifetime measurement of high spin states in (75) Kr

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

Sheikh, Javid; Trivedi, T.; Maurya, K.

2010-01-01

The lifetimes of high spin states of {sup 75}Kr have been determined via {sup 50}Cr ({sup 28}Si, 2pn) {sup 75}Kr reaction in positive parity band using the Doppler-shift attenuation method. The transition quadrupole moments Q deduced from lifetime measurements have been compared with {sup 75}Br. Experimental results obtained from lifetime measurement are interpreted in the framework of projected shell model.

Transition sum rules in the shell model

NASA Astrophysics Data System (ADS)

Lu, Yi; Johnson, Calvin W.

2018-03-01

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy-weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, which in the case of the EWSR is a double commutator. While most prior applications of the double commutator have been to special cases, we derive general formulas for matrix elements of both operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We apply this simple tool to a number of nuclides and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E 1 ) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground-state electric quadrupole (E 2 ) centroids in the s d shell.

A facile in situ self-assembly strategy for large-scale fabrication of CHS@MOF yolk/shell structure and its catalytic application in a flow system.

PubMed

Gao, Hongyi; Luan, Yi; Chaikittikul, Kullapat; Dong, Wenjun; Li, Jie; Zhang, Xiaowei; Jia, Dandan; Yang, Mu; Wang, Ge

2015-03-04

A hierarchical yolk/shell copper hydroxysulfates@MOF (CHS@MOF, where MOF = metal-organic frameworks) structure was fabricated from a homogeneous yolk/shell CHS template composed of an active shell and a stabilized core via a facile self-template strategy at room temperature. The active shell of the template served as the source of metal ion and was in situ transformed into a well-defined MOF crystal shell, and the relatively stabilized core retained its own nature during the formation of the MOF shell. The strategy of in situ transformation of CHS shell to MOF shell avoided the self-nucleation of MOF in the solution and complex multistep procedures. Furthermore, a flow reaction system using CHS@MOF as self-supported stationary-phase catalyst was developed, which demonstrated excellent catalytic performance for aldehyde acetalization with ethanol, and high yields and selectivities were achieved under mild conditions.

Solar-Light-Driven Renewable Butanol Separation by Core-Shell Ag@ZIF-8 Nanowires.

PubMed

Liu, Xu; He, Liangcan; Zheng, Jianzhong; Guo, Jun; Bi, Feng; Ma, Xiang; Zhao, Kun; Liu, Yaling; Song, Rui; Tang, Zhiyong

2015-06-03

Core-shell Ag@ZIF-8 nanowires, where single Ag nanowires are coated with uniform zeolitic-imidazolate-framework-8 (ZIF-8) shells, successfully realize renewable adsorptive separation of low concentrations of butanol from an aqueous medium under solar light irradiation by taking advantage of the exceptional adsorption capability of the ZIF-8 shells toward butanol and the unique plasmonic photothermal effect of the Ag nanowire cores. Impressively, the high separation efficiency is maintained as almost unchanged, even after 10 adsorption/desorption cycles. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Linear Static Behavior of Damaged Laminated Composite Plates and Shells

PubMed Central

2017-01-01

A mathematical scheme is proposed here to model a damaged mechanical configuration for laminated and sandwich structures. In particular, two kinds of functions defined in the reference domain of plates and shells are introduced to weaken their mechanical properties in terms of engineering constants: a two-dimensional Gaussian function and an ellipse shaped function. By varying the geometric parameters of these distributions, several damaged configurations are analyzed and investigated through a set of parametric studies. The effect of a progressive damage is studied in terms of displacement profiles and through-the-thickness variations of stress, strain, and displacement components. To this end, a posteriori recovery procedure based on the three-dimensional equilibrium equations for shell structures in orthogonal curvilinear coordinates is introduced. The theoretical framework for the two-dimensional shell model is based on a unified formulation able to study and compare several Higher-order Shear Deformation Theories (HSDTs), including Murakami’s function for the so-called zig-zag effect. Thus, various higher-order models are used and compared also to investigate the differences which can arise from the choice of the order of the kinematic expansion. Their ability to deal with several damaged configurations is analyzed as well. The paper can be placed also in the field of numerical analysis, since the solution to the static problem at issue is achieved by means of the Generalized Differential Quadrature (GDQ) method, whose accuracy and stability are proven by a set of convergence analyses and by the comparison with the results obtained through a commercial finite element software. PMID:28773170

Metal-Organic-Framework-Derived Yolk-Shell-Structured Cobalt-Based Bimetallic Oxide Polyhedron with High Activity for Electrocatalytic Oxygen Evolution.

PubMed

Yu, Zhou; Bai, Yu; Liu, Yuxuan; Zhang, Shimin; Chen, Dandan; Zhang, Naiqing; Sun, Kening

2017-09-20

The development of inexpensive, efficient, and environmentally friendly catalysts for oxygen evolution reaction (OER) is of great significant for green energy utilization. Herein, binary metal oxides (M x Co 3-x O 4 , M = Zn, Ni, and Cu) with yolk-shell polyhedron (YSP) structure were fabricated by facile pyrolysis of bimetallic zeolitic imidazolate frameworks (MCo-ZIFs). Benefiting from the synergistic effects of metal ions and the unique yolk-shell structure, M x Co 3-x O 4 YSP displays good OER catalytic activity in alkaline media. Impressively, Zn x Co 3-x O 4 YSP shows a comparable overpotential of 337 mV at 10 mA cm -2 to commercial RuO 2 and exhibits superior long-term durability. The high activity and good stability reveals its promising application.

A lightweight messaging-based distributed processing and workflow execution framework for real-time and big data analysis

NASA Astrophysics Data System (ADS)

Laban, Shaban; El-Desouky, Aly

2014-05-01

To achieve a rapid, simple and reliable parallel processing of different types of tasks and big data processing on any compute cluster, a lightweight messaging-based distributed applications processing and workflow execution framework model is proposed. The framework is based on Apache ActiveMQ and Simple (or Streaming) Text Oriented Message Protocol (STOMP). ActiveMQ , a popular and powerful open source persistence messaging and integration patterns server with scheduler capabilities, acts as a message broker in the framework. STOMP provides an interoperable wire format that allows framework programs to talk and interact between each other and ActiveMQ easily. In order to efficiently use the message broker a unified message and topic naming pattern is utilized to achieve the required operation. Only three Python programs and simple library, used to unify and simplify the implementation of activeMQ and STOMP protocol, are needed to use the framework. A watchdog program is used to monitor, remove, add, start and stop any machine and/or its different tasks when necessary. For every machine a dedicated one and only one zoo keeper program is used to start different functions or tasks, stompShell program, needed for executing the user required workflow. The stompShell instances are used to execute any workflow jobs based on received message. A well-defined, simple and flexible message structure, based on JavaScript Object Notation (JSON), is used to build any complex workflow systems. Also, JSON format is used in configuration, communication between machines and programs. The framework is platform independent. Although, the framework is built using Python the actual workflow programs or jobs can be implemented by any programming language. The generic framework can be used in small national data centres for processing seismological and radionuclide data received from the International Data Centre (IDC) of the Preparatory Commission for the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO). Also, it is possible to extend the use of the framework in monitoring the IDC pipeline. The detailed design, implementation,conclusion and future work of the proposed framework will be presented.

The Local Bubble: a magnetic veil to our Galaxy

NASA Astrophysics Data System (ADS)

Alves, M. I. R.; Boulanger, F.; Ferrière, K.; Montier, L.

2018-04-01

The magnetic field in the local interstellar medium does not follow the large-scale Galactic magnetic field. The local magnetic field has probably been distorted by the Local Bubble, a cavity of hot ionized gas extending all around the Sun and surrounded by a shell of cold neutral gas and dust. However, so far no conclusive association between the local magnetic field and the Local Bubble has been established. Here we develop an analytical model for the magnetic field in the shell of the Local Bubble, which we represent as an inclined spheroid, off-centred from the Sun. We fit the model to Planck dust polarized emission observations within 30° of the Galactic poles. We find a solution that is consistent with a highly deformed magnetic field, with significantly different directions towards the north and south Galactic poles. This work sets a methodological framework for modelling the three-dimensional (3D) structure of the magnetic field in the local interstellar medium, which is a most awaited input for large-scale Galactic magnetic field models.

Response of moderately thick laminated cross-ply composite shells subjected to random excitation

NASA Technical Reports Server (NTRS)

Elishakoff, Isaak; Cederbaum, Gabriel; Librescu, Liviu

1989-01-01

This study deals with the dynamic response of transverse shear deformable laminated shells subjected to random excitation. The analysis encompasses the following problems: (1) the dynamic response of circular cylindrical shells of finite length excited by an axisymmetric uniform ring loading, stationary in time, and (2) the response of spherical and cylindrical panels subjected to stationary random loadings with uniform spatial distribution. The associated equations governing the structural theory of shells are derived upon discarding the classical Love-Kirchhoff (L-K) assumptions. In this sense, the theory is formulated in the framework of the first-order transverse shear deformation theory (FSDT).

LDH nanocages synthesized with MOF templates and their high performance as supercapacitors

NASA Astrophysics Data System (ADS)

Jiang, Zhen; Li, Zhengping; Qin, Zhenhua; Sun, Haiyan; Jiao, Xiuling; Chen, Dairong

2013-11-01

Layered double hydroxides (LDHs) are currently attracting intense research interest for their various applications. Three LDH hollow nano-polyhedra are synthesized with zeolitic imidazolate framework-67 (ZIF-67) nanocrystals as the templates. The nanocages well inherit the rhombic dodecahedral shape of the ZIF-67 templates, and the shell is composed of nanosheets assembled with an edge-to-face stacking. This is the first synthesis of the LDH non-spherical structures. And the mechanism of utilizing metal-organic framework (MOF) nanocrystals as templates is explored. Control of the simultaneous reactions, the precipitation of the shells and the template etching, is extremely crucial to the preparation of the perfect nanocages. And the Ni-Co LDH nanocages exhibit superior pseudocapacitance property due to their novel hierarchical and submicroscopic structures.Layered double hydroxides (LDHs) are currently attracting intense research interest for their various applications. Three LDH hollow nano-polyhedra are synthesized with zeolitic imidazolate framework-67 (ZIF-67) nanocrystals as the templates. The nanocages well inherit the rhombic dodecahedral shape of the ZIF-67 templates, and the shell is composed of nanosheets assembled with an edge-to-face stacking. This is the first synthesis of the LDH non-spherical structures. And the mechanism of utilizing metal-organic framework (MOF) nanocrystals as templates is explored. Control of the simultaneous reactions, the precipitation of the shells and the template etching, is extremely crucial to the preparation of the perfect nanocages. And the Ni-Co LDH nanocages exhibit superior pseudocapacitance property due to their novel hierarchical and submicroscopic structures. Electronic supplementary information (ESI) available: Experimental details, XRD, TEM, SEM, and XPS images. See DOI: 10.1039/c3nr03829g

Influence of the Pauli exclusion principle and the polarization of nuclei on the nuclear part of the interaction potential in the 40Ca +40Ca system

NASA Astrophysics Data System (ADS)

Nesterov, V. O.

2018-06-01

In the framework of the energy density method with the use of the wave function of the two-center shell model, the influence of the simultaneous account for the Pauli exclusion principle and the monopole and quadrupole polarizations of nuclei on the nuclear part of the potential of their interaction by the example of the 40Ca +40Ca system is considered. The calculations performed in the framework of the adiabatic approximation show that the consideration of the Pauli exclusion principle and the polarization of nuclei, especially the quadrupole one, essentially affects the nucleus-nucleus interaction potential.

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

NASA Astrophysics Data System (ADS)

Mahadev, Sthanu

Continued research and development efforts devoted in recent years have generated novel avenues towards the advancement of efficient and effective, slender laminated fiber-reinforced composite members. Numerous studies have focused on the modeling and response characterization of composite structures with particular relevance to thin-walled cylindrical composite shells. This class of shell configurations is being actively explored to fully determine their mechanical efficacy as primary aerospace structural members. The proposed research is targeted towards formulating a composite shell theory based prognosis methodology that entails an elaborate analysis and investigation of thin-walled cylindrical shell type laminated composite configurations that are highly desirable in increasing number of mechanical and aerospace applications. The prime motivation to adopt this theory arises from its superior ability to generate simple yet viable closed-form analytical solution procedure to numerous geometrically intense, inherent curvature possessing composite structures. This analytical evaluative routine offers to acquire a first-hand insight on the primary mechanical characteristics that essentially govern the behavior of slender composite shells under typical static loading conditions. Current work exposes the robustness of this mathematical framework via demonstrating its potential towards the prediction of structural properties such as axial stiffness and bending stiffness respectively. Longitudinal ply-stress computations are investigated upon deriving the global stiffness matrix model for composite cylindrical tubes with circular cross-sections. Additionally, this work employs a finite element based numerical technique to substantiate the analytical results reported for cylindrically shaped circular composite tubes. Furthermore, this concept development is extended to the study of thin-walled, open cross-sectioned, curved laminated shells that are geometrically distinguished with respect to the circumferential arc angle, thickness-to-mean radius ratio and total laminate thickness. The potential of this methodology is challenged to analytically determine the location of the centroid. This precise location dictates the decoupling of extension-bending type deformational response in tension loaded composite structures. Upon the cross-validation of the centroidal point through the implementation of an ANSYS based finite element routine, influence of centroid is analytically examined under the application of a concentrated longitudinal tension and bending type loadings on a series of cylindrical shells characterized by three different symmetric-balanced stacking sequences. In-plane ply-stresses are computed and analyzed across the circumferential contour. An experimental investigation has been incorporated via designing an ad-hoc apparatus and test-up that accommodates the quantification of in-plane strains, computation of ply-stresses and addresses the physical characteristics for a set of auto-clave fabricated cylindrical shell articles. Consequently, this work is shown to essentially capture the mechanical aspects of cylindrical shells, thus facilitating structural engineers to design and manufacture viable structures.

Transition sum rules in the shell model

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

Lu, Yi; Johnson, Calvin W.

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy- weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, in the case of the EWSR a double commutator. While most prior applications of the double-commutator have been to special cases, we derive general formulas for matrix elements of bothmore » operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We then apply this simple tool to a number of nuclides, and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E1) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground state electric quadrupole (E2) centroids in the $sd$-shell.« less

Transition sum rules in the shell model

DOE PAGES

Lu, Yi; Johnson, Calvin W.

2018-03-29

An important characterization of electromagnetic and weak transitions in atomic nuclei are sum rules. We focus on the non-energy-weighted sum rule (NEWSR), or total strength, and the energy- weighted sum rule (EWSR); the ratio of the EWSR to the NEWSR is the centroid or average energy of transition strengths from an nuclear initial state to all allowed final states. These sum rules can be expressed as expectation values of operators, in the case of the EWSR a double commutator. While most prior applications of the double-commutator have been to special cases, we derive general formulas for matrix elements of bothmore » operators in a shell model framework (occupation space), given the input matrix elements for the nuclear Hamiltonian and for the transition operator. With these new formulas, we easily evaluate centroids of transition strength functions, with no need to calculate daughter states. We then apply this simple tool to a number of nuclides, and demonstrate the sum rules follow smooth secular behavior as a function of initial energy, as well as compare the electric dipole (E1) sum rule against the famous Thomas-Reiche-Kuhn version. We also find surprising systematic behaviors for ground state electric quadrupole (E2) centroids in the $sd$-shell.« less

Characterization of a Monoclonal Antibody Directed against Mytilus spp Larvae Reveals an Antigen Involved in Shell Biomineralization

PubMed Central

Calvo-Iglesias, Juan; Pérez-Estévez, Daniel; Lorenzo-Abalde, Silvia; Sánchez-Correa, Beatriz; Quiroga, María Isabel; Fuentes, José M.; González-Fernández, África

2016-01-01

The M22.8 monoclonal antibody (mAb) developed against an antigen expressed at the mussel larval and postlarval stages of Mytilus galloprovincialis was studied on adult samples. Antigenic characterization by Western blot showed that the antigen MSP22.8 has a restricted distribution that includes mantle edge tissue, extrapallial fluid, extrapallial fluid hemocytes, and the shell organic matrix of adult samples. Other tissues such as central mantle, gonadal tissue, digestive gland, labial palps, foot, and byssal retractor muscle did not express the antigen. Immunohistochemistry assays identified MSP22.8 in cells located in the outer fold epithelium of the mantle edge up to the pallial line. Flow cytometry analysis showed that hemocytes from the extrapallial fluid also contain the antigen intracellularly. Furthermore, hemocytes from hemolymph have the ability to internalize the antigen when exposed to a cell-free extrapallial fluid solution. Our findings indicate that hemocytes could play an important role in the biomineralization process and, as a consequence, they have been included in a model of shell formation. This is the first report concerning a protein secreted by the mantle edge into the extrapallial space and how it becomes part of the shell matrix framework in M. galloprovincialis mussels. PMID:27008638

Single-particle and collective motion in unbound deformed 39Mg

NASA Astrophysics Data System (ADS)

Fossez, K.; Rotureau, J.; Michel, N.; Liu, Quan; Nazarewicz, W.

2016-11-01

Background: Deformed neutron-rich magnesium isotopes constitute a fascinating territory where the interplay between collective rotation and single-particle motion is strongly affected by the neutron continuum. The unbound f p -shell nucleus 39Mg is an ideal candidate to study this interplay. Purpose: In this work, we predict the properties of low-lying resonant states of 39Mg, using a suite of realistic theoretical approaches rooted in the open quantum system framework. Method: To describe the spectrum and decay modes of 39Mg we use the conventional shell model, Gamow shell model, resonating group method, density matrix renormalization group method, and the nonadiabatic particle-plus-rotor model formulated in the Berggren basis. Results: The unbound ground state of 39Mg is predicted to be either a Jπ=7/2 - state or a 3/2 - state. A narrow Jπ=7/2 - ground-state candidate exhibits a resonant structure reminiscent of that of its one-neutron halo neighbor 37Mg, which is dominated by the f7 /2 partial wave at short distances and a p3 /2 component at large distances. A Jπ=3/2 - ground-state candidate is favored by the large deformation of the system. It can be associated with the 1/2 -[321 ] Nilsson orbital dominated by the ℓ =1 wave; hence its predicted width is large. The excited Jπ=1/2 - and 5 /2- states are expected to be broad resonances, while the Jπ=9/2 - and 11/2 - members of the ground-state rotational band are predicted to have very small neutron decay widths. Conclusion: We demonstrate that the subtle interplay between deformation, shell structure, and continuum coupling can result in a variety of excitations in an unbound nucleus just outside the neutron drip line.

Fabrication of slender elastic shells by the coating of curved surfaces

NASA Astrophysics Data System (ADS)

Lee, A.; Brun, P.-T.; Marthelot, J.; Balestra, G.; Gallaire, F.; Reis, P. M.

2016-04-01

Various manufacturing techniques exist to produce double-curvature shells, including injection, rotational and blow molding, as well as dip coating. However, these industrial processes are typically geared for mass production and are not directly applicable to laboratory research settings, where adaptable, inexpensive and predictable prototyping tools are desirable. Here, we study the rapid fabrication of hemispherical elastic shells by coating a curved surface with a polymer solution that yields a nearly uniform shell, upon polymerization of the resulting thin film. We experimentally characterize how the curing of the polymer affects its drainage dynamics and eventually selects the shell thickness. The coating process is then rationalized through a theoretical analysis that predicts the final thickness, in quantitative agreement with experiments and numerical simulations of the lubrication flow field. This robust fabrication framework should be invaluable for future studies on the mechanics of thin elastic shells and their intrinsic geometric nonlinearities.

ControlShell: A real-time software framework

NASA Technical Reports Server (NTRS)

Schneider, Stanley A.; Chen, Vincent W.; Pardo-Castellote, Gerardo

1994-01-01

The ControlShell system is a programming environment that enables the development and implementation of complex real-time software. It includes many building tools for complex systems, such as a graphical finite state machine (FSM) tool to provide strategic control. ControlShell has a component-based design, providing interface definitions and mechanisms for building real-time code modules along with providing basic data management. Some of the system-building tools incorporated in ControlShell are a graphical data flow editor, a component data requirement editor, and a state-machine editor. It also includes a distributed data flow package, an execution configuration manager, a matrix package, and an object database and dynamic binding facility. This paper presents an overview of ControlShell's architecture and examines the functions of several of its tools.

Quadratic Solid⁻Shell Finite Elements for Geometrically Nonlinear Analysis of Functionally Graded Material Plates.

PubMed

Chalal, Hocine; Abed-Meraim, Farid

2018-06-20

In the current contribution, prismatic and hexahedral quadratic solid⁻shell (SHB) finite elements are proposed for the geometrically nonlinear analysis of thin structures made of functionally graded material (FGM). The proposed SHB finite elements are developed within a purely 3D framework, with displacements as the only degrees of freedom. Also, the in-plane reduced-integration technique is combined with the assumed-strain method to alleviate various locking phenomena. Furthermore, an arbitrary number of integration points are placed along a special direction, which represents the thickness. The developed elements are coupled with functionally graded behavior for the modeling of thin FGM plates. To this end, the Young modulus of the FGM plate is assumed to vary gradually in the thickness direction, according to a volume fraction distribution. The resulting formulations are implemented into the quasi-static ABAQUS/Standard finite element software in the framework of large displacements and rotations. Popular nonlinear benchmark problems are considered to assess the performance and accuracy of the proposed SHB elements. Comparisons with reference solutions from the literature demonstrate the good capabilities of the developed SHB elements for the 3D simulation of thin FGM plates.

Transition Quadrupole Collectivity of Ar and Cl Isotopes Near N = 28

NASA Astrophysics Data System (ADS)

Winkler, R.; Gade, A.; Brown, B. A.; Glasmacher, T.; Baugher, T. R.; Bazin, D.; Grinyer, G. F.; McDaniel, S.; Meharchand, R.; Ratkiewicz, A.; Stroberg, R.; Walsh, K.; Weisshaar, D.; Riley, L. A.

2010-11-01

Measurements of the reduced quadrupole transition strengths, B(E2; 0^+ -> 2^+) of even-even nuclei guide our understanding of the onset collectivity with the addition of valence nucleons beyond the known shell structure of the atomic nucleus. The study of the quadrupole collectivity of neutron-rich ^47,48Ar and ^45,46Cl via relativistic Coulomb excitation was performed using a cocktail of exotic beams produced by the coupled cyclotron facility at NSCL. Particle tracking and identification was achieved on an event-by-event basis using the S800 high-resolution spectrograph. Gamma rays emitted at the reaction target position in coincidence with the detection of scattered particles were observed with the segmented high-purity Germanium array SeGA, a vital tool for the Doppler reconstruction of each observed event. Results from the present work provide insight into the persistence of the N = 28 shell closure and will be discussed in the framework of the shell model utilizing modern effective interactions in the sdpf valence space. This work is supported by the National Science Foundation under Grants No. PHY-0606007 and PHY-0758099.

Characterization of core–shell MOF particles by depth profiling experiments using on-line single particle mass spectrometry

DOE PAGES

Cahill, J. F.; Fei, H.; Cohen, S. M.; ...

2015-01-05

Materials with core-shell structures have distinct properties that lend themselves to a variety of potential applications. Characterization of small particle core-shell materials presents a unique analytical challenge. Herein, single particles of solid-state materials with core-shell structures were measured using on-line aerosol time-of-flight mass spectrometry (ATOFMS). Laser 'depth profiling' experiments verified the core-shell nature of two known core-shell particle configurations (< 2 mu m diameter) that possessed inverted, complimentary core-shell compositions (ZrO2@SiO2 versus SiO2@ZrO2). The average peak area ratios of Si and Zr ions were calculated to definitively show their core-shell composition. These ratio curves acted as a calibrant for anmore » uncharacterized sample - a metal-organic framework (MOF) material surround by silica (UiO-66(Zr)@SiO2; UiO = University of Oslo). ATOFMS depth profiling was used to show that these particles did indeed exhibit a core-shell architecture. The results presented here show that ATOFMS can provide unique insights into core-shell solid-state materials with particle diameters between 0.2-3 mu m.« less

Ab initio treatment of fully open-shell medium-mass nuclei with the IM-SRG

NASA Astrophysics Data System (ADS)

Stroberg, Ragnar; Calci, Angelo; Holt, Jason; Navratil, Petr; Bogner, Scott; Hergert, Heiko; Roth, Robert; Schwenk, Achim

2016-09-01

The in-medium similarity renormalization group (IM-SRG) is a recently-developed theoretical many-body framework which - like the coupled cluster and the self-consistent Green's function approaches - allows for the treatment of medium-mass nuclei using interactions fit at the few-body level. I will give a brief overview of how the IM-SRG may be used to decouple a shell-model type valence space. I will then describe a recent development for the approximate treatment of residual 3N forces in the valence space which extends the reach of IM-SRG to essentially all medium-mass nuclei, and I will present some selected results spanning isotopic chains from beryllium (Z=4) to nickel (Z=28). Finally, I will discuss the consistent treatment of transition operators, highlighting the potential for future applications in electroweak physics.

An Enzyme-Coated Metal-Organic Framework Shell for Synthetically Adaptive Cell Survival.

PubMed

Liang, Kang; Richardson, Joseph J; Doonan, Christian J; Mulet, Xavier; Ju, Yi; Cui, Jiwei; Caruso, Frank; Falcaro, Paolo

2017-07-10

A bioactive synthetic porous shell was engineered to enable cells to survive in an oligotrophic environment. Eukaryotic cells (yeast) were firstly coated with a β-galactosidase (β-gal), before crystallization of a metal-organic framework (MOF) film on the enzyme coating; thereby producing a bioactive porous synthetic shell. The β-gal was an essential component of the bioactive shell as it generated nutrients (that is, glucose and galactose) required for cell viability in nutrient-deficient media (lactose-based). Additionally, the porous MOF coating carried out other vital functions, such as 1) shielding the cells from cytotoxic compounds and radiation, 2) protecting the non-native enzymes (β-gal in this instance) from degradation and internalization, and 3) allowing for the diffusion of molecules essential for the survival of the cells. Indeed, this bioactive porous shell enabled the survival of cells in simulated extreme oligotrophic environments for more than 7 days, leading to a decrease in cell viability less than 30 %, versus a 99 % decrease for naked yeast. When returned to optimal growth conditions the bioactive porous exoskeleton could be removed and the cells regained full growth immediately. The construction of bioactive coatings represents a conceptually new and promising approach for the next-generation of cell-based research and application, and is an alternative to synthetic biology or genetic modification. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interaction of Supernova Blast Waves with Wind-Driven Shells: Formation of "Jets", "Bullets", "Ears", Etc.

NASA Astrophysics Data System (ADS)

Gvaramadze, V. V.

Most of middle-aged supernova remnants (SNRs) have a distorted and complicated appearance which cannot be explained in the framework of the Sedov-Taylor model. We consider three typical examples of such SNRs (Vela SNR, MSH15-52, G309.2-00.6) and show that their structure could be explained as a result of interaction of a supernova (SN) blast wave with the ambient medium preprocessed by the action of the SN progenitor's wind and ionized emission.

Mechanical performance of short models for MQXF, the Nb3Sn low-β quadrupole for the Hi-Lumi LHC

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

Vallone, Giorgio; Ambrosio, Giorgio; Anderssen, Eric

In the framework of the Hi-Lumi LHC Project, CERN and U.S. LARP are jointly developing MQXF, a 150-mm aperture high-field Nb3Sn quadrupole for the upgrade of the inner triplet of the low-beta interaction regions. The magnet is supported by a shell-based structure, providing the preload by means of bladder-key technology and differential thermal contraction of the various components. Two short models have been produced using the same cross section currently considered for the final magnet. The structures were preliminarily tested replacing the superconducting coils with blocks of aluminum. This procedure allows for model validation and calibration, and also to setmore » performance goals for the real magnet. Strain gauges were used to monitor the behavior of the structure during assembly, cool down and also excitation in the case of the magnets. The various structures differ for the shell partitioning strategies adopted and for the presence of thick or thin laminations. This study presents the results obtained and discusses the mechanical performance of all the short models produced up to now.« less

Mechanical performance of short models for MQXF, the Nb3Sn low-β quadrupole for the Hi-Lumi LHC

DOE PAGES

Vallone, Giorgio; Ambrosio, Giorgio; Anderssen, Eric; ...

2016-12-23

In the framework of the Hi-Lumi LHC Project, CERN and U.S. LARP are jointly developing MQXF, a 150-mm aperture high-field Nb3Sn quadrupole for the upgrade of the inner triplet of the low-beta interaction regions. The magnet is supported by a shell-based structure, providing the preload by means of bladder-key technology and differential thermal contraction of the various components. Two short models have been produced using the same cross section currently considered for the final magnet. The structures were preliminarily tested replacing the superconducting coils with blocks of aluminum. This procedure allows for model validation and calibration, and also to setmore » performance goals for the real magnet. Strain gauges were used to monitor the behavior of the structure during assembly, cool down and also excitation in the case of the magnets. The various structures differ for the shell partitioning strategies adopted and for the presence of thick or thin laminations. This study presents the results obtained and discusses the mechanical performance of all the short models produced up to now.« less

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

DOE PAGES

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

2017-02-06

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

Structure and decays of nuclear three-body systems: The Gamow coupled-channel method in Jacobi coordinates

NASA Astrophysics Data System (ADS)

Wang, S. M.; Michel, N.; Nazarewicz, W.; Xu, F. R.

2017-10-01

Background: Weakly bound and unbound nuclear states appearing around particle thresholds are prototypical open quantum systems. Theories of such states must take into account configuration mixing effects in the presence of strong coupling to the particle continuum space. Purpose: To describe structure and decays of three-body systems, we developed a Gamow coupled-channel (GCC) approach in Jacobi coordinates by employing the complex-momentum formalism. We benchmarked the complex-energy Gamow shell model (GSM) against the new framework. Methods: The GCC formalism is expressed in Jacobi coordinates, so that the center-of-mass motion is automatically eliminated. To solve the coupled-channel equations, we use hyperspherical harmonics to describe the angular wave functions while the radial wave functions are expanded in the Berggren ensemble, which includes bound, scattering, and Gamow states. Results: We show that the GCC method is both accurate and robust. Its results for energies, decay widths, and nucleon-nucleon angular correlations are in good agreement with the GSM results. Conclusions: We have demonstrated that a three-body GSM formalism explicitly constructed in the cluster-orbital shell model coordinates provides results similar to those with a GCC framework expressed in Jacobi coordinates, provided that a large configuration space is employed. Our calculations for A =6 systems and 26O show that nucleon-nucleon angular correlations are sensitive to the valence-neutron interaction. The new GCC technique has many attractive features when applied to bound and unbound states of three-body systems: it is precise, is efficient, and can be extended by introducing a microscopic model of the core.

Modeling complicated rheological behaviors in encapsulating shells of lipid-coated microbubbles accounting for nonlinear changes of both shell viscosity and elasticity

NASA Astrophysics Data System (ADS)

Li, Qian; Matula, Thomas J.; Tu, Juan; Guo, Xiasheng; Zhang, Dong

2013-02-01

It has been accepted that the dynamic responses of ultrasound contrast agent (UCA) microbubbles will be significantly affected by the encapsulating shell properties (e.g., shell elasticity and viscosity). In this work, a new model is proposed to describe the complicated rheological behaviors in an encapsulating shell of UCA microbubbles by applying the nonlinear ‘Cross law’ to the shell viscous term in the Marmottant model. The proposed new model was verified by fitting the dynamic responses of UCAs measured with either a high-speed optical imaging system or a light scattering system. The comparison results between the measured radius-time curves and the numerical simulations demonstrate that the ‘compression-only’ behavior of UCAs can be successfully simulated with the new model. Then, the shell elastic and viscous coefficients of SonoVue microbubbles were evaluated based on the new model simulations, and compared to the results obtained from some existing UCA models. The results confirm the capability of the current model for reducing the dependence of bubble shell parameters on the initial bubble radius, which indicates that the current model might be more comprehensive to describe the complex rheological nature (e.g., ‘shear-thinning’ and ‘strain-softening’) in encapsulating shells of UCA microbubbles by taking into account the nonlinear changes of both shell elasticity and shell viscosity.

Modeling complicated rheological behaviors in encapsulating shells of lipid-coated microbubbles accounting for nonlinear changes of both shell viscosity and elasticity.

PubMed

Li, Qian; Matula, Thomas J; Tu, Juan; Guo, Xiasheng; Zhang, Dong

2013-02-21

It has been accepted that the dynamic responses of ultrasound contrast agent (UCA) microbubbles will be significantly affected by the encapsulating shell properties (e.g., shell elasticity and viscosity). In this work, a new model is proposed to describe the complicated rheological behaviors in an encapsulating shell of UCA microbubbles by applying the nonlinear 'Cross law' to the shell viscous term in the Marmottant model. The proposed new model was verified by fitting the dynamic responses of UCAs measured with either a high-speed optical imaging system or a light scattering system. The comparison results between the measured radius-time curves and the numerical simulations demonstrate that the 'compression-only' behavior of UCAs can be successfully simulated with the new model. Then, the shell elastic and viscous coefficients of SonoVue microbubbles were evaluated based on the new model simulations, and compared to the results obtained from some existing UCA models. The results confirm the capability of the current model for reducing the dependence of bubble shell parameters on the initial bubble radius, which indicates that the current model might be more comprehensive to describe the complex rheological nature (e.g., 'shear-thinning' and 'strain-softening') in encapsulating shells of UCA microbubbles by taking into account the nonlinear changes of both shell elasticity and shell viscosity.

Monodisperse Metal-Organic Framework Nanospheres with Encapsulated Core-Shell Nanoparticles Pt/Au@Pd@{Co2(oba)4(3-bpdh)2}4H2O for the Highly Selective Conversion of CO2 to CO.

PubMed

Zhao, Xi; Xu, Haitao; Wang, XiaoXiao; Zheng, Zhizhong; Xu, Zhenliang; Ge, Jianping

2018-05-02

A new microporous metal-organic framework (MOF) with formula {Co 2 (oba) 4 (3-bpdh) 2 }4H 2 O [oba = 4,4'-oxybis(benzoic acid); 3-bpdh = N, N'-bis-(1-pyridine-3-yl-ethylidene)-hydrazine] was assembled, and its morphology was found to undergo a microrod-to-nanosphere transformation with temperature variation. Core-shell Au@Pd functional nanoparticles (NPs) were successfully encapsulated in the center of the monodisperse nanospheres, and Pt NPs were well-dispersed and fully immobilized on the surface of Au@Pd@1Co to build the Pt/Au@Pd@1Co composites, which exhibited NPs catalytic activity for the reverse water gas shift reaction. The core-shell Au@Pd NPs in MOF significantly enchanced the CO selectivity of the catalyst, and the Pt NP loading on the surface of the nanosphere afforded a desirable CO 2 conversion.

Fluid-structure interaction simulations of deformable structures with non-linear thin shell elements

NASA Astrophysics Data System (ADS)

Asgharzadeh, Hafez; Hedayat, Mohammadali; Borazjani, Iman; Scientific Computing; Biofluids Laboratory Team

2017-11-01

Large deformation of structures in a fluid is simulated using a strongly coupled partitioned fluid-structure interaction (FSI) approach which is stabilized with under-relaxation and the Aitken acceleration technique. The fluid is simulated using a recently developed implicit Newton-Krylov method with a novel analytical Jacobian. Structures are simulated using a triangular thin-shell finite element formulation, which considers only translational degrees of freedom. The thin-shell method is developed on the top of a previously implemented membrane finite element formulation. A sharp interface immersed boundary method is used to handle structures in the fluid domain. The developed FSI framework is validated against two three-dimensional experiments: (1) a flexible aquatic vegetation in the fluid and (2) a heaving flexible panel in fluid. Furthermore, the developed FSI framework is used to simulate tissue heart valves, which involve large deformations and non-linear material properties. This work was supported by American Heart Association (AHA) Grant 13SDG17220022 and the Center of Computational Research (CCR) of University at Buffalo.

Magnetic hybrid magnetite/metal organic framework nanoparticles: facile preparation, post-synthetic biofunctionalization and tracking in vivo with magnetic methods

NASA Astrophysics Data System (ADS)

Tregubov, A. A.; Sokolov, I. L.; Babenyshev, A. V.; Nikitin, P. I.; Cherkasov, V. R.; Nikitin, M. P.

2018-03-01

Multifunctional hybrid nanocomposites remain to be of great interest in biomedicine as a universal tool in a number of applications. As a promising example, the nanoparticles with magnetic core and porous shell have a potential as theranostic agents combining both the diagnostics probe and drug delivery vehicle properties. However, reported methods of the nanostructure preparation are complex and include tedious time-consuming growth of porous shell by means of layer by layer assembly technique. In this study, we develop new way of fabrication of the superparamagnetic magnetite core @ porous metal organic framework shell nanoparticles and demonstrate their application both as a multimodal (MRI contrasting, magnetometric and optical labeling) and multifunctional (in vivo bioimaging, biotargeting by coupled receptors, lateral flow assay) agents. The easiness of fabrication, controllable bioconjugation properties and low level of non-specific binding indicate high potential of the nanoparticles to be employed as multifunctional agents in theranostics, advanced biosensing and bioimaging.

Modelling and simulation of the consolidation behavior during thermoplastic prepreg composites forming process

NASA Astrophysics Data System (ADS)

Xiong, H.; Hamila, N.; Boisse, P.

2017-10-01

Pre-impregnated thermoplastic composites have recently attached increasing interest in the automotive industry for their excellent mechanical properties and their rapid cycle manufacturing process, modelling and numerical simulations of forming processes for composites parts with complex geometry is necessary to predict and optimize manufacturing practices, especially for the consolidation effects. A viscoelastic relaxation model is proposed to characterize the consolidation behavior of thermoplastic prepregs based on compaction tests with a range of temperatures. The intimate contact model is employed to predict the evolution of the consolidation which permits the microstructure prediction of void presented through the prepreg. Within a hyperelastic framework, several simulation tests are launched by combining a new developed solid shell finite element and the consolidation models.

3D hydrodynamic simulations of carbon burning in massive stars

NASA Astrophysics Data System (ADS)

Cristini, A.; Meakin, C.; Hirschi, R.; Arnett, D.; Georgy, C.; Viallet, M.; Walkington, I.

2017-10-01

We present the first detailed 3D hydrodynamic implicit large eddy simulations of turbulent convection of carbon burning in massive stars. Simulations begin with radial profiles mapped from a carbon-burning shell within a 15 M⊙ 1D stellar evolution model. We consider models with 1283, 2563, 5123, and 10243 zones. The turbulent flow properties of these carbon-burning simulations are very similar to the oxygen-burning case. We performed a mean field analysis of the kinetic energy budgets within the Reynolds-averaged Navier-Stokes framework. For the upper convective boundary region, we find that the numerical dissipation is insensitive to resolution for linear mesh resolutions above 512 grid points. For the stiffer, more stratified lower boundary, our highest resolution model still shows signs of decreasing sub-grid dissipation suggesting it is not yet numerically converged. We find that the widths of the upper and lower boundaries are roughly 30 per cent and 10 per cent of the local pressure scaleheights, respectively. The shape of the boundaries is significantly different from those used in stellar evolution models. As in past oxygen-shell-burning simulations, we observe entrainment at both boundaries in our carbon-shell-burning simulations. In the large Péclet number regime found in the advanced phases, the entrainment rate is roughly inversely proportional to the bulk Richardson number, RiB (∝RiB-α, 0.5 ≲ α ≲ 1.0). We thus suggest the use of RiB as a means to take into account the results of 3D hydrodynamics simulations in new 1D prescriptions of convective boundary mixing.

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.

Tidal deformation of Enceladus' ice shell with variable thickness and Maxwell rheology

NASA Astrophysics Data System (ADS)

Soucek, Ondrej; Behounkova, Marie; Cadek, Ondrej; Tobie, Gabriel; Choblet, Gael

2017-04-01

Tidal deformation of icy moons has been traditionally studied using the spectral approach which is very efficient for perfectly spherical bodies with radially dependent rheological structure. Measurements of Enceladus' topography (Nimmo et al., 2011) and low-degree gravity (Iess et al., 2014) indicate that the ice shell is significantly thinned in the southern hemisphere (Iess et al., 2014; McKinnon, 2015) and according to recent gravity, shape and libration inversion, it may be only a few kilometers thick at the south pole (Cadek et al., 2016). These variations may potentially have a significant effect on the amplitude and pattern of tidal deformation, stress and associated heating inside the shell, but cannot be straightforwardly incorporated into the existing spectral codes. In order to circumvent this difficulty and to quantify the effects of ice-shell thickness variations, we have developed a three-dimensional finite element code in the framework of FEniCS package (Alnaes et al., 2015). Using this numerical tool, we address the changes in tidally-induced deformation amplitude, stresses and tidal heating for structural models of Enceladus' ice shell of various complexity. Considering Maxwell viscoelastic rheology of the shell, we compare models with uniform thickness consistent with the libration data and with constant viscosity, synthetic models with analytically parameterized thinning in the south polar region and depth-dependent viscosity varying over several orders of magnitude, and finally, models with the shell topography and thickness based on the recent model of Cadek et al. (2016). We find that the thinning of the ice shell around the south pole may lead to amplification of the stress and displacement in this region region by a factor of up to 2 and 4, respectively, depending on the average ice shell thickness, the amplitude of thinning and the viscosity structure. Our results also suggest that lateral variations of ice thickness can induce significant anomalies of the surface heat flux and, together with other effects (e.g. Souček et al., 2016), may thus contribute to the hemispheric dichotomy observed on Enceladus. Alnaes, M. S., Blechta, J., Hake, J., Johansson, J., Kehlet, B., Logg, A., Richardson, C., Ring, J., Rognes, M. E.,Wells, G. N., 2015. The FEniCS Project Version 1.5. Archive of Numerical Software 3 (100), 9-23. Cadek, O., Tobie, G., van Hoolst, T., Masse, M., Choblet, G., Lefevre, A., Mitri, G., Baland, R.-M., Behounkova, M., Bourgeois, O., Trinh, A., 2016. Enceladus's internal ocean and ice shell constrained from Cassini gravity, shape, and libration data. Geophys. Res. Let. 46, 5653-5660. Iess, L., Stevenson, D. J., Parisi, M., Hemingway, D., Jacobson, R. A., Lunine, J. I., Nimmo, F., Armstrong, J. W., Asmar, S. W., Ducci, M., Tortora, P., Apr. 2014. The Gravity Field and Interior Structure of Enceladus. Science 344, 78-80. McKinnon, W. B., Apr. 2015. Effect of Enceladus's rapid synchronous spin on interpretation of Cassini gravity. Geophys. Res. Let. 42, 2137-2143. Nimmo, F., Bills, B. G., Thomas, P. C., 2011. Geophysical implications of the long-wavelength topography of the Saturnian satellites. J. Geophys. Res. 116 (E15), E11001. Soucek, O., Hron, J., Behounkova, M., Cadek, O., 2016. Effect of the tiger stripes on the deformation of Saturn's moon Enceladus. Geophys. Res. Let. 43, 7417-7423.

Insights into chromatographic separation using core-shell metal-organic frameworks: Size exclusion and polarity effects.

PubMed

Qin, Weiwei; Silvestre, Martin E; Kirschhöfer, Frank; Brenner-Weiss, Gerald; Franzreb, Matthias

2015-09-11

Porous metal-organic frameworks (MOFs) [Cu3(BTC)2(H2O)3]n (also known as HKUST-1; BTC, benzene-1,3,5-tricarboxylic acid) were synthesized as homogeneous shell onto carboxyl functionalized magnetic microparticles through a liquid phase epitaxy (LPE) process. The as-synthesized core-shell HKUST-1 magnetic microparticles composites were characterized by XRD and SEM, and used as stationary phase in high performance liquid chromatography (HPLC). The effects of the unique properties of MOFs onto the chromatographic performance are demonstrated by the experiments. First, remarkable separation of pyridine and bipyridine is achieved, although both molecules show a strong interaction between the Cu-ions in HKUST-1 and the nitrogen atoms in their heterocyles. The difference can be explained due to size exclusion of bipyridine from the well defined pore structure of crystalline HKUST-1. Second, the enormous variety of possible interactions of sample molecules with the metal ions and linkers within MOFs allows for specifically tailored solid phases for challenging separation tasks. For example, baseline separation of three chloroaniline (CLA) isomers tested can be achieved without the need for gradient elution modes. Along with the experimental HPLC runs, in-depth modelling with a recently developed chromatography modelling software (ChromX) was applied and proofs the software to be a powerful tool for exploring the separation potential of thin MOF films. The pore diffusivity of pyridine and CLA isomers within HKUST-1 are found to be around 2.3×10(-15)m(2)s(-1). While the affinity of HKUST-1 to the tested molecules strongly differs, the maximum capacities are in the same range, with 0.37molL(-1) for pyridine and 0.23molL(-1) for CLA isomers, corresponding to 4.0 and 2.5 molecules per MOF unit cell, respectively. Copyright © 2015 Elsevier B.V. All rights reserved.

Theoretical and experimental determination of K - and L -shell x-ray relaxation parameters in Ni

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Parente, F.; Indelicato, P.; Hönicke, P.; Müller, M.; Beckhoff, B.; Marques, J. P.; Santos, J. P.

2018-04-01

Fluorescence yields (FY) for the Ni K and L shells were determined by a theoretical and an experimental group within the framework of the International Initiative on X-ray Fundamental Parameters (FPs) collaboration. Coster-Kronig (CK) parameters were also measured for the L shell of Ni. Theoretical calculations of the same parameters were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental values for the FY and CK were determined at the PTB laboratory in the synchrotron radiation facility BESSY II, Berlin, Germany, and are compared to the corresponding calculated values.

A web-server of cell type discrimination system.

PubMed

Wang, Anyou; Zhong, Yan; Wang, Yanhua; He, Qianchuan

2014-01-01

Discriminating cell types is a daily request for stem cell biologists. However, there is not a user-friendly system available to date for public users to discriminate the common cell types, embryonic stem cells (ESCs), induced pluripotent stem cells (iPSCs), and somatic cells (SCs). Here, we develop WCTDS, a web-server of cell type discrimination system, to discriminate the three cell types and their subtypes like fetal versus adult SCs. WCTDS is developed as a top layer application of our recent publication regarding cell type discriminations, which employs DNA-methylation as biomarkers and machine learning models to discriminate cell types. Implemented by Django, Python, R, and Linux shell programming, run under Linux-Apache web server, and communicated through MySQL, WCTDS provides a friendly framework to efficiently receive the user input and to run mathematical models for analyzing data and then to present results to users. This framework is flexible and easy to be expended for other applications. Therefore, WCTDS works as a user-friendly framework to discriminate cell types and subtypes and it can also be expended to detect other cell types like cancer cells.

A Web-Server of Cell Type Discrimination System

PubMed Central

Zhong, Yan

2014-01-01

Discriminating cell types is a daily request for stem cell biologists. However, there is not a user-friendly system available to date for public users to discriminate the common cell types, embryonic stem cells (ESCs), induced pluripotent stem cells (iPSCs), and somatic cells (SCs). Here, we develop WCTDS, a web-server of cell type discrimination system, to discriminate the three cell types and their subtypes like fetal versus adult SCs. WCTDS is developed as a top layer application of our recent publication regarding cell type discriminations, which employs DNA-methylation as biomarkers and machine learning models to discriminate cell types. Implemented by Django, Python, R, and Linux shell programming, run under Linux-Apache web server, and communicated through MySQL, WCTDS provides a friendly framework to efficiently receive the user input and to run mathematical models for analyzing data and then to present results to users. This framework is flexible and easy to be expended for other applications. Therefore, WCTDS works as a user-friendly framework to discriminate cell types and subtypes and it can also be expended to detect other cell types like cancer cells. PMID:24578634

Rapid prototyping--when virtual meets reality.

PubMed

Beguma, Zubeda; Chhedat, Pratik

2014-01-01

Rapid prototyping (RP) describes the customized production of solid models using 3D computer data. Over the past decade, advances in RP have continued to evolve, resulting in the development of new techniques that have been applied to the fabrication of various prostheses. RP fabrication technologies include stereolithography (SLA), fused deposition modeling (FDM), computer numerical controlled (CNC) milling, and, more recently, selective laser sintering (SLS). The applications of RP techniques for dentistry include wax pattern fabrication for dental prostheses, dental (facial) prostheses mold (shell) fabrication, and removable dental prostheses framework fabrication. In the past, a physical plastic shape of the removable partial denture (RPD) framework was produced using an RP machine, and then used as a sacrificial pattern. Yet with the advent of the selective laser melting (SLM) technique, RPD metal frameworks can be directly fabricated, thereby omitting the casting stage. This new approach can also generate the wax pattern for facial prostheses directly, thereby reducing labor-intensive laboratory procedures. Many people stand to benefit from these new RP techniques for producing various forms of dental prostheses, which in the near future could transform traditional prosthodontic practices.

Temperature dependence of the optical absorption spectra of InP/ZnS quantum dots

NASA Astrophysics Data System (ADS)

Savchenko, S. S.; Vokhmintsev, A. S.; Weinstein, I. A.

2017-03-01

The optical-absorption spectra of InP/ZnS (core/shell) quantum dots have been studied in a broad temperature range of T = 6.5-296 K. Using the second-order derivative spectrophotometry technique, the energies of optical transitions at room temperature were found to be E 1 = 2.60 ± 0.02 eV (for the first peak of excitonic absorption in the InP core) and E 2 = 4.70 ± 0.02 eV (for processes in the ZnS shell). The experimental curve of E 1( T) has been approximated for the first time in the framework of a linear model and in terms of the Fan's formula. It is established that the temperature dependence of E 1 is determined by the interaction of excitons and longitudinal acoustic phonons with hω = 15 meV.

Controllable Construction of Core-Shell Polymer@Zeolitic Imidazolate Frameworks Fiber Derived Heteroatom-Doped Carbon Nanofiber Network for Efficient Oxygen Electrocatalysis.

PubMed

Zhao, Yingxuan; Lai, Qingxue; Zhu, Junjie; Zhong, Jia; Tang, Zeming; Luo, Yan; Liang, Yanyu

2018-05-01

Designing rational nanostructures of metal-organic frameworks based carbon materials to promote the bifunctional catalytic activity of the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) is highly desired but still remains a great challenge. Herein, an in situ growth method to achieve 1D structure-controllable zeolitic imidazolate frameworks (ZIFs)/polyacrylonitrile (PAN) core/shell fiber (PAN@ZIFs) is developed. Subsequent pyrolysis of this precursor can obtain a heteroatom-doped carbon nanofiber network as an efficient bifunctional oxygen electrocatalyst. The electrocatalytic performance of derived carbon nanofiber is dominated by the structures of PAN@ZIFs fiber, which is facilely regulated by efficiently controlling the nucleation and growth process of ZIFs on the surface of polymer fiber as well as optimizing the components of ZIFs. Benefiting from the core-shell structures with appropriate dopants and porosity, as-prepared catalysts show brilliant bifunctional ORR/OER catalytic activity and durability. Finally, the rechargeable Zn-air battery assembled from the optimized catalyst (CNF@Zn/CoNC) displays a peak power density of 140.1 mW cm -2 , energy density of 878.9 Wh kg Zn -1 , and excellent cyclic stability over 150 h, giving a promising performance in realistic application. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electron scattering from high-momentum neutrons in deuterium

NASA Astrophysics Data System (ADS)

Klimenko, A. V.; Kuhn, S. E.; Butuceanu, C.; Egiyan, K. S.; Griffioen, K. A.; Adams, G.; Ambrozewicz, P.; Anghinolfi, M.; Asryan, G.; Avakian, H.; Bagdasaryan, H.; Baillie, N.; Ball, J. P.; Baltzell, N. A.; Barrow, S.; Batourine, V.; Battaglieri, M.; Bedlinskiy, I.; Bektasoglu, M.; Bellis, M.; Benmouna, N.; Biselli, A. S.; Bouchigny, S.; Boiarinov, S.; Bradford, R.; Branford, D.; Brooks, W. K.; Bültmann, S.; Burkert, V. D.; Calarco, J. R.; Careccia, S. L.; Carman, D. S.; Cazes, A.; Chen, S.; Cole, P. L.; Coltharp, P.; Cords, D.; Corvisiero, P.; Crabb, D.; Cummings, J. P.; Dashyan, N. B.; Devita, R.; Sanctis, E. De; Degtyarenko, P. V.; Denizli, H.; Dennis, L.; Dharmawardane, K. V.; Djalali, C.; Dodge, G. E.; Donnelly, J.; Doughty, D.; Dugger, M.; Dytman, S.; Dzyubak, O. P.; Egiyan, H.; Elouadrhiri, L.; Eugenio, P.; Fatemi, R.; Fedotov, G.; Fersch, R. G.; Feuerbach, R. J.; Funsten, H.; Garçon, M.; Gavalian, G.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Goetz, J. T.; Gonenc, A.; Gordon, C. I. O.; Gothe, R. W.; Guidal, M.; Guillo, M.; Guler, N.; Guo, L.; Gyurjyan, V.; Hadjidakis, C.; Hakobyan, R. S.; Hardie, J.; Hersman, F. W.; Hicks, K.; Hleiqawi, I.; Holtrop, M.; Hyde-Wright, C. E.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Ito, M. M.; Jenkins, D.; Jo, H. S.; Joo, K.; Juengst, H. G.; Kellie, J. D.; Khandaker, M.; Kim, W.; Klein, A.; Klein, F. J.; Kossov, M.; Kramer, L. H.; Kubarovsky, V.; Kuhn, J.; Kuleshov, S. V.; Lachniet, J.; Laget, J. M.; Langheinrich, J.; Lawrence, D.; Li, Ji; Livingston, K.; McAleer, S.; McKinnon, B.; McNabb, J. W. C.; Mecking, B. A.; Mehrabyan, S.; Melone, J. J.; Mestayer, M. D.; Meyer, C. A.; Mibe, T.; Mikhailov, K.; Minehart, R.; Mirazita, M.; Miskimen, R.; Mokeev, V.; Morand, L.; Morrow, S. A.; Mueller, J.; Mutchler, G. S.; Nadel-Turonski, P.; Napolitano, J.; Nasseripour, R.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Niczyporuk, B. B.; Niyazov, R. A.; Nozar, M.; O'Rielly, G. V.; Osipenko, M.; Ostrovidov, A. I.; Park, K.; Pasyuk, E.; Paterson, C.; Pierce, J.; Pivnyuk, N.; Pocanic, D.; Pogorelko, O.; Pozdniakov, S.; Preedom, B. M.; Price, J. W.; Prok, Y.; Protopopescu, D.; Raue, B. A.; Riccardi, G.; Ricco, G.; Ripani, M.; Ritchie, B. G.; Ronchetti, F.; Rosner, G.; Rossi, P.; Sabatié, F.; Salgado, C.; Santoro, J. P.; Sapunenko, V.; Schumacher, R. A.; Serov, V. S.; Sharabian, Y. G.; Skabelin, A. V.; Smith, E. S.; Smith, L. C.; Sober, D. I.; Stavinsky, A.; Stepanyan, S. S.; Stepanyan, S.; Stokes, B. E.; Stoler, P.; Strauch, S.; Taiuti, M.; Tedeschi, D. J.; Thoma, U.; Tkabladze, A.; Tkachenko, S.; Todor, L.; Tur, C.; Ungaro, M.; Vineyard, M. F.; Vlassov, A. V.; Weinstein, L. B.; Weygand, D. P.; Williams, M.; Wolin, E.; Wood, M. H.; Yegneswaran, A.; Zana, L.; Zhang, J.; Zhao, B.

2006-03-01

We report results from an experiment measuring the semiinclusive reaction H2(e,e'ps) in which the proton ps is moving at a large angle relative to the momentum transfer. If we assume that the proton was a spectator to the reaction taking place on the neutron in deuterium, the initial state of that neutron can be inferred. This method, known as spectator tagging, can be used to study electron scattering from high-momentum (off-shell) neutrons in deuterium. The data were taken with a 5.765 GeV electron beam on a deuterium target in Jefferson Laboratory's Hall B, using the CEBAF large acceptance spectrometer. A reduced cross section was extracted for different values of final state missing mass W*, backward proton momentum p→s, and momentum transfer Q2. The data are compared to a simple plane wave impulse approximation (PWIA) spectator model. A strong enhancement in the data observed at transverse kinematics is not reproduced by the PWIA model. This enhancement can likely be associated with the contribution of final state interactions (FSI) that were not incorporated into the model. Within the framework of the simple spectator model, a “bound neutron structure function” F2neff was extracted as a function of W* and the scaling variable x* at extreme backward kinematics, where the effects of FSI appear to be smaller. For ps>0.4GeV/c, where the neutron is far off-shell, the model overestimates the value of F2neff in the region of x* between 0.25 and 0.6. A dependence of the bound neutron structure function on the neutron's “off-shell-ness” is one possible effect that can cause the observed deviation.

Modeling and optimization by particle swarm embedded neural network for adsorption of zinc (II) by palm kernel shell based activated carbon from aqueous environment.

PubMed

Karri, Rama Rao; Sahu, J N

2018-01-15

Zn (II) is one the common pollutant among heavy metals found in industrial effluents. Removal of pollutant from industrial effluents can be accomplished by various techniques, out of which adsorption was found to be an efficient method. Applications of adsorption limits itself due to high cost of adsorbent. In this regard, a low cost adsorbent produced from palm oil kernel shell based agricultural waste is examined for its efficiency to remove Zn (II) from waste water and aqueous solution. The influence of independent process variables like initial concentration, pH, residence time, activated carbon (AC) dosage and process temperature on the removal of Zn (II) by palm kernel shell based AC from batch adsorption process are studied systematically. Based on the design of experimental matrix, 50 experimental runs are performed with each process variable in the experimental range. The optimal values of process variables to achieve maximum removal efficiency is studied using response surface methodology (RSM) and artificial neural network (ANN) approaches. A quadratic model, which consists of first order and second order degree regressive model is developed using the analysis of variance and RSM - CCD framework. The particle swarm optimization which is a meta-heuristic optimization is embedded on the ANN architecture to optimize the search space of neural network. The optimized trained neural network well depicts the testing data and validation data with R 2 equal to 0.9106 and 0.9279 respectively. The outcomes indicates that the superiority of ANN-PSO based model predictions over the quadratic model predictions provided by RSM. Copyright © 2017 Elsevier Ltd. All rights reserved.

Freva - Freie Univ Evaluation System Framework for Scientific Infrastructures in Earth System Modeling

NASA Astrophysics Data System (ADS)

Kadow, Christopher; Illing, Sebastian; Kunst, Oliver; Schartner, Thomas; Kirchner, Ingo; Rust, Henning W.; Cubasch, Ulrich; Ulbrich, Uwe

2016-04-01

The Freie Univ Evaluation System Framework (Freva - freva.met.fu-berlin.de) is a software infrastructure for standardized data and tool solutions in Earth system science. Freva runs on high performance computers to handle customizable evaluation systems of research projects, institutes or universities. It combines different software technologies into one common hybrid infrastructure, including all features present in the shell and web environment. The database interface satisfies the international standards provided by the Earth System Grid Federation (ESGF). Freva indexes different data projects into one common search environment by storing the meta data information of the self-describing model, reanalysis and observational data sets in a database. This implemented meta data system with its advanced but easy-to-handle search tool supports users, developers and their plugins to retrieve the required information. A generic application programming interface (API) allows scientific developers to connect their analysis tools with the evaluation system independently of the programming language used. Users of the evaluation techniques benefit from the common interface of the evaluation system without any need to understand the different scripting languages. Facilitation of the provision and usage of tools and climate data automatically increases the number of scientists working with the data sets and identifying discrepancies. The integrated web-shell (shellinabox) adds a degree of freedom in the choice of the working environment and can be used as a gate to the research projects HPC. Plugins are able to integrate their e.g. post-processed results into the database of the user. This allows e.g. post-processing plugins to feed statistical analysis plugins, which fosters an active exchange between plugin developers of a research project. Additionally, the history and configuration sub-system stores every analysis performed with the evaluation system in a database. Configurations and results of the tools can be shared among scientists via shell or web system. Therefore, plugged-in tools benefit from transparency and reproducibility. Furthermore, if configurations match while starting an evaluation plugin, the system suggests to use results already produced by other users - saving CPU/h, I/O, disk space and time. The efficient interaction between different technologies improves the Earth system modeling science framed by Freva.

Freva - Freie Univ Evaluation System Framework for Scientific HPC Infrastructures in Earth System Modeling

NASA Astrophysics Data System (ADS)

Kadow, C.; Illing, S.; Schartner, T.; Grieger, J.; Kirchner, I.; Rust, H.; Cubasch, U.; Ulbrich, U.

2017-12-01

The Freie Univ Evaluation System Framework (Freva - freva.met.fu-berlin.de) is a software infrastructure for standardized data and tool solutions in Earth system science (e.g. www-miklip.dkrz.de, cmip-eval.dkrz.de). Freva runs on high performance computers to handle customizable evaluation systems of research projects, institutes or universities. It combines different software technologies into one common hybrid infrastructure, including all features present in the shell and web environment. The database interface satisfies the international standards provided by the Earth System Grid Federation (ESGF). Freva indexes different data projects into one common search environment by storing the meta data information of the self-describing model, reanalysis and observational data sets in a database. This implemented meta data system with its advanced but easy-to-handle search tool supports users, developers and their plugins to retrieve the required information. A generic application programming interface (API) allows scientific developers to connect their analysis tools with the evaluation system independently of the programming language used. Users of the evaluation techniques benefit from the common interface of the evaluation system without any need to understand the different scripting languages. The integrated web-shell (shellinabox) adds a degree of freedom in the choice of the working environment and can be used as a gate to the research projects HPC. Plugins are able to integrate their e.g. post-processed results into the database of the user. This allows e.g. post-processing plugins to feed statistical analysis plugins, which fosters an active exchange between plugin developers of a research project. Additionally, the history and configuration sub-system stores every analysis performed with the evaluation system in a database. Configurations and results of the tools can be shared among scientists via shell or web system. Furthermore, if configurations match while starting an evaluation plugin, the system suggests to use results already produced by other users - saving CPU/h, I/O, disk space and time. The efficient interaction between different technologies improves the Earth system modeling science framed by Freva.

ZnS-Sb2S3@C Core-Double Shell Polyhedron Structure Derived from Metal-Organic Framework as Anodes for High Performance Sodium Ion Batteries.

PubMed

Dong, Shihua; Li, Caixia; Ge, Xiaoli; Li, Zhaoqiang; Miao, Xianguang; Yin, Longwei

2017-06-27

Taking advantage of zeolitic imidazolate framework (ZIF-8), ZnS-Sb 2 S 3 @C core-double shell polyhedron structure is synthesized through a sulfurization reaction between Zn 2+ dissociated from ZIF-8 and S 2- from thioacetamide (TAA), and subsequently a metal cation exchange process between Zn 2+ and Sb 3+ , in which carbon layer is introduced from polymeric resorcinol-formaldehyde to prevent the collapse of the polyhedron. The polyhedron composite with a ZnS inner-core and Sb 2 S 3 /C double-shell as anode for sodium ion batteries (SIBs) shows us a significantly improved electrochemical performance with stable cycle stability, high Coulombic efficiency and specific capacity. Peculiarly, introducing a carbon shell not only acts as an important protective layer to form a rigid construction and accommodate the volume changes, but also improves the electronic conductivity to optimize the stable cycle performance and the excellent rate property. The architecture composed of ZnS inner core and a complex Sb 2 S 3 /C shell not only facilitates the facile electrolyte infiltration to reduce the Na-ion diffusion length to improve the electrochemical reaction kinetics, but also prevents the structure pulverization caused by Na-ion insertion/extraction. This approach to prepare metal sulfides based on MOFs can be further extended to design other nanostructured systems for high performance energy storage devices.

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

NASA Astrophysics Data System (ADS)

Bauchau, Olivier A.; Chiang, Wuying

1991-05-01

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

Specialized morphology corresponds to a generalist diet: linking form and function in smashing mantis shrimp crustaceans.

PubMed

deVries, Maya S; Stock, Brian C; Christy, John H; Goldsmith, Gregory R; Dawson, Todd E

2016-10-01

Many animals are considered to be specialists because they have feeding structures that are fine-tuned for consuming specific prey. For example, "smasher" mantis shrimp have highly specialized predatory appendages that generate forceful strikes to break apart hard-shelled prey. Anecdotal observations suggest, however, that the diet of smashers may include soft-bodied prey as well. Our goal was to examine the diet breadth of the smasher mantis shrimp, Neogonodactylus bredini, to determine whether it has a narrow diet of hard-shelled prey. We combined studies of prey abundance, feeding behavior, and stable isotope analyses of diet in both seagrass and coral rubble to determine if N. bredini's diet was consistent across different habitat types. The abundances of hard-shelled and soft-bodied prey varied between habitats. In feeding experiments, N. bredini consumed both prey types. N. bredini consumed a range of different prey in the field as well and, unexpectedly, the stable isotope analysis demonstrated that soft-bodied prey comprised a large proportion (29-53 %) of the diet in both habitats. Using a Bayesian mixing model framework (MixSIAR), we found that this result held even when we used uninformative, or generalist, priors and informative priors reflecting a specialist diet on hard-shelled prey and prey abundances in the field. Thus, contrary to expectation, the specialized feeding morphology of N. bredini corresponds to a broad diet of both hard-shelled and soft-bodied prey. Using multiple lines of study to describe the natural diets of other presumed specialists may demonstrate that specialized morphology often broadens rather than narrows diet breadth.

Rib fractures under anterior-posterior dynamic loads: experimental and finite-element study.

PubMed

Li, Zuoping; Kindig, Matthew W; Kerrigan, Jason R; Untaroiu, Costin D; Subit, Damien; Crandall, Jeff R; Kent, Richard W

2010-01-19

The purpose of this study was to investigate whether using a finite-element (FE) mesh composed entirely of hexahedral elements to model cortical and trabecular bone (all-hex model) would provide more accurate simulations than those with variable thickness shell elements for cortical bone and hexahedral elements for trabecular bone (hex-shell model) in the modeling human ribs. First, quasi-static non-injurious and dynamic injurious experiments were performed using the second, fourth, and tenth human thoracic ribs to record the structural behavior and fracture tolerance of individual ribs under anterior-posterior bending loads. Then, all-hex and hex-shell FE models for the three ribs were developed using an octree-based and multi-block hex meshing approach, respectively. Material properties of cortical bone were optimized using dynamic experimental data and the hex-shell model of the fourth rib and trabecular bone properties were taken from the literature. Overall, the reaction force-displacement relationship predicted by both all-hex and hex-shell models with nodes in the offset middle-cortical surfaces compared well with those measured experimentally for all the three ribs. With the exception of fracture locations, the predictions from all-hex and offset hex-shell models of the second and fourth ribs agreed better with experimental data than those from the tenth rib models in terms of reaction force at fracture (difference <15.4%), ultimate failure displacement and time (difference <7.3%), and cortical bone strains. The hex-shell models with shell nodes in outer cortical surfaces increased static reaction forces up to 16.6%, compared to offset hex-shell models. These results indicated that both all-hex and hex-shell modeling strategies were applicable for simulating rib responses and bone fractures for the loading conditions considered, but coarse hex-shell models with constant or variable shell thickness were more computationally efficient and therefore preferred. Copyright 2009 Elsevier Ltd. All rights reserved.

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

Gamow-Teller transitions between proton h11/2 and neutron h9/2 partner orbitals in 140I

NASA Astrophysics Data System (ADS)

Moon, B.; Moon, C.-B.; Odahara, A.; Lozeva, R.; Söderström, P.-A.; Nishimura, S.; Yuan, C.; Hong, B.; for theNP1112-RIBF87 Collaboration

2018-04-01

The excited states of the neutron-rich nucleus 140I were, for the first time, investigated by a β-delayed γ-ray spectroscopy. The parent nuclide 140Te was produced through the in-flight fission of the 238U beam at 345 MeV per nucleon on a 9Be target at the Radioactive Isotope Beam Factory (RIBF), RIKEN in Japan. The half-life of 140Te was measured to be 350(5) ms and the spin-parity of ground state of 140I was found to be 2-. The spin-parities of three levels at 926, 1188, and 1787 keV were assigned as 1+ based on log f t values. These allowed Gamow-Teller (G-T) transition-states could be interpreted as the transformation of a neutron in the h9/2 orbital into a proton in the h11/2 orbital. Systematic features of level structures and G-T transitions are discussed in the frameworks of the large-scale shell model and deformed shell model.

Facile preparation of core-shell magnetic metal-organic framework nanospheres for the selective enrichment of endogenous peptides.

PubMed

Xiong, Zhichao; Ji, Yongsheng; Fang, Chunli; Zhang, Quanqing; Zhang, Lingyi; Ye, Mingliang; Zhang, Weibing; Zou, Hanfa

2014-06-10

Facile preparation of core-shell magnetic metal-organic framework nanospheres by a layer-by-layer approach is presented. The nanospheres have high surface area (285.89 cm(2)  g(-1)), large pore volume (0.18 cm(3)  g(-1)), two kinds of mesopores (2.50 and 4.72 nm), excellent magnetic responsivity (55.65 emu g(-1)), structural stability, and good dispersibility. The combination of porosity, hydrophobicity, and uniform magnetism was exploited for effective enrichment of peptides with simultaneous exclusion of high molecular weight proteins. The nanospheres were successfully applied in the selective enrichment of endogenous peptides in human serum. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reducing Iridium Loading in Oxygen Evolution Reaction Electrocatalysts Using Core–Shell Particles with Nitride Cores

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

Tackett, Brian M.; Sheng, Wenchao; Kattel, Shyam

Here, the oxygen evolution reaction (OER) has broad applications in electrochemical devices, but it often requires expensive and scarce Ir-based catalysts in acid electrolyte. Presented here is a framework to reduce Ir loading by combining core–shell iridium/metal nitride morphologies using in situ experiments and density functional theory (DFT) calculations. Several group VIII transition metal (Fe, Co, and Ni) nitrides are studied as core materials, with Ir/Fe 4N core–shell particles showing enhancement in both OER activity and stability. In situ X-ray absorption fine structure measurements are used to determine the structure and stability of the core–shell catalysts under OER conditions. DFTmore » calculations are used to demonstrate adsorbate binding energies as descriptors of the observed activity trends.« less

Reducing Iridium Loading in Oxygen Evolution Reaction Electrocatalysts Using Core–Shell Particles with Nitride Cores

DOE PAGES

Tackett, Brian M.; Sheng, Wenchao; Kattel, Shyam; ...

2018-02-16

Here, the oxygen evolution reaction (OER) has broad applications in electrochemical devices, but it often requires expensive and scarce Ir-based catalysts in acid electrolyte. Presented here is a framework to reduce Ir loading by combining core–shell iridium/metal nitride morphologies using in situ experiments and density functional theory (DFT) calculations. Several group VIII transition metal (Fe, Co, and Ni) nitrides are studied as core materials, with Ir/Fe 4N core–shell particles showing enhancement in both OER activity and stability. In situ X-ray absorption fine structure measurements are used to determine the structure and stability of the core–shell catalysts under OER conditions. DFTmore » calculations are used to demonstrate adsorbate binding energies as descriptors of the observed activity trends.« less

Large-basis ab initio no-core shell model and its application to {sup 12}C

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

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

2000-11-01

We present the framework for the ab initio no-core nuclear shell model and apply it to obtain properties of {sup 12}C. We derive two-body effective interactions microscopically for specific model spaces from the realistic CD-Bonn and the Argonne V8' nucleon-nucleon (NN) potentials. We then evaluate binding energies, excitation spectra, radii, and electromagnetic transitions in the 0{Dirac_h}{Omega}, 2{Dirac_h}{Omega}, and 4{Dirac_h}{Omega} model spaces for the positive-parity states and the 1{Dirac_h}{Omega}, 3{Dirac_h}{Omega}, and 5{Dirac_h}{Omega} model spaces for the negative-parity states. Dependence on the model-space size, on the harmonic-oscillator frequency, and on the type of the NN potential, used for the effective interaction derivation,more » are studied. In addition, electromagnetic and weak neutral elastic charge form factors are calculated in the impulse approximation. Sensitivity of the form-factor ratios to the strangeness one-body form-factor parameters and to the influence of isospin-symmetry violation is evaluated and discussed. Agreement between theory and experiment is favorable for many observables, while others require yet larger model spaces and/or three-body forces. The limitations of the present results are easily understood by virtue of the trends established and previous phenomenological results.« less

Evidence of Soft Dipole Resonance in Li 11 with Isoscalar Character

NASA Astrophysics Data System (ADS)

Kanungo, R.; Sanetullaev, A.; Tanaka, J.; Ishimoto, S.; Hagen, G.; Myo, T.; Suzuki, T.; Andreoiu, C.; Bender, P.; Chen, A. A.; Davids, B.; Fallis, J.; Fortin, J. P.; Galinski, N.; Gallant, A. T.; Garrett, P. E.; Hackman, G.; Hadinia, B.; Jansen, G.; Keefe, M.; Krücken, R.; Lighthall, J.; McNeice, E.; Miller, D.; Otsuka, T.; Purcell, J.; Randhawa, J. S.; Roger, T.; Rojas, A.; Savajols, H.; Shotter, A.; Tanihata, I.; Thompson, I. J.; Unsworth, C.; Voss, P.; Wang, Z.

2015-05-01

The first conclusive evidence of a dipole resonance in Li 11 having isoscalar character observed from inelastic scattering with a novel solid deuteron target is reported. The experiment was performed at the newly commissioned IRIS facility at TRIUMF. The results show a resonance peak at an excitation energy of 1.03 ±0.03 MeV with a width of 0.51 ±0.11 MeV (FWHM). The angular distribution is consistent with a dipole excitation in the distorted-wave Born approximation framework. The observed resonance energy together with shell model calculations show the first signature that the monopole tensor interaction is important in Li 11 . The first ab initio calculations in the coupled cluster framework are also presented.

Metal Oxide Assisted Preparation of Core-Shell Beads with Dense Metal-Organic Framework Coatings for the Enhanced Extraction of Organic Pollutants.

PubMed

Del Rio, Mateo; Palomino Cabello, Carlos; Gonzalez, Veronica; Maya, Fernando; Parra, Jose B; Cerdà, Victor; Turnes Palomino, Gemma

2016-08-08

Dense and homogeneous metal-organic framework (MOF) coatings on functional bead surfaces are easily prepared by using intermediate sacrificial metal oxide coatings containing the metal precursor of the MOF. Polystyrene (PS) beads are coated with a ZnO layer to give ZnO@PS core-shell beads. The ZnO@PS beads are reactive in the presence of 2-methylimidazole to transform part of the ZnO coating into a porous zeolitic imidazolate framework-8 (ZIF-8) external shell positioned above the internal ZnO precursor shell. The obtained ZIF-8@ZnO@PS beads can be easily packed in column format for flow-through applications, such as the solid-phase extraction of trace priority-listed environmental pollutants. The prepared material shows an excellent permeance to flow when packed as a column to give high enrichment factors, facile regeneration, and excellent reusability for the extraction of the pollutant bisphenol A. It also shows an outstanding performance for the simultaneous enrichment of mixtures of endocrine disrupting chemicals (bisphenol A, 4-tert-octylphenol and 4-n-nonylphenol), facilitating their analysis when present at very low levels (<1 μg L(-1) ) in drinking waters. For the extraction of the pollutant bisphenol A, the prepared ZIF-8@ZnO@PS beads also show a superior extraction and preconcentration capacity to that of the PS beads used as precursors and the composite materials obtained by the direct growth of ZIF-8 on the surface of the PS beads in the absence of metal oxide intermediate coatings. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of repeated signals during shell fights in the hermit crab Pagurus bernhardus

PubMed Central

Briffa, M.; Elwood, R. W.; Dick, J. T. A.

1998-01-01

Shell exchanges between hermit crabs may occur after a period of shell rapping, when the initiating or attacking crab brings its shell rapidly and repeatedly into contact with the shell of the non-initiator or defender, in a series of bouts. There are two opposing models of hermit crab shell exchange and the function of shell rapping. The negotiation model views shell exchange as a mutualistic activity, in which the initiator supplies information about the quality of its shell via the fundamental frequency of the rapping sound. The aggression model views shell rapping as either detrimental to the defending crab, or as providing it with information about the initiator's ability or motivation to continue, or both. The negotiation model makes no predictions about the temporal pattern of rapping, but under the aggression model it would be expected that crabs that rapped more vigorously would be more likely to effect an exchange. Repeating the signal could be expected under either model. Crabs that achieve an exchange rap more vigorously, rapping is more persistent when a clear gain in shell quality may be achieved, and the vigour is greater when the relative resource-holding potential (or 'fighting ability') is high. These findings support the aggression model rather than the negotiation model. Contrary to the predictions of game theory, crabs that do not effect an exchange appear to signal that they are about to give up. The data suggest that rapping is performed repeatedly because the accumulation of all of the performances acts as a signal of stamina.

Addressing numerical challenges in introducing a reactive transport code into a land surface model: A biogeochemical modeling proof-of-concept with CLM-PFLOTRAN 1.0: Modeling Archive

DOE Data Explorer

Tang, G.; Andre, B.; Hoffman, F. M.; Painter, S. L.; Thornton, P. E.; Yuan, F.; Bisht, G.; Hammond, G. E.; Lichtner, P. C.; Kumar, J.; Mills, R. T.; Xu, X.

2016-04-19

This Modeling Archive is in support of an NGEE Arctic discussion paper under review and available at doi:10.5194/gmd-9-927-2016. The purpose is to document the simulations to allow verification, reproducibility, and follow-up studies. This dataset contains shell scripts to create the CLM-PFLOTRAN cases, specific input files for PFLOTRAN and CLM, outputs, and python scripts to make the figures using the outputs in the publication. Through these results, we demonstrate that CLM-PFLOTRAN can approximately reproduce CLM results in selected cases for the Arctic, temperate and tropic sites. In addition, the new framework facilitates mechanistic representations of soil biogeochemistry processes in the land surface model.

Tracking Water Diffusion Fronts in a Highly Viscous Aerosol Particle

NASA Astrophysics Data System (ADS)

Bastelberger, Sandra; Krieger, Ulrich; Peter, Thomas

2016-04-01

Field measurements indicate that atmospheric secondary aerosol particles can be present in a highly viscous, glassy state [1]. In contrast to liquid state particles, the gas phase equilibration is kinetically limited and governed by condensed phase diffusion. In recent water diffusion experiments on highly viscous single aerosol particles levitated in an electrodynamic balance (EDB) we observed a characteristic shift behavior of the Mie whispering gallery modes (WGM) indicative of the changing radial structure of the particle, thus providing us with an experimental method to track the diffusion process inside the particle. When a highly viscous, homogeneous particle is exposed to an abrupt increase in relative humidity, the rapid gas phase diffusion and strong concentration dependence of the diffusion coefficient in the condensed phase lead to extremely steep water concentration gradients inside the particle, reminiscent of diffusion fronts. The resulting quasi step-like concentration profile motivates the introduction of a simple core-shell model describing the morphology of the non-equilibrium particle during humidification. The subsequent particle growth and reduction of the shell refractive index can be observed as red and blueshift behavior of the WGM, respectively. The shift pattern can be attributed to a core-shell radius ratio and particle radius derived from model calculations [2]. If supplemented with growth information obtained from the WGM redshift and thermodynamic equilibrium data, we can infer a comprehensive picture of the time evolution of the diffusion fronts in the framework of our core-shell model. The measured time dependent concentration profile is then compared with simulations solving the non-linear diffusion equation [3] [1] Virtanen, A., et al., Nature, 467, 824-827, 2010 [2] Kaiser, T., Schweiger, G., Computers in Physics, Vol. 7, No. 6, 682-686, Nov/Dec 1993 [3] Zobrist, B., Soonsin, V., Luo, B.P., Peter, T. et al., Phys. Chem. Chem. Phys., 13,3514-3526, 2011

Resource Letter NSM-1: New insights into the nuclear shell model

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

Dean, David Jarvis; Hamilton, J. H.

2011-01-01

This Resource Letter provides a guide to the literature on the spherical shell model as applied to nuclei. The nuclear shell model describes the structure of nuclei starting with a nuclear core developed by the classical neutron and proton magic numbers N,Z=2,8,20,28,50,82, 126, where gaps occur in the single-particle energies as a shell is filled, and the interactions of valence nucleons that reside beyond that core. Various modern extensions of this model for spherical nuclei are likewise described. Significant extensions of the nuclear shell model include new magic numbers for spherical nuclei and now for deformed nuclei as well. Whenmore » both protons and neutrons have shell gaps at the same spherical or deformed shapes, they can reinforce each other to give added stability to that shape and lead to new magic numbers. The vanishings of the classical spherical shell model energy gaps and magic numbers in new neutron-rich nuclei are described. Spherical and deformed shell gaps are seen to be critical for the existence of elements with Z > 100.« less

The Offline Software Framework of the NA61/SHINE Experiment

NASA Astrophysics Data System (ADS)

Sipos, Roland; Laszlo, Andras; Marcinek, Antoni; Paul, Tom; Szuba, Marek; Unger, Michael; Veberic, Darko; Wyszynski, Oskar

2012-12-01

NA61/SHINE (SHINE = SPS Heavy Ion and Neutrino Experiment) is an experiment at the CERN SPS using the upgraded NA49 hadron spectrometer. Among its physics goals are precise hadron production measurements for improving calculations of the neutrino beam flux in the T2K neutrino oscillation experiment as well as for more reliable simulations of cosmic-ray air showers. Moreover, p+p, p+Pb and nucleus+nucleus collisions will be studied extensively to allow for a study of properties of the onset of deconfinement and search for the critical point of strongly interacting matter. Currently NA61/SHINE uses the old NA49 software framework for reconstruction, simulation and data analysis. The core of this legacy framework was developed in the early 1990s. It is written in different programming and scripting languages (C, pgi-Fortran, shell) and provides several concurrent data formats for the event data model, which includes also obsolete parts. In this contribution we will introduce the new software framework, called Shine, that is written in C++ and designed to comprise three principal parts: a collection of processing modules which can be assembled and sequenced by the user via XML files, an event data model which contains all simulation and reconstruction information based on STL and ROOT streaming, and a detector description which provides data on the configuration and state of the experiment. To assure a quick migration to the Shine framework, wrappers were introduced that allow to run legacy code parts as modules in the new framework and we will present first results on the cross validation of the two frameworks.

Dynamics of Inhomogeneous Shell Systems Under Non-Stationary Loading (Survey)

NASA Astrophysics Data System (ADS)

Lugovoi, P. Z.; Meish, V. F.

2017-09-01

Experimental works on the determination of dynamics of smooth and stiffened cylindrical shells contacting with a soil medium under various non-stationary loading are reviewed. The results of studying three-layer shells of revolution whose motion equations are obtained within the framework of the hypotheses of the Timoshenko geometrically nonlinear theory are stated. The numerical results for shells with a piecewise or discrete filler enable the analysis of estimation of the influence of geometrical and physical-mechanical parameters of structures on their dynamics and reveal new mechanical effects. Basing on the classical theory of shells and rods, the effect of the discrete arrangement of ribs and coefficients of the Winkler or Pasternak elastic foundation on the normal frequencies and modes of rectangular planar cylindrical and spherical shells is studied. The number and shape of dispersion curves for longitudinal harmonic waves in a stiffened cylindrical shell are determined. The equations of vibrations of ribbed shells of revolution on Winkler or Pasternak elastic foundation are obtained using the geometrically nonlinear theory and the Timoshenko hypotheses. On applying the integral-interpolational method, numerical algorithms are developed and the corresponding non-stationary problems are solved. The special attention is paid to the statement and solution of coupled problems on the dynamical interaction of cylindrical or spherical shells with the soil water-saturated medium of different structure.

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

NASA Astrophysics Data System (ADS)

Lai, Changliang; Wang, Junbiao; Liu, Chuang

2014-10-01

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

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

Vakili, Hajar; Rahvar, Sohrab; Kroupa, Pavel, E-mail: vakili@physics.sharif.edu

Shell galaxies are understood to form through the collision of a dwarf galaxy with an elliptical galaxy. Shell structures and kinematics have been noted to be independent tools to measure the gravitational potential of the shell galaxies. We compare theoretically the formation of shells in Type I shell galaxies in different gravity theories in this work because this is so far missing in the literature. We include Newtonian plus dark halo gravity, and two non-Newtonian gravity models, MOG and MOND, in identical initial systems. We investigate the effect of dynamical friction, which by slowing down the dwarf galaxy in themore » dark halo models limits the range of shell radii to low values. Under the same initial conditions, shells appear on a shorter timescale and over a smaller range of distances in the presence of dark matter than in the corresponding non-Newtonian gravity models. If galaxies are embedded in a dark matter halo, then the merging time may be too rapid to allow multi-generation shell formation as required by observed systems because of the large dynamical friction effect. Starting from the same initial state, the observation of small bright shells in the dark halo model should be accompanied by large faint ones, while for the case of MOG, the next shell generation patterns iterate with a specific time delay. The first shell generation pattern shows a degeneracy with the age of the shells and in different theories, but the relative distance of the shells and the shell expansion velocity can break this degeneracy.« less

Response function of a superheated drop neutron monitor with lead shell in the thermal to 400-MeV energy range.

PubMed

Itoga, Toshiro; Asano, Yoshihiro; Tanimura, Yoshihiko

2011-07-01

Superheated drop detectors are currently used for personal and environmental dosimetry and their characteristics such as response to neutrons and temperature dependency are well known. A new bubble counter based on the superheated drop technology has been developed by Framework Scientific. However, the response of this detector with the lead shell is not clear especially above several tens of MeV. In this study, the response has been measured with quasi-monoenergetic and monoenergetic neutron sources with and without a lead shell. The experimental results were compared with the results of the Monte Carlo calculations using the 'Event Generator Mode' in the PHITS code with the JENDL-HE/2007 data library to clarify the response of this detector with a lead shell in the entire energy range.

Multifunctional Au-Fe3O4@MOF core-shell nanocomposite catalysts with controllable reactivity and magnetic recyclability

NASA Astrophysics Data System (ADS)

Ke, Fei; Wang, Luhuan; Zhu, Junfa

2014-12-01

The recovery and reuse of expensive catalysts are important in both heterogeneous and homogeneous catalysis due to economic and environmental reasons. This work reports a novel multifunctional magnetic core-shell gold catalyst which can be easily prepared and shows remarkable catalytic properties in the reduction of 4-nitrophenol. The novel Au-Fe3O4@metal-organic framework (MOF) catalyst consists of a superparamagnetic Au-Fe3O4 core and a porous MOF shell with controllable thickness. Small Au nanoparticles (NPs) of 3-5 nm are mainly sandwiched between the Fe3O4 core and the porous MOF shell. Catalytic studies show that the core-shell structured Au-Fe3O4@MOF catalyst has a much higher catalytic activity than other reported Au-based catalysts toward the reduction of 4-nitrophenol. Moreover, this catalyst can be easily recycled due to the presence of the superparamagnetic core. Therefore, compared to conventional catalysts used in the reduction of 4-nitrophenol, this porous MOF-based magnetic catalyst is green, cheap and promising for industrial applications.The recovery and reuse of expensive catalysts are important in both heterogeneous and homogeneous catalysis due to economic and environmental reasons. This work reports a novel multifunctional magnetic core-shell gold catalyst which can be easily prepared and shows remarkable catalytic properties in the reduction of 4-nitrophenol. The novel Au-Fe3O4@metal-organic framework (MOF) catalyst consists of a superparamagnetic Au-Fe3O4 core and a porous MOF shell with controllable thickness. Small Au nanoparticles (NPs) of 3-5 nm are mainly sandwiched between the Fe3O4 core and the porous MOF shell. Catalytic studies show that the core-shell structured Au-Fe3O4@MOF catalyst has a much higher catalytic activity than other reported Au-based catalysts toward the reduction of 4-nitrophenol. Moreover, this catalyst can be easily recycled due to the presence of the superparamagnetic core. Therefore, compared to conventional catalysts used in the reduction of 4-nitrophenol, this porous MOF-based magnetic catalyst is green, cheap and promising for industrial applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr05421k

Full f-p Shell Calculation of {sup 51}Ca and {sup 51}Sc

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

Novoselsky, A.; Vallieres, M.; Laadan, O.

The spectra and the electromagnetic transitions of the nuclei {sup 51}Ca and {sup 51}Sc with 11 nucleons in the {ital f-p} shell are described in the nuclear shell-model approach by using two different two-body effective interactions. The full {ital f-p} shell basis functions are used with no truncation. The new parallel shell-model computer code DUPSM (Drexel University parallel shell model), that we recently developed, has been used. The calculations have been done on the MOSIX parallel machine at the Hebrew University of Jerusalem. {copyright} {ital 1997} {ital The American Physical Society}

LDH nanocages synthesized with MOF templates and their high performance as supercapacitors.

PubMed

Jiang, Zhen; Li, Zhengping; Qin, Zhenhua; Sun, Haiyan; Jiao, Xiuling; Chen, Dairong

2013-12-07

Layered double hydroxides (LDHs) are currently attracting intense research interest for their various applications. Three LDH hollow nano-polyhedra are synthesized with zeolitic imidazolate framework-67 (ZIF-67) nanocrystals as the templates. The nanocages well inherit the rhombic dodecahedral shape of the ZIF-67 templates, and the shell is composed of nanosheets assembled with an edge-to-face stacking. This is the first synthesis of the LDH non-spherical structures. And the mechanism of utilizing metal-organic framework (MOF) nanocrystals as templates is explored. Control of the simultaneous reactions, the precipitation of the shells and the template etching, is extremely crucial to the preparation of the perfect nanocages. And the Ni-Co LDH nanocages exhibit superior pseudocapacitance property due to their novel hierarchical and submicroscopic structures.

Multi-Shell Hybrid Diffusion Imaging (HYDI) at 7 Tesla in TgF344-AD Transgenic Alzheimer Rats.

PubMed

Daianu, Madelaine; Jacobs, Russell E; Weitz, Tara M; Town, Terrence C; Thompson, Paul M

2015-01-01

Diffusion weighted imaging (DWI) is widely used to study microstructural characteristics of the brain. Diffusion tensor imaging (DTI) and high-angular resolution imaging (HARDI) are frequently used in radiology and neuroscience research but can be limited in describing the signal behavior in composite nerve fiber structures. Here, we developed and assessed the benefit of a comprehensive diffusion encoding scheme, known as hybrid diffusion imaging (HYDI), composed of 300 DWI volumes acquired at 7-Tesla with diffusion weightings at b = 1000, 3000, 4000, 8000 and 12000 s/mm2 and applied it in transgenic Alzheimer rats (line TgF344-AD) that model the full clinico-pathological spectrum of the human disease. We studied and visualized the effects of the multiple concentric "shells" when computing three distinct anisotropy maps-fractional anisotropy (FA), generalized fractional anisotropy (GFA) and normalized quantitative anisotropy (NQA). We tested the added value of the multi-shell q-space sampling scheme, when reconstructing neural pathways using mathematical frameworks from DTI and q-ball imaging (QBI). We show a range of properties of HYDI, including lower apparent anisotropy when using high b-value shells in DTI-based reconstructions, and increases in apparent anisotropy in QBI-based reconstructions. Regardless of the reconstruction scheme, HYDI improves FA-, GFA- and NQA-aided tractography. HYDI may be valuable in human connectome projects and clinical research, as well as magnetic resonance research in experimental animals.

A Theoretical Investigation of Composite Overwrapped Pressure Vessel (COPV) Mechanics Applied to NASA Full Scale Tests

NASA Technical Reports Server (NTRS)

Thesken, John C.; Murthy, Pappu L. N.; Phoenix, S. L.; Greene, N.; Palko, Joseph L.; Eldridge, Jeffrey; Sutter, James; Saulsberry, R.; Beeson, H.

2009-01-01

A theoretical investigation of the factors controlling the stress rupture life of the National Aeronautics and Space Administration's (NASA) composite overwrapped pressure vessels (COPVs) continues. Kevlar (DuPont) fiber overwrapped tanks are of particular concern due to their long usage and the poorly understood stress rupture process in Kevlar filaments. Existing long term data show that the rupture process is a function of stress, temperature and time. However due to the presence of a load sharing liner, the manufacturing induced residual stresses and the complex mechanical response, the state of actual fiber stress in flight hardware and test articles is not clearly known. This paper is a companion to a previously reported experimental investigation and develops a theoretical framework necessary to design full-scale pathfinder experiments and accurately interpret the experimentally observed deformation and failure mechanisms leading up to static burst in COPVs. The fundamental mechanical response of COPVs is described using linear elasticity and thin shell theory and discussed in comparison to existing experimental observations. These comparisons reveal discrepancies between physical data and the current analytical results and suggest that the vessel s residual stress state and the spatial stress distribution as a function of pressure may be completely different from predictions based upon existing linear elastic analyses. The 3D elasticity of transversely isotropic spherical shells demonstrates that an overly compliant transverse stiffness relative to membrane stiffness can account for some of this by shifting a thin shell problem well into the realm of thick shell response. The use of calibration procedures are demonstrated as calibrated thin shell model results and finite element results are shown to be in good agreement with the experimental results. The successes reported here have lead to continuing work with full scale testing of larger NASA COPV hardware.

Electric and Magnetic Dipole Strength at Low Energy.

PubMed

Sieja, K

2017-08-04

A low-energy enhancement of radiative strength functions was deduced from recent experiments in several mass regions of nuclei, which is believed to impact considerably the calculated neutron capture rates. In this Letter we investigate the behavior of the low-energy γ-ray strength of the ^{44}Sc isotope, for the first time taking into account both electric and magnetic dipole contributions obtained coherently in the same theoretical approach. The calculations are performed using the large-scale shell-model framework in a full 1ℏω  sd-pf-gds model space. Our results corroborate previous theoretical findings for the low-energy enhancement of the M1 strength but show quite different behavior for the E1 strength.

Numerical modelling of physical processes in a ballistic laboratory setup with a tapered adapter and plastic piston used for obtaining high muzzle velocities

NASA Astrophysics Data System (ADS)

Bykov, N. V.

2014-12-01

Numerical modelling of a ballistic setup with a tapered adapter and plastic piston is considered. The processes in the firing chamber are described within the framework of quasi- one-dimensional gas dynamics and a geometrical law of propellant burn by means of Lagrangian mass coordinates. The deformable piston is considered to be an ideal liquid with specific equations of state. The numerical solution is obtained by means of a modified explicit von Neumann scheme. The calculation results given show that the ballistic setup with a tapered adapter and plastic piston produces increased shell muzzle velocities by a factor of more than 1.5-2.

Energy emission from a high curvature region and its backreaction

NASA Astrophysics Data System (ADS)

Kokubu, Takafumi; Jhingan, Sanjay; Harada, Tomohiro

2018-05-01

A strong gravity naked singular region can give important clues toward understanding the classical as well as spontaneous nature of General Relativity. We propose here a model for energy emission from a naked singular region in a self-similar dust spacetime by gluing two self-similar dust solutions at the Cauchy horizon. The energy is defined and evaluated as a surface energy of a null hypersurface, the null shell. Also included are scenarios of the spontaneous creation or disappearance of a singularity, the end of inflation, black hole formation, and bubble nucleation. Our examples investigated here explicitly show that one can model unlimitedly luminous and energetic objects in the framework of General Relativity.

Steady state model for the thermal regimes of shells of airships and hot air balloons

NASA Astrophysics Data System (ADS)

Luchev, Oleg A.

1992-10-01

A steady state model of the temperature regime of airships and hot air balloons shells is developed. The model includes three governing equations: the equation of the temperature field of airships or balloons shell, the integral equation for the radiative fluxes on the internal surface of the shell, and the integral equation for the natural convective heat exchange between the shell and the internal gas. In the model the following radiative fluxes on the shell external surface are considered: the direct and the earth reflected solar radiation, the diffuse solar radiation, the infrared radiation of the earth surface and that of the atmosphere. For the calculations of the infrared external radiation the model of the plane layer of the atmosphere is used. The convective heat transfer on the external surface of the shell is considered for the cases of the forced and the natural convection. To solve the mentioned set of the equations the numerical iterative procedure is developed. The model and the numerical procedure are used for the simulation study of the temperature fields of an airship shell under the forced and the natural convective heat transfer.

Microscopic Shell Model Calculations for sd-Shell Nuclei

NASA Astrophysics Data System (ADS)

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

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

Improvement of Progressive Damage Model to Predicting Crashworthy Composite Corrugated Plate

NASA Astrophysics Data System (ADS)

Ren, Yiru; Jiang, Hongyong; Ji, Wenyuan; Zhang, Hanyu; Xiang, Jinwu; Yuan, Fuh-Gwo

2018-02-01

To predict the crashworthy composite corrugated plate, different single and stacked shell models are evaluated and compared, and a stacked shell progressive damage model combined with continuum damage mechanics is proposed and investigated. To simulate and predict the failure behavior, both of the intra- and inter- laminar failure behavior are considered. The tiebreak contact method, 1D spot weld element and cohesive element are adopted in stacked shell model, and a surface-based cohesive behavior is used to capture delamination in the proposed model. The impact load and failure behavior of purposed and conventional progressive damage models are demonstrated. Results show that the single shell could simulate the impact load curve without the delamination simulation ability. The general stacked shell model could simulate the interlaminar failure behavior. The improved stacked shell model with continuum damage mechanics and cohesive element not only agree well with the impact load, but also capture the fiber, matrix debonding, and interlaminar failure of composite structure.

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

Jaganathen, Y.; Betan, R. M. Id; Michel, N.

Background: The structure of weakly bound and unbound nuclei close to particle drip lines is one of the major science drivers of nuclear physics. A comprehensive understanding of these systems goes beyond the traditional configuration interaction approach formulated in the Hilbert space of localized states (nuclear shell model) and requires an open quantum system description. The complex-energy Gamow shell model (GSM) provides such a framework as it is capable of describing resonant and nonresonant many-body states on equal footing. Purpose: To make reliable predictions, quality input is needed that allows for the full uncertainty quantification of theoretical results. In thismore » study, we carry out the optimization of an effective GSM (one-body and two-body) interaction in the psdf-shell-model space. The resulting interaction is expected to describe nuclei with 5 ≤ A ≲ 12 at the p-sd-shell interface. Method: The one-body potential of the 4He core is modeled by a Woods-Saxon + spin-orbit + Coulomb potential, and the finite-range nucleon-nucleon interaction between the valence nucleons consists of central, spin-orbit, tensor, and Coulomb terms. The GSM is used to compute key fit observables. The χ 2 optimization is performed using the Gauss-Newton algorithm augmented by the singular value decomposition technique. The resulting covariance matrix enables quantification of statistical errors within the linear regression approach. Results: The optimized one-body potential reproduces nucleon- 4He scattering phase shifts up to an excitation energy of 20 MeV. The two-body interaction built on top of the optimized one-body field is adjusted to the bound and unbound ground-state binding energies and selected excited states of the helium, lithium, and beryllium isotopes up to A = 9 . A very good agreement with experimental results was obtained for binding energies. First applications of the optimized interaction include predictions for two-nucleon correlation densities and excitation spectra of light nuclei with quantified uncertainties. In conclusion: The new interaction will enable comprehensive and fully quantified studies of structure and reactions aspects of nuclei from the psd region of the nuclear chart.« less

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

NASA Technical Reports Server (NTRS)

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

2002-01-01

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

Anomalous Photoionization in Xe

NASA Astrophysics Data System (ADS)

Klapisch, Marcel; Busquet, Michel

2012-10-01

Photoionization (PI) cross sections are important components of the opacities that are necessary for the simulation of astrophysical and ICF plasmas. Most of PI cross sections (i) start abruptly at threshold and (ii) decrease as an inverse power (e.g.3^rd) of the photon energy. In the framework of the CRASH project [1] we computed Xe opacities with the STA code [2]. We observed that the PI cross section for the 4d shell has neither of these 2 characteristics. We explain this result as interference between the bound 4d wavefunction (wf), the photon, and the free electron wf. Similar, but less pronounced effects are seen for the 5d and 5p shells. Simplified models of PI not involving the actual wf would not show this effect and would probably be inaccurate.[4pt] [1] Doss, F. W., Drake, R. P., and Kuranz, C. C., High Ener. Dens. Phys. 6, 157-61.[0pt] [2] Busquet, M., Klapisch, M., Bar-Shalom, A., et al., Bull. Am. Phys. Soc. 55, 225 (2010).

Nucleon correlations and the structure of Zn 41 30 71

DOE PAGES

Bottoni, Simone; Zhu, S.; Janssens, R. V. F.; ...

2017-11-06

Here, the structure of 71Zn was investigated by one-neutron transfer and heavy-ion induced complex (deep-inelastic) reactions using the GRETINA-CHICO2 and the Gammasphere setups, respectively. The observed inversion between the 9/2 + and 1/2 – states is explained in terms of the role of neutron pairing correlations. Non-collective sequences of levels were delineated above the 9/2 + isomeric state. These are interpreted as being associated with a modest oblate deformation in the framework of Monte-Carlo shell-model calculations carried out with the A3DA-m Hamiltonian in the pfg 9/2d 5/2 valence space. Similarities with the structure of 68 28Ni 40 were observed andmore » the shape-coexistence mechanism in the N = 40 region of neutron-rich nuclei is discussed in terms of the so-called Type-II shell evolution, with an emphasis on proton–neutron correlations between valence nucleons, especially those involving the shape-driving g 9/2 neutron orbital.« less

Nucleon correlations and the structure of 41 30 71Zn

NASA Astrophysics Data System (ADS)

Bottoni, S.; Zhu, S.; Janssens, R. V. F.; Carpenter, M. P.; Tsunoda, Y.; Otsuka, T.; Macchiavelli, A. O.; Cline, D.; Wu, C. Y.; Ayangeakaa, A. D.; Bucher, B.; Buckner, M. Q.; Campbell, C. M.; Chiara, C. J.; Crawford, H. L.; Cromaz, M.; David, H. M.; Fallon, P.; Gade, A.; Greene, J. P.; Harker, J.; Hayes, A. B.; Hoffman, C. R.; Kay, B. P.; Korichi, A.; Lauritsen, T.; Sethi, J.; Seweryniak, D.; Walters, W. B.; Weisshaar, D.; Wiens, A.

2017-12-01

The structure of 71Zn was investigated by one-neutron transfer and heavy-ion induced complex (deep-inelastic) reactions using the GRETINA-CHICO2 and the Gammasphere setups, respectively. The observed inversion between the 9/2+ and 1/2- states is explained in terms of the role of neutron pairing correlations. Non-collective sequences of levels were delineated above the 9/2+ isomeric state. These are interpreted as being associated with a modest oblate deformation in the framework of Monte-Carlo shell-model calculations carried out with the A3DA-m Hamiltonian in the pfg9/2d5/2 valence space. Similarities with the structure of 40,28,68Ni were observed and the shape-coexistence mechanism in the N = 40 region of neutron-rich nuclei is discussed in terms of the so-called Type-II shell evolution, with an emphasis on proton-neutron correlations between valence nucleons, especially those involving the shape-driving g9/2 neutron orbital.

Electronic transport properties of inner and outer shells in near ohmic-contacted double-walled carbon nanotube transistors

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

Zhang, Yuchun; Zhou, Liyan; Zhao, Shangqian

2014-06-14

We investigate electronic transport properties of field-effect transistors based on double-walled carbon nanotubes, of which inner shells are metallic and outer shells are semiconducting. When both shells are turned on, electron-phonon scattering is found to be the dominant phenomenon. On the other hand, when outer semiconducting shells are turned off, a zero-bias anomaly emerges in the dependence of differential conductance on the bias voltage, which is characterized according to the Tomonaga-Luttinger liquid model describing tunneling into one-dimensional materials. We attribute these behaviors to different contact conditions for outer and inner shells of the double-walled carbon nanotubes. A simple model combiningmore » Luttinger liquid model for inner metallic shells and electron-phonon scattering in outer semiconducting shells is given here to explain our transport data at different temperatures.« less

Ultrasonic Device Would Open Pipe Bombs

NASA Technical Reports Server (NTRS)

El-Raheb, Michael S.; Adams, Marc A.; Zwissler, James G.

1991-01-01

Piezoelectric ultrasonic transducer, energized by frequency generator and power supply, vibrates shell of pipe bomb while hardly disturbing explosive inner material. Frequency-control circuitry senses resonance in shell and holds generator at that frequency to induce fatigue cracking in threads of end cap. In addition to disarming bombs, ultrasonically induced fatigue may have other applications. In manufacturing, replaces some machining and cutting operations. In repair of equipment, cleanly and quickly disassembles corroded parts. In demolition of buildings used to dismember steel framework safely and controllably.

Lattice dynamics of Cs2NaYbF6 and Cs2NaYF6 elpasolites: Ab initio calculation

NASA Astrophysics Data System (ADS)

Chernyshev, V. A.; Petrov, V. P.; Nikiforov, A. E.; Zakir'yanov, D. O.

2015-06-01

The ab initio calculations of the crystal structure and the phonon spectrum of Cs2NaYbF6 and Cs2NaYF6 crystals with the elpasolite structure have been performed. The frequencies and types of fundamental vibrations have been determined. The calculations have been performed in the framework of the density functional theory using the molecular orbital method with hybrid functionals in the CRYSTAL09 program developed for the simulation of periodic structures. The outer 5 s and 5 p shells of the rare-earth ion have been described in Gaussian-type basis sets. The influence of inner shells, including 4 f electron shells, on the outer shells has been described using the pseudopotential. It has been shown that this approach allows the description of the phonon spectrum with the inclusion of the splitting of the longitudinal and transverse optical modes.

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.

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.

Fabrication of core-shell Fe{sub 3}O{sub 4}@MIL-100(Fe) magnetic microspheres for the removal of Cr(VI) in aqueous solution

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

Yang, Qingxiang, E-mail: qxyangzz@163.com; Zhao, Qianqian; Ren, ShuangShuang

Facile regeneration of an adsorbent is very important for commercial feasibility. One typical highly porous metal-organic framework (MOF) materials based on MIL-100(Fe) and magnetic iron oxide particles (denoted as MMCs) with diameter about of 350 nm were successfully synthesized. The growth of MIL-100(Fe) shell on the surface of Fe{sub 3}O{sub 4} was utilized precursor as crystal seed via in-situ step hydrothermal reaction. It is a simple way to obtain well organized core-shell MOF composites, compared to the step-by-step method. MMCs were firstly used to uptake of Cr(VI) anions in aqueous solution. Adsorption experiments were carried out in batch sorption mode investigatingmore » with the factors of contact time (0–1000 min), pH (from 2 to 12), dose of adsorbent (4–25 mg), and initial Cr(VI) concentration (range from 10 to 100 ppm). - Graphical abstract: One typical highly porous metal-organic framework (MOF) materials based on MIL-100(Fe) and magnetic iron oxide particles (denoted as MMCs) were successfully synthesized. Utilizing Fe{sub 3}O{sub 4} precursor as crystal seed to grow MIL-100(Fe) shell by in-situ step hydrothermal reaction. It is a simple way to obtain core-shell MOF composites. MMCs could effectively uptake of Cr(VI) anions in aqueous solution. - Highlights: • Fe{sub 3}O{sub 4}@MIL-100(Fe) composites with core-shell structure were successfully prepared through a simple method. • The influence factors on Cr(VI) adsorption by Fe{sub 3}O{sub 4}@MIL-100(Fe) were investigated. • Cr(VI) can efficiently adsorbed by Fe{sub 3}O{sub 4}@MIL-100(Fe) composites from aqueous solution.« less

Amino acid racemization analysis (AAR) as a successful tool for dating Holocene coastal sediments: Stratigraphy of a barrier island spit (Southern Sylt/North Sea)

NASA Astrophysics Data System (ADS)

Tillmann, Tanja; Ziehe, Daniel

2014-05-01

Dating of Holocene sediments in shallow coastal areas of the German North Sea by conventional techniques is commonly problematic. In particular the marine reservoir effect of radiocarbon means that radiocarbon dating cannot be applied to sediments younger than about 400 years. Amino acid racemization dating (AAR) is a viable alternative for dating young sediments. The method is based on the determination of ratios of D and L amino acid enantiomers in organic matrices of biogenic carbonates. In this study we use AAR as a tool for dating Holocene barrier islands sediments. Based on an AAR derived chronological framework we develop a model of barrier spit accretion which describes the interaction between extreme events, fair weather coastal processes and sedimentary development that constrains the major episodes of barrier island evolution. The stratigraphy was defined using ground-penetrating radar (GPR) surveys complemented by sedimentological coring data. The stratigraphy is then conceptualised in a AAR chronostratigraphic framework to define a chronological order and allow the development of a stratigraphic model of the evolution of Southern Sylt. The AAR data provide high temporal resolution and have been used for dating stages of barrier spit accretion. The time lines are marked as storm surge generated erosion unconformities in the stratigraphic profile. Individual shells and shell fragments of Cerastoderma edule, Mya arenaria, Mytilus edulis and Scrobicularia plana have been accumulated by short-term storm events as shell layers associated with the erosion unconformities and have been dated by AAR. Time lines reveal that the barrier spit accretion occurred episodically, and is dependant on the provided rate of sand delivery. The general trend is that sequences young to the. South. The AAR derived time lines have been verified and correlated by historic maps and sea charts. It is apparent that spit enlargement at this site increased significantly during the Middle Ages (1593 - 1794) and was coupled with several intensive storm surges in this period. The findings indicate that when combined with GRR stratigraphy AAR provides useful results of high accuracy for dating stages of barrier spit progradation.

Factors controlling shell carbon isotopic composition of land snail Acusta despecta sieboldiana estimated from laboratory culturing experiment

NASA Astrophysics Data System (ADS)

Zhang, N.; Yamada, K.; Suzuki, N.; Yoshida, N.

2014-10-01

The carbon isotopic composition (δ13C) of land snail shell carbonate derives from three potential sources: diet, atmospheric CO2, and ingested carbonate (limestone). However, their relative contributions remain unclear. Under various environmental conditions, we cultured one land snail subspecies, Acusta despecta sieboldiana, collected from Yokohama, Japan, and confirmed that all of these sources affect shell carbonate δ13C values. Herein, we consider the influences of metabolic rates and temperature on the carbon isotopic composition of the shell carbonate. Based on results obtained from previous works and this study, a simple but credible framework is presented to illustrate how each source and environmental parameter affects shell carbonate δ13C values. According to this framework and some reasonable assumptions, we estimated the contributions of different carbon sources for each snail individual: for cabbage-fed (C3 plant) groups, the contributions of diet, atmospheric CO2, and ingested limestone vary in the ranges of 66-80, 16-24, and 0-13%, respectively. For corn-fed (C4 plant) groups, because of the possible food stress (less ability to consume C4 plants), the values vary in the ranges of 56-64, 18-20, and 16-26%, respectively. Moreover, according to the literature and our observations, the subspecies we cultured in this study show preferences towards different plant species for food. Therefore, we suggest that the potential food preference should be considered adequately for some species in paleoenvironment studies. Finally, we inferred that only the isotopic exchange of the calcite-HCO3--aragonite equilibrium during egg laying and hatching of our cultured snails controls carbon isotope fractionation.

Factors controlling shell carbon isotopic composition of land snail Acusta despecta sieboldiana estimated from lab culturing experiment

NASA Astrophysics Data System (ADS)

Zhang, N.; Yamada, K.; Suzuki, N.; Yoshida, N.

2014-05-01

The carbon isotopic composition (δ13C) of land snail shell carbonate derives from three potential sources: diet, atmospheric CO2, and ingested carbonate (limestone). However, their relative contributions remain unclear. Under various environmental conditions, we cultured one land snail species, Acusta despecta sieboldiana collected from Yokohama, Japan, and confirmed that all of these sources affect shell carbonate δ13C values. Herein, we consider the influences of metabolic rates and temperature on the carbon isotopic composition of the shell carbonate. Based on previous works and on results obtained in this study, a simple but credible framework is presented for discussion of how each source and environmental parameter can affect shell carbonate δ13C values. According to this framework and some reasonable assumptions, we have estimated the contributions of different carbon sources for each snail individual: for cabbage (C3 plant) fed groups, the contributions of diet, atmospheric CO2 and ingested limestone respectively vary as 66-80%, 16-24%, and 0-13%. For corn (C4 plant) fed groups, because of the possible food stress (lower consumption ability of C4 plant), the values vary respectively as 56-64%, 18-20%, and 16-26%. Moreover, we present new evidence that snails have discrimination to choose C3 and C4 plants as food. Therefore, we suggest that food preferences must be considered adequately when applying δ13C in paleo-environment studies. Finally, we inferred that, during egg laying and hatching of our cultured snails, carbon isotope fractionation is controlled only by the isotopic exchange of the calcite-HCO3--aragonite equilibrium.

Modeling of equilibrium hollow objects stabilized by electrostatics.

PubMed

Mani, Ethayaraja; Groenewold, Jan; Kegel, Willem K

2011-05-18

The equilibrium size of two largely different kinds of hollow objects behave qualitatively differently with respect to certain experimental conditions. Yet, we show that they can be described within the same theoretical framework. The objects we consider are 'minivesicles' of ionic and nonionic surfactant mixtures, and shells of Keplerate-type polyoxometalates. The finite-size of the objects in both systems is manifested by electrostatic interactions. We emphasize the importance of constant charge and constant potential boundary conditions. Taking these conditions into account, indeed, leads to the experimentally observed qualitatively different behavior of the equilibrium size of the objects.

Role of the ν g 9 / 2 orbital in the development of collectivity in the A ≈ 60 region: The case of Co 61

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

Ayangeakaa, A. D.; Zhu, S.; Janssens, R. V. F.

2015-04-01

An extensive study of the level structure of Co-61 has been performed following the complex Mg-26(Ca-48, 2 alpha 4np gamma)Co-61 reaction at beam energies of 275, 290, and 320 MeV using Gammasphere and the Fragment Mass Analyzer (FMA). The low-spin structure is discussed within the framework of shell-model calculations using the GXPF1A effective interaction. Two quasirotational bands consisting of stretched-E2 transitions have been established up to spins I = 41/2 and (43/2), and excitation energies of similar to 17 and similar to 20 MeV, respectively. These are interpreted as signature partners built on a neutron nu(g(9/2))(2) configuration coupled to amore » proton pi p(3/2) state, based on cranked shell model (CSM) calculations and comparisons with observations in neighboring nuclei. In addition, four Delta I = 1 bands were populated to high spin, with the yrast dipole band interpreted as a possible candidate for the shears mechanism, a process seldom observed thus far in this mass region.« less

Experimental analysis and numerical modeling of mollusk shells as a three dimensional integrated volume.

PubMed

Faghih Shojaei, M; Mohammadi, V; Rajabi, H; Darvizeh, A

2012-12-01

In this paper, a new numerical technique is presented to accurately model the geometrical and mechanical features of mollusk shells as a three dimensional (3D) integrated volume. For this purpose, the Newton method is used to solve the nonlinear equations of shell surfaces. The points of intersection on the shell surface are identified and the extra interior parts are removed. Meshing process is accomplished with respect to the coordinate of each point of intersection. The final 3D generated mesh models perfectly describe the spatial configuration of the mollusk shells. Moreover, the computational model perfectly matches with the actual interior geometry of the shells as well as their exterior architecture. The direct generation technique is employed to generate a 3D finite element (FE) model in ANSYS 11. X-ray images are taken to show the close similarity of the interior geometry of the models and the actual samples. A scanning electron microscope (SEM) is used to provide information on the microstructure of the shells. In addition, a set of compression tests were performed on gastropod shell specimens to obtain their ultimate compressive strength. A close agreement between experimental data and the relevant numerical results is demonstrated. Copyright © 2012 Elsevier Ltd. All rights reserved.

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

Global Job Opportunities with a ``Super-Major'' Oil and Gas Company

NASA Astrophysics Data System (ADS)

Baranovic, M. J.

2001-12-01

Shell International Exploration and Production Company is one of the world's largest private employers of geoscientists with approximately 1500 geophysicists and geologists employed worldwide. The companies of the Royal Dutch/Shell Group together produce, process, and deliver energy to consumers. Operating across the globe, in more than 130 countries and with more than 100,000 staff, Shell companies are guided by values developed over more than a century of successful enterprise. Responsibilities and Career Path - As a processing or research Geophysicist, you will use proprietary methods to prepare 2D and 3D seismic data volumes for the direct detection of hydrocarbons, the delineation of reservoirs or to define the stratigraphic and structural framework of the subsurface. As an exploration or development Geophysicist, your business will be finding commercially viable oil and gas reserves by using 3D seismic acquisition, processing, and interpretation techniques. Your advanced geological models of the subsurface will drive drilling proposals, optimizing appraisal of hydrocarbon resources. As a production or surveillance geophysicist, your 4D seismic interpretations and geological models will drive drilling proposals and optimize the production and depletion of existing oil and gas accumulations. Up to seven steps in the technical career ladder are possible. Team leader and management candidates are chosen from Shell's technical workforce based on technical and business acumen demonstrated on the job. Projects - Geophysicists work as part of multi-disciplinary teams on projects that typically last from 18 to 36 months. Teams are responsible for projects that may vary from \\$1 million to hundreds of millions in scope. Accountability and responsibility varies according to individual experience level and team structure. Lifestyle - Geophysicists are mainly office-based, with business travel requirements rarely exceeding 2 weeks per event. In the U.S., Shell allows flexible daily office hours, and employees may choose an optional 9-hour work schedule that provides alternate Fridays off. Company pension and benefit programs are competitive with the best that industry has to offer. Degree requirements: Shell recruits Geophysicists for the global staff pool from approximately 20 universities in the U.S. Universities are chosen based on the curriculum of the school, the size of the student enrollment, and the regional location of the school. Geophysicists generally must have at least an MS degree to qualify for Shell employment. Electrical Engineers and Physicists who are recruited as seismic processors are required to have at least a BS degree. Recruiting targets vary annually based on company need.

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

USGS Publications Warehouse

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

2012-01-01

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

Open source integrated modeling environment Delta Shell

NASA Astrophysics Data System (ADS)

Donchyts, G.; Baart, F.; Jagers, B.; van Putten, H.

2012-04-01

In the last decade, integrated modelling has become a very popular topic in environmental modelling since it helps solving problems, which is difficult to model using a single model. However, managing complexity of integrated models and minimizing time required for their setup remains a challenging task. The integrated modelling environment Delta Shell simplifies this task. The software components of Delta Shell are easy to reuse separately from each other as well as a part of integrated environment that can run in a command-line or a graphical user interface mode. The most components of the Delta Shell are developed using C# programming language and include libraries used to define, save and visualize various scientific data structures as well as coupled model configurations. Here we present two examples showing how Delta Shell simplifies process of setting up integrated models from the end user and developer perspectives. The first example shows coupling of a rainfall-runoff, a river flow and a run-time control models. The second example shows how coastal morphological database integrates with the coastal morphological model (XBeach) and a custom nourishment designer. Delta Shell is also available as open-source software released under LGPL license and accessible via http://oss.deltares.nl.

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.

Transverse shear effect in a circumferentially cracked cylindrical shell

NASA Technical Reports Server (NTRS)

Delale, F.; Erdogan, F.

1979-01-01

The objectives of the paper are to solve the problem of a circumferentially-cracked cylindrical shell by taking into account the effect of transverse shear, and to obtain the stress intensity factors for the bending moment as well as the membrane force as the external load. The formulation of the problem is given for a specially orthotropic material within the framework of a linearized shallow shell theory. The particular theory used permits the consideration of all five boundary conditions as to moment and stress resultants on the crack surface. The effect of Poisson's ratio on the stress intensity factors and the nature of the out-of-plane displacement along the edges of the crack, i.e., bulging, are also studied.

Uncertainties in modeling low-energy neutrino-induced reactions on iron-group nuclei

NASA Astrophysics Data System (ADS)

Paar, N.; Suzuki, T.; Honma, M.; Marketin, T.; Vretenar, D.

2011-10-01

Charged-current neutrino-nucleus cross sections for 54,56Fe and 58,60Ni are calculated and compared using frameworks based on relativistic and Skyrme energy-density functionals and on the shell model. The current theoretical uncertainties in modeling neutrino-nucleus cross sections are assessed in relation to the predicted Gamow-Teller transition strength and available data, to multipole decomposition of the cross sections, and to cross sections averaged over the Michel flux and Fermi-Dirac distribution. By employing different microscopic approaches and models, the decay-at-rest (DAR) neutrino-56Fe cross section and its theoretical uncertainty are estimated to be <σ>th=(258±57)×10-42cm2, in very good agreement with the experimental value <σ>exp=(256±108±43)×10-42cm2.

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.

High-resolution elemental records of Glycymeris glycymeris (Bivalvia) shells from the Iberian upwelling system: Ontogeny and environmental control

NASA Astrophysics Data System (ADS)

Freitas, Pedro; Richardson, Christopher; Chenery, Simon; Butler, Paul; Reynolds, David; Gaspar, Miguel; Scourse, James

2015-04-01

The great potential of bivalve shells as a high-resolution geochemical proxy archive of environmental conditions at the time of growth has been known for several decades. The elemental composition of bivalve shells has been studied with the purpose of reconstructing environmental conditions: e.g. seawater temperature (Sr and Mg), primary productivity (Li, Mn, Mo and Ba), redox conditions (Mn and Mo), terrigenous inputs (Li) and pollution (Cu, Zn, Cd and Pb). However, the interpretation of such records remains extremely challenging and complex, with processes affecting element incorporation in the shell (e.g. crystal fabrics, organic matrix, shell formation mechanisms and physiological processes) and the influence of more than one environmental parameter affecting elemental composition of bivalve shells. Nevertheless, bivalve shells remain an underused source of information on environmental conditions, with the potential to record high-resolution (sub-weekly to annually), multi-centennial time series of geochemical proxy data. The relatively long-lived bivalve (>100 years) Glycymeris glycymeris occurs in coastal shelf seas of Europe and North West Africa and is a valid annually resolved sclerochronological archive for palaeonvironmental reconstructions. The temporal framework provided by absolute annually dated shell material makes Glycymeris glycymeris a valuable, albeit unexplored, resource for investigating sub-annually resolved geochemical proxies. We present a first evaluation on the potential of Ba, P and U, the latter two elements rarely studied in bivalves, in Glycymeris glycymeris shells to record variations in the environmental conditions, respectively primary productivity, dissolved inorganic phosphorus and carbonate ion concentration/pH. High-resolution (31 to 77 samples per year) profiles of elemental/Ca ratios (E/Ca) over four years of growth (2001 to 2004) were obtained by LA-ICP-MS on two shells (13 and 16 years old) live-collected in 2010 at 30 m water depth on the Iberia upwelling system. In both shells, clear E/Ca annual cycles with significant higher-frequency variability (weekly to sub-monthly) were observed over the four years of growth analysed. However, E/Ca ratios and the amplitude of the annual E/Ca cycles were lower in the older shell and showed decreasing trends with age (ontogenetic effects). E/Ca ratios were age-detrended using statistical techniques derived from dendrochronology, resulting in similar and coherent profiles in both shells. It seems unlikely that enough variability in E/Ca ratios will be recorded in the shell after 15 to 20 years of age to allow the retrieval of an environmental signal by age-detrending E/Ca ratios. Detrended P/Ca, Ba/Ca and U/Ca in Glycymeris glycymeris shells showed coherent variations with coeval modelled and instrumental oceanographic series from the Iberia upwelling system that suggest a robust potential as an archive of environmental conditions in the first 15 to 20 years of growth. Nevertheless a robust calibration is required to distinguish between the influences of multiple environmental parameters. This study was financed and conducted in the frame of the Portuguese FCT GLYCY Project (contract PTDC/AAC-CLI/118003/2010).

Glass shell manufacturing in space

NASA Technical Reports Server (NTRS)

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

1981-01-01

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

Isothermal Circumstellar Dust Shell Model for Teaching

ERIC Educational Resources Information Center

Robinson, G.; Towers, I. N.; Jovanoski, Z.

2009-01-01

We introduce a model of radiative transfer in circumstellar dust shells. By assuming that the shell is both isothermal and its thickness is small compared to its radius, the model is simple enough for students to grasp and yet still provides a quantitative description of the relevant physical features. The isothermal model can be used in a…

Geodynamic Modeling of Planetary Ice-Oceans: Evolution of Ice-Shell Thickness in Convecting Two-Phase Systems

NASA Astrophysics Data System (ADS)

Allu Peddinti, D.; McNamara, A. K.

2016-12-01

Along with the newly unveiled icy surface of Pluto, several icy planetary bodies show indications of an active surface perhaps underlain by liquid oceans of some size. This augments the interest to explore the evolution of an ice-ocean system and its surface implications. The geologically young surface of the Jovian moon Europa lends much speculation to variations in ice-shell thickness over time. Along with the observed surface features, it suggests the possibility of episodic convection and conduction within the ice-shell as it evolved. What factors would control the growth of the ice-shell as it forms? If and how would those factors determine the thickness of the ice-shell and consequently the heat transfer? Would parameters such as tidal heating or initial temperature affect how the ice-shell grows and to what significance? We perform numerical experiments using geodynamical models of the two-phase ice-water system to study the evolution of planetary ice-oceans such as that of Europa. The models evolve self-consistently from an initial liquid ocean as it cools with time. The effects of presence, absence and magnitude of tidal heating on ice-shell thickness are studied in different models. The vigor of convection changes as the ice-shell continues to thicken. Initial modeling results track changes in the growth rate of the ice-shell as the vigor of the convection changes. The magnitude and temporal location of the rate change varies with different properties of tidal heating and values of initial temperature. A comparative study of models is presented to demonstrate how as the ice-shell is forming, its growth rate and convection are affected by processes such as tidal heating.

Electric and Magnetic Dipole Strength at Low Energy

NASA Astrophysics Data System (ADS)

Sieja, K.

2017-08-01

A low-energy enhancement of radiative strength functions was deduced from recent experiments in several mass regions of nuclei, which is believed to impact considerably the calculated neutron capture rates. In this Letter we investigate the behavior of the low-energy γ -ray strength of the Sc 44 isotope, for the first time taking into account both electric and magnetic dipole contributions obtained coherently in the same theoretical approach. The calculations are performed using the large-scale shell-model framework in a full 1 ℏω s d -p f -g d s model space. Our results corroborate previous theoretical findings for the low-energy enhancement of the M 1 strength but show quite different behavior for the E 1 strength.

Finite Rotation Analysis of Highly Thin and Flexible Structures

NASA Technical Reports Server (NTRS)

Clarke, Greg V.; Lee, Keejoo; Lee, Sung W.; Broduer, Stephen J. (Technical Monitor)

2001-01-01

Deployable space structures such as sunshields and solar sails are extremely thin and highly flexible with limited bending rigidity. For analytical investigation of their responses during deployment and operation in space, these structures can be modeled as thin shells. The present work examines the applicability of the solid shell element formulation to modeling of deployable space structures. The solid shell element formulation that models a shell as a three-dimensional solid is convenient in that no rotational parameters are needed for the description of kinematics of deformation. However, shell elements may suffer from element locking as the thickness becomes smaller unless special care is taken. It is shown that, when combined with the assumed strain formulation, the solid shell element formulation results in finite element models that are free of locking even for extremely thin structures. Accordingly, they can be used for analysis of highly flexible space structures undergoing geometrically nonlinear finite rotations.

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

PubMed

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

2009-02-01

A general theoretical approach to the development of zero-thickness encapsulation models for contrast microbubbles is proposed. The approach describes a procedure that allows one to recast available rheological laws from the bulk form to a surface form which is used in a modified Rayleigh-Plesset equation governing the radial dynamics of a contrast microbubble. By the use of the proposed procedure, the testing of different rheological laws for encapsulation can be carried out. Challenges of existing shell models for lipid-encapsulated microbubbles, such as the dependence of shell parameters on the initial bubble radius and the "compression-only" behavior, are discussed. Analysis of the rheological behavior of lipid encapsulation is made by using experimental radius-time curves for lipid-coated microbubbles with radii in the range 1.2-2.5 microm. The curves were acquired for a research phospholipid-coated contrast agent insonified with a 20 cycle, 3.0 MHz, 100 kPa acoustic pulse. The fitting of the experimental data by a model which treats the shell as a viscoelastic solid gives the values of the shell surface viscosity increasing from 0.30 x 10(-8) kg/s to 2.63 x 10(-8) kg/s for the range of bubble radii, indicated above. The shell surface elastic modulus increases from 0.054 N/m to 0.37 N/m. It is proposed that this increase may be a result of the lipid coating possessing the properties of both a shear-thinning and a strain-softening material. We hypothesize that these complicated rheological properties do not allow the existing shell models to satisfactorily describe the dynamics of lipid encapsulation. In the existing shell models, the viscous and the elastic shell terms have the linear form which assumes that the viscous and the elastic stresses acting inside the lipid shell are proportional to the shell shear rate and the shell strain, respectively, with constant coefficients of proportionality. The analysis performed in the present paper suggests that a more general, nonlinear theory may be more appropriate. It is shown that the use of the nonlinear theory for shell viscosity allows one to model the "compression-only" behavior. As an example, the results of the simulation for a 2.03 microm radius bubble insonified with a 6 cycle, 1.8 MHz, 100 kPa acoustic pulse are given. These parameters correspond to the acoustic conditions under which the "compression-only" behavior was observed by de Jong et al. [Ultrasound Med. Biol. 33 (2007) 653-656]. It is also shown that the use of the Cross law for the modeling of the shear-thinning behavior of shell viscosity reduces the variance of experimentally estimated values of the shell viscosity and its dependence on the initial bubble radius.

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

Greve, L., E-mail: lars.greve@volkswagen.de; Medricky, M., E-mail: miloslav.medricky@volkswagen.de; Andres, M., E-mail: miloslav.medricky@volkswagen.de

A comprehensive strain hardening and fracture characterization of different grades of boron steel blanks has been performed, providing the foundation for the implementation into the modular material model (MMM) framework developed by Volkswagen Group Research for an explicit crash code. Due to the introduction of hardness-based interpolation rules for the characterized main grades, the hardening and fracture behavior is solely described by the underlying Vickers hardness. In other words, knowledge of the hardness distribution within a hot-formed component is enough to set up the newly developed computational model. The hardness distribution can be easily introduced via an experimentally measured hardnessmore » curve or via hardness mapping from a corresponding hot-forming simulation. For industrial application using rather coarse and computationally inexpensive shell element meshes, the user material model has been extended by a necking/post-necking model with reduced mesh-dependency as an additional failure mode. The present paper mainly addresses the necking/post-necking model.« less

SPY: A new scission point model based on microscopic ingredients to predict fission fragments properties

NASA Astrophysics Data System (ADS)

Lemaître, J.-F.; Dubray, N.; Hilaire, S.; Panebianco, S.; Sida, J.-L.

2013-12-01

Our purpose is to determine fission fragments characteristics in a framework of a scission point model named SPY for Scission Point Yields. This approach can be considered as a theoretical laboratory to study fission mechanism since it gives access to the correlation between the fragments properties and their nuclear structure, such as shell correction, pairing, collective degrees of freedom, odd-even effects. Which ones are dominant in final state? What is the impact of compound nucleus structure? The SPY model consists in a statistical description of the fission process at the scission point where fragments are completely formed and well separated with fixed properties. The most important property of the model relies on the nuclear structure of the fragments which is derived from full quantum microscopic calculations. This approach allows computing the fission final state of extremely exotic nuclei which are inaccessible by most of the fission model available on the market.

Benchmark Intelligent Agent Systems for Distributed Battle Tracking

DTIC Science & Technology

2008-06-20

services in the military and other domains, each entity in the benchmark system exposes a standard set of Web services. Jess ( Java Expert Shell...System) is a rule engine for the Java platform and is an interpreter for the Jess rule language. It is used here to implement policies that maintain...battle tracking system (DBTS), maintaining distributed situation awareness. The Java Agent DEvelopment (JADE) framework is a software framework

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.

Verification of Orthogrid Finite Element Modeling Techniques

NASA Technical Reports Server (NTRS)

Steeve, B. E.

1996-01-01

The stress analysis of orthogrid structures, specifically with I-beam sections, is regularly performed using finite elements. Various modeling techniques are often used to simplify the modeling process but still adequately capture the actual hardware behavior. The accuracy of such 'Oshort cutso' is sometimes in question. This report compares three modeling techniques to actual test results from a loaded orthogrid panel. The finite element models include a beam, shell, and mixed beam and shell element model. Results show that the shell element model performs the best, but that the simpler beam and beam and shell element models provide reasonable to conservative results for a stress analysis. When deflection and stiffness is critical, it is important to capture the effect of the orthogrid nodes in the model.

Network Visualization Project (NVP)

DTIC Science & Technology

2016-07-01

network visualization, network traffic analysis, network forensics 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT UU 18. NUMBER OF...shell, is a command-line framework used for network forensic analysis. Dshell processes existing pcap files and filters output information based on

Computationally Guided Design of Polymer Electrolytes for Battery Applications

NASA Astrophysics Data System (ADS)

Wang, Zhen-Gang; Webb, Michael; Savoie, Brett; Miller, Thomas

We develop an efficient computational framework for guiding the design of polymer electrolytes for Li battery applications. Short-times molecular dynamics (MD) simulations are employed to identify key structural and dynamic features in the solvation and motion of Li ions, such as the structure of the solvation shells, the spatial distribution of solvation sites, and the polymer segmental mobility. Comparative studies on six polyester-based polymers and polyethylene oxide (PEO) yield good agreement with experimental data on the ion conductivities, and reveal significant differences in the ion diffusion mechanism between PEO and the polyesters. The molecular insights from the MD simulations are used to build a chemically specific coarse-grained model in the spirit of the dynamic bond percolation model of Druger, Ratner and Nitzan. We apply this coarse-grained model to characterize Li ion diffusion in several existing and yet-to-be synthesized polyethers that differ by oxygen content and backbone stiffness. Good agreement is obtained between the predictions of the coarse-grained model and long-timescale atomistic MD simulations, thus providing validation of the model. Our study predicts higher Li ion diffusivity in poly(trimethylene oxide-alt-ethylene oxide) than in PEO. These results demonstrate the potential of this computational framework for rapid screening of new polymer electrolytes based on ion diffusivity.

Design of a Modular Monolithic Implicit Solver for Multi-Physics Applications

NASA Technical Reports Server (NTRS)

Carton De Wiart, Corentin; Diosady, Laslo T.; Garai, Anirban; Burgess, Nicholas; Blonigan, Patrick; Ekelschot, Dirk; Murman, Scott M.

2018-01-01

The design of a modular multi-physics high-order space-time finite-element framework is presented together with its extension to allow monolithic coupling of different physics. One of the main objectives of the framework is to perform efficient high- fidelity simulations of capsule/parachute systems. This problem requires simulating multiple physics including, but not limited to, the compressible Navier-Stokes equations, the dynamics of a moving body with mesh deformations and adaptation, the linear shell equations, non-re effective boundary conditions and wall modeling. The solver is based on high-order space-time - finite element methods. Continuous, discontinuous and C1-discontinuous Galerkin methods are implemented, allowing one to discretize various physical models. Tangent and adjoint sensitivity analysis are also targeted in order to conduct gradient-based optimization, error estimation, mesh adaptation, and flow control, adding another layer of complexity to the framework. The decisions made to tackle these challenges are presented. The discussion focuses first on the "single-physics" solver and later on its extension to the monolithic coupling of different physics. The implementation of different physics modules, relevant to the capsule/parachute system, are also presented. Finally, examples of coupled computations are presented, paving the way to the simulation of the full capsule/parachute system.

Analysis of Composite Skin-Stiffener Debond Specimens Using a Shell/3D Modeling Technique and Submodeling

NASA Technical Reports Server (NTRS)

OBrien, T. Kevin (Technical Monitor); Krueger, Ronald; Minguet, Pierre J.

2004-01-01

The application of a shell/3D modeling technique for the simulation of skin/stringer debond in a specimen subjected to tension and three-point bending was studied. The global structure was modeled with shell elements. A local three-dimensional model, extending to about three specimen thicknesses on either side of the delamination front was used to model the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from shell/3D simulations were in good agreement with results obtained from full solid models. The good correlation of the results demonstrated the effectiveness of the shell/3D modeling technique for the investigation of skin/stiffener separation due to delamination in the adherents. In addition, the application of the submodeling technique for the simulation of skin/stringer debond was also studied. Global models made of shell elements and solid elements were studied. Solid elements were used for local submodels, which extended between three and six specimen thicknesses on either side of the delamination front to model the details of the damaged section. Computed total strain energy release rates and mixed-mode ratios obtained from the simulations using the submodeling technique were not in agreement with results obtained from full solid models.

Optical properties of light absorbing carbon aggregates mixed with sulfate: assessment of different model geometries for climate forcing calculations.

PubMed

Kahnert, Michael; Nousiainen, Timo; Lindqvist, Hannakaisa; Ebert, Martin

2012-04-23

Light scattering by light absorbing carbon (LAC) aggregates encapsulated into sulfate shells is computed by use of the discrete dipole method. Computations are performed for a UV, visible, and IR wavelength, different particle sizes, and volume fractions. Reference computations are compared to three classes of simplified model particles that have been proposed for climate modeling purposes. Neither model matches the reference results sufficiently well. Remarkably, more realistic core-shell geometries fall behind homogeneous mixture models. An extended model based on a core-shell-shell geometry is proposed and tested. Good agreement is found for total optical cross sections and the asymmetry parameter. © 2012 Optical Society of America

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.

Symplectic no-core shell-model approach to intermediate-mass nuclei

NASA Astrophysics Data System (ADS)

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

2014-03-01

We present a microscopic description of nuclei in the intermediate-mass region, including the proximity to the proton drip line, based on a no-core shell model with a schematic many-nucleon long-range interaction with no parameter adjustments. The outcome confirms the essential role played by the symplectic symmetry to inform the interaction and the winnowing of shell-model spaces. We show that it is imperative that model spaces be expanded well beyond the current limits up through 15 major shells to accommodate particle excitations, which appear critical to highly deformed spatial structures and the convergence of associated observables.

Monte Carlo simulations of nematic and chiral nematic shells

NASA Astrophysics Data System (ADS)

Wand, Charlie R.; Bates, Martin A.

2015-01-01

We present a systematic Monte Carlo simulation study of thin nematic and cholesteric shells with planar anchoring using an off-lattice model. The results obtained using the simple model correspond with previously published results for lattice-based systems, with the number, type, and position of defects observed dependent on the shell thickness with four half-strength defects in a tetrahedral arrangement found in very thin shells and a pair of defects in a bipolar (boojum) configuration observed in thicker shells. A third intermediate defect configuration is occasionally observed for intermediate thickness shells, which is stabilized in noncentrosymmetric shells of nonuniform thickness. Chiral nematic (cholesteric) shells are investigated by including a chiral term in the potential. Decreasing the pitch of the chiral nematic leads to a twisted bipolar (chiral boojum) configuration with the director twist increasing from the inner to the outer surface.

Deriving the nuclear shell model from first principles

NASA Astrophysics Data System (ADS)

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

2014-09-01

The results of an 18-nucleon No Core Shell Model calculation, performed in a large basis space using a bare, soft NN interaction, can be projected into the 0 ℏω space, i.e., the sd -shell. Because the 16 nucleons in the 16O core are frozen in the 0 ℏω space, all the correlations of the 18-nucleon system are captured by the two valence, sd -shell nucleons. By the projection, we obtain microscopically the sd -shell 2-body effective interactions, the core energy and the sd -shell s.p. energies. Thus, the input for standard shell-model calculations can be determined microscopically by this approach. If the same procedure is then applied to 19-nucleon systems, the sd -shell 3-body effective interactions can also be obtained, indicating the importance of these 3-body effective interactions relative to the 2-body effective interactions. Applications to A = 19 and heavier nuclei with different intrinsic NN interactions will be presented and discussed. The results of an 18-nucleon No Core Shell Model calculation, performed in a large basis space using a bare, soft NN interaction, can be projected into the 0 ℏω space, i.e., the sd -shell. Because the 16 nucleons in the 16O core are frozen in the 0 ℏω space, all the correlations of the 18-nucleon system are captured by the two valence, sd -shell nucleons. By the projection, we obtain microscopically the sd -shell 2-body effective interactions, the core energy and the sd -shell s.p. energies. Thus, the input for standard shell-model calculations can be determined microscopically by this approach. If the same procedure is then applied to 19-nucleon systems, the sd -shell 3-body effective interactions can also be obtained, indicating the importance of these 3-body effective interactions relative to the 2-body effective interactions. Applications to A = 19 and heavier nuclei with different intrinsic NN interactions will be presented and discussed. Supported by the US NSF under Grant No. 0854912, the US DOE under Grants Nos. DESC0008485 and DE-FG02-87ER40371, the Higher Education Council of Turkey(YOK), and the Ministry of Education and Science of Russian Fed. under contracts P521 and 14.v37.21.1297.

Thin Shell Model for NIF capsule stagnation studies

NASA Astrophysics Data System (ADS)

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

2015-11-01

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

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

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

Moraes, Manoel; Diaz, Marcos

2009-12-15

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

Mathematics and morphogenesis of cities: A geometrical approach

NASA Astrophysics Data System (ADS)

Courtat, Thomas; Gloaguen, Catherine; Douady, Stephane

2011-03-01

Cities are living organisms. They are out of equilibrium, open systems that never stop developing and sometimes die. The local geography can be compared to a shell constraining its development. In brief, a city’s current layout is a step in a running morphogenesis process. Thus cities display a huge diversity of shapes and none of the traditional models, from random graphs, complex networks theory, or stochastic geometry, takes into account the geometrical, functional, and dynamical aspects of a city in the same framework. We present here a global mathematical model dedicated to cities that permits describing, manipulating, and explaining cities’ overall shape and layout of their street systems. This street-based framework conciliates the topological and geometrical sides of the problem. From the static analysis of several French towns (topology of first and second order, anisotropy, streets scaling) we make the hypothesis that the development of a city follows a logic of division or extension of space. We propose a dynamical model that mimics this logic and that, from simple general rules and a few parameters, succeeds in generating a large diversity of cities and in reproducing the general features the static analysis has pointed out.

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.

Gravastars in f (R ,T ) gravity

NASA Astrophysics Data System (ADS)

Das, Amit; Ghosh, Shounak; Guha, B. K.; Das, Swapan; Rahaman, Farook; Ray, Saibal

2017-06-01

We propose a unique stellar model under the f (R ,T ) gravity by using the conjecture of Mazur-Mottola [P. Mazur and E. Mottola, Report No. LA-UR-01-5067, P. Mazur and E. Mottola, Proc. Natl. Acad. Sci. USA 101, 9545 (2004), 10.1073/pnas.0402717101] which is known as gravastar and a viable alternative to the black hole as available in literature. This gravastar is described by the three different regions, viz., (I) Interior core region, (II) Intermediate thin shell, and (III) Exterior spherical region. The pressure within the interior region is equal to the constant negative matter density which provides a repulsive force over the thin spherical shell. This thin shell is assumed to be formed by a fluid of ultrarelativistic plasma and the pressure, which is directly proportional to the matter-energy density according to Zel'dovich's conjecture of stiff fluid [Y. B. Zel'dovich, Mon. Not. R. Astron. Soc. 160, 1 (1972), 10.1093/mnras/160.1.1P], does counterbalance the repulsive force exerted by the interior core region. The exterior spherical region is completely vacuum and assumed to be de Sitter spacetime which can be described by the Schwarzschild solution. Under this specification we find out a set of exact and singularity-free solution of the gravastar which presents several other physically valid features within the framework of alternative gravity.

Ab initio calculation of one-nucleon halo states

NASA Astrophysics Data System (ADS)

Rodkin, D. M.; Tchuvil'sky, Yu M.

2018-02-01

We develop an approach to microscopic and ab initio description of clustered systems, states with halo nucleon and one-nucleon resonances. For these purposes a basis combining ordinary shell-model components and cluster-channel terms is built up. The transformation of clustered wave functions to the uniform Slater-determinant type is performed using the concept of cluster coefficients. The resulting basis of orthonormalized wave functions is used for calculating the eigenvalues and the eigenvectors of Hamiltonians built in the framework of ab initio approaches. Calculations of resonance and halo states of 5He, 9Be and 9B nuclei demonstrate that the approach is workable and labor-saving.

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

PubMed Central

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

2009-01-01

A general theoretical approach to the development of zero-thickness encapsulation models for contrast microbubbles is proposed. The approach describes a procedure that allows one to recast available rheological laws from the bulk form to a surface form which is used in a modified Rayleigh-Plesset equation governing the radial dynamics of a contrast microbubble. By the use of the proposed procedure, the testing of different rheological laws for encapsulation can be carried out. Challenges of existing shell models for lipid-encapsulated microbubbles, such as the dependence of shell parameters on the initial bubble radius and the “compression-only” behavior, are discussed. Analysis of the rheological behavior of lipid encapsulation is made by using experimental radius-time curves for lipid-coated microbubbles with radii in the range 1.2 – 2.5 μm. The curves were acquired for a research phospholipid-coated contrast agent insonified with a 20-cycle, 3.0 MHz, 100 kPa acoustic pulse. The fitting of the experimental data by a model which treats the shell as a viscoelastic solid gives the values of the shell surface viscosity increasing from 0.30×10-8 kg/s to 2.63×10-8 kg/s for the range of bubble radii indicated above. The shell surface elastic modulus increases from 0.054 N/m to 0.37 N/m. It is proposed that this increase may be a result of the lipid coating possessing the properties of both a shear-thinning and a strain-softening material. We hypothesize that these complicated rheological properties do not allow the existing shell models to satisfactorily describe the dynamics of lipid encapsulation. In the existing shell models, the viscous and the elastic shell terms have the linear form which assumes that the viscous and the elastic stresses acting inside the lipid shell are proportional to the shell shear rate and the shell strain, respectively, with constant coefficients of proportionality. The analysis performed in the present paper suggests that a more general, nonlinear theory may be more appropriate. It is shown that the use of the nonlinear theory for shell viscosity allows one to model the “compression-only” behavior. As an example, the results of the simulation for a 2.03- μm-radius bubble insonified with a 6-cycle, 1.8 MHz, 100 kPa acoustic pulse are given. These parameters correspond to the acoustic conditions under which the “compression-only” behavior was observed by de Jong et al. [Ultrasound Med. Biol. 33 (2007) 653–656]. It is also shown that the use of the Cross law for the modeling of the shear-thinning behavior of shell viscosity reduces the variance of experimentally estimated values of the shell viscosity and its dependence on the initial bubble radius. PMID:18990417

A compact circumstellar shell as the source of high-velocity features in SN 2011fe

NASA Astrophysics Data System (ADS)

Mulligan, Brian W.; Wheeler, J. Craig

2018-05-01

High-velocity features (HVFs), especially of Ca II, are frequently seen in Type Ia supernova observed prior to B-band maximum (Bmax). These HVFs evolve in velocity from more than 25 000 km s-1, in the days after first light, to about 18 000 km s-1 near Bmax. To recreate the evolution of the Ca II near-infrared triplet (CaNIR) HVFs in SN 2011fe, we consider the interaction between a model Type Ia supernova and compact circumstellar shells with masses between 0.003 and 0.012 M⊙. We fit the observed CaNIR feature using synthetic spectra generated from the models using SYN++. The CaNIR feature is better explained by the supernova model interacting with a shell than the model without a shell, with a shell of mass 0.005 M⊙ tending to be better fitting than the other shells. The evolution of the optical depth of CaNIR suggests that the ionization state of calcium within the ejecta and shell is not constant. We discuss the method used to measure the observed velocity of CaNIR and other features and conclude that HVFs or other components can be falsely identified. We briefly discuss the possible origin of the shells and the implications for the progenitor system of the supernova.

Inner-shell radiation from wire array implosions on the Zebra generator

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

Ouart, N. D.; Giuliani, J. L.; Dasgupta, A.

2014-03-15

Implosions of brass wire arrays on Zebra have produced L-shell radiation as well as inner-shell Kα and Kβ transitions. The L-shell radiation comes from ionization stages around the Ne-like charge state that is largely populated by a thermal electron energy distribution function, while the K-shell photons are a result of high-energy electrons ionizing or exciting an inner-shell (1s) electron from ionization stages around Ne-like. The K- and L-shell radiations were captured using two time-gated and two axially resolved time-integrated spectrometers. The electron beam was measured using a Faraday cup. A multi-zone non-local thermodynamic equilibrium pinch model with radiation transport ismore » used to model the x-ray emission from experiments for the purpose of obtaining plasma conditions. These plasma conditions are used to discuss some properties of the electron beam generated by runaway electrons. A simple model for runaway electrons is examined to produce the Kα radiation, but it is found to be insufficient.« less

Coarse-grained mechanics of viral shells

NASA Astrophysics Data System (ADS)

Klug, William S.; Gibbons, Melissa M.

2008-03-01

We present an approach for creating three-dimensional finite element models of viral capsids from atomic-level structural data (X-ray or cryo-EM). The models capture heterogeneous geometric features and are used in conjunction with three-dimensional nonlinear continuum elasticity to simulate nanoindentation experiments as performed using atomic force microscopy. The method is extremely flexible; able to capture varying levels of detail in the three-dimensional structure. Nanoindentation simulations are presented for several viruses: Hepatitis B, CCMV, HK97, and φ29. In addition to purely continuum elastic models a multiscale technique is developed that combines finite-element kinematics with MD energetics such that large-scale deformations are facilitated by a reduction in degrees of freedom. Simulations of these capsid deformation experiments provide a testing ground for the techniques, as well as insight into the strength-determining mechanisms of capsid deformation. These methods can be extended as a framework for modeling other proteins and macromolecular structures in cell biology.

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.

MIL-100 derived nitrogen-embodied carbon shells embedded with iron nanoparticles

NASA Astrophysics Data System (ADS)

Mao, Chengyu; Kong, Aiguo; Wang, Yuan; Bu, Xianhui; Feng, Pingyun

2015-06-01

The use of metal-organic frameworks (MOFs) as templates and precursors to synthesize new carbon materials with controllable morphology and pre-selected heteroatom doping holds promise for applications as efficient non-precious metal catalysts. Here, we report a facile pyrolysis pathway to convert MIL-100 into nitrogen-doped carbon shells encapsulating Fe nanoparticles in a comparative study involving multiple selected nitrogen sources. The hierarchical porous architecture, embedded Fe nanoparticles, and nitrogen decoration endow this composite with a superior oxygen reduction activity. Furthermore, the excellent durability and high methanol tolerance even outperform the commercial Pt-C catalyst.The use of metal-organic frameworks (MOFs) as templates and precursors to synthesize new carbon materials with controllable morphology and pre-selected heteroatom doping holds promise for applications as efficient non-precious metal catalysts. Here, we report a facile pyrolysis pathway to convert MIL-100 into nitrogen-doped carbon shells encapsulating Fe nanoparticles in a comparative study involving multiple selected nitrogen sources. The hierarchical porous architecture, embedded Fe nanoparticles, and nitrogen decoration endow this composite with a superior oxygen reduction activity. Furthermore, the excellent durability and high methanol tolerance even outperform the commercial Pt-C catalyst. Electronic supplementary information (ESI) available: Material synthesis and elemental analysis, electrochemistry measurements, and additional figures. See DOI: 10.1039/c5nr02346g

Enhanced photocatalytic performance and degradation pathway of Rhodamine B over hierarchical double-shelled zinc nickel oxide hollow sphere heterojunction

NASA Astrophysics Data System (ADS)

Zhang, Ying; Zhou, Jiabin; Cai, Weiquan; Zhou, Jun; Li, Zhen

2018-02-01

In this study, hierarchical double-shelled NiO/ZnO hollow spheres heterojunction were prepared by calcination of the metallic organic frameworks (MOFs) as a sacrificial template in air via a one-step solvothermal method. Additionally, the photocatalytic activity of the as-prepared samples for the degradation of Rhodamine B (RhB) under UV-vis light irradiation were also investigated. NiO/ZnO microsphere comprised a core and a shell with unique hierarchically porous structure. The photocatalytic results showed that NiO/ZnO hollow spheres exhibited excellent catalytic activity for RhB degradation, causing complete decomposition of RhB (200 mL of 10 g/L) under UV-vis light irradiation within 3 h. Furthermore, the degradation pathway was proposed on the basis of the intermediates during the photodegradation process using liquid chromatography analysis coupled with mass spectroscopy (LC-MS). The improvement in photocatalytic performance could be attributed to the p-n heterojunction in the NiO/ZnO hollow spheres with hierarchically porous structure and the strong double-shell binding interaction, which enhances adsorption of the dye molecules on the catalyst surface and facilitates the electron/hole transfer within the framework. The degradation mechanism of pollutant is ascribed to the hydroxyl radicals (rad OH), which is the main oxidative species for the photocatalytic degradation of RhB. This work provides a facile and effective approach for the fabrication of porous metal oxides heterojunction with high photocatalytic activity and thus can be potentially used in the environmental purification.

A Theoretical Investigation of Composite Overwrapped Pressure Vessel (COPV) Mechanics Applied to NASA Full Scale Tests

NASA Technical Reports Server (NTRS)

Greene, N.; Thesken, J. C.; Murthy, P. L. N.; Phoenix, S. L.; Palko, J.; Eldridge, J.; Sutter, J.; Saulsberry, R.; Beeson, H.

2006-01-01

A theoretical investigation of the factors controlling the stress rupture life of the National Aeronautics and Space Agency's (NASA) composite overwrapped pressure vessels (COPVs) continues. Kevlar(TradeMark) fiber overwrapped tanks are of particular concern due to their long usage and the poorly understood stress rupture process in Kevlar(TradeMark) filaments. Existing long term data show that the rupture process is a function of stress, temperature and time. However, due to the presence of a load sharing liner, the manufacturing induced residual stresses and the complex mechanical response, the state of actual fiber stress in flight hardware and test articles is not clearly known. This paper is a companion to the experimental investigation reported in [1] and develops a theoretical framework necessary to design full-scale pathfinder experiments and accurately interpret the experimentally observed deformation and failure mechanisms leading up to static burst in COPVs. The fundamental mechanical response of COPVs is described using linear elasticity and thin shell theory and discussed in comparison to existing experimental observations. These comparisons reveal discrepancies between physical data and the current analytical results and suggest that the vessel's residual stress state and the spatial stress distribution as a function of pressure may be completely different from predictions based upon existing linear elastic analyses. The 3D elasticity of transversely isotropic spherical shells demonstrates that an overly compliant transverse stiffness relative to membrane stiffness can account for some of this by shifting a thin shell problem well into the realm of thick shell response. The use of calibration procedures are demonstrated as calibrated thin shell model results and finite element results are shown to be in good agreement with the experimental results. The successes reported here have lead to continuing work with full scale testing of larger NASA COPV hardware.

Updating the Jovian Proton Radiation Environment - 2015

NASA Technical Reports Server (NTRS)

Garrett, Henry; Martinez-Sierra, Luz Maria; Evans, Robin

2015-01-01

Since publication in 1983 by N. Divine and H. Garrett, the Jet Propulsion Laboratory's plasma and radiation models have been the design standard for NASA's missions to Jupiter. These models consist of representations of the cold plasma and electrons, the warm and auroral electrons and protons, and the radiation environment (electron, proton, and heavy ions). To date, however, the high-energy proton model has been limited to an L-shell of 12. With the requirement to compute the effects of the high energy protons and other heavy ions on the proposed Europa mission, the extension of the high energy proton model from approximately 12 L-shell to approximately 50 L-shell has become necessary. In particular, a model of the proton environment over that range is required to estimate radiation effects on the solar arrays for the mission. This study describes both the steps taken to extend the original Divine proton model out to an approximately 50 L-shell and the resulting model developed to accomplish that goal. In addition to hydrogen, the oxygen, sulfur, and helium heavy ion environments have also been added between approximately 6 L-shell and approximately 50 L-shell. Finally, selected examples of the model's predictions are presented to illustrate the uses of the tool.

Java Application Shell: A Framework for Piecing Together Java Applications

NASA Technical Reports Server (NTRS)

Miller, Philip; Powers, Edward I. (Technical Monitor)

2001-01-01

This session describes the architecture of Java Application Shell (JAS), a Swing-based framework for developing interactive Java applications. Java Application Shell is being developed by Commerce One, Inc. for NASA Goddard Space Flight Center Code 588. The purpose of JAS is to provide a framework for the development of Java applications, providing features that enable the development process to be more efficient, consistent and flexible. Fundamentally, JAS is based upon an architecture where an application is considered a collection of 'plugins'. In turn, a plug-in is a collection of Swing actions defined using XML and packaged in a jar file. Plug-ins may be local to the host platform or remotely-accessible through HTTP. Local and remote plugins are automatically discovered by JAS upon application startup; plugins may also be loaded dynamically without having to re-start the application. Using Extensible Markup Language (XML) to define actions, as opposed to hardcoding them in application logic, allows easier customization of application-specific operations by separating application logic from presentation. Through XML, a developer defines an action that may appear on any number of menus, toolbars, and buttons. Actions maintain and propagate enable/disable states and specify icons, tool-tips, titles, etc. Furthermore, JAS allows actions to be implemented using various scripting languages through the use of IBM's Bean Scripting Framework. Scripted action implementation is seamless to the end-user. In addition to action implementation, scripts may be used for application and unit-level testing. In the case of application-level testing, JAS has hooks to assist a script in simulating end-user input. JAS also provides property and user preference management, JavaHelp, Undo/Redo, Multi-Document Interface, Single-Document Interface, printing, and logging. Finally, Jini technology has also been included into the framework by means of a Jini services browser and the ability to associate services with actions. Several Java technologies have been incorporated into JAS, including Swing, Internal Frames, Java Beans, XML, JavaScript, JavaHelp, and Jini. Additional information is contained in the original extended abstract.

Dual-Channel, Molecular-Sieving Core/Shell ZIF@MOF Architectures as Engineered Fillers in Hybrid Membranes for Highly Selective CO2 Separation.

PubMed

Song, Zhuonan; Qiu, Fen; Zaia, Edmond W; Wang, Zhongying; Kunz, Martin; Guo, Jinghua; Brady, Michael; Mi, Baoxia; Urban, Jeffrey J

2017-11-08

A novel core/shell porous crystalline structure was prepared using a large pore metal organic framework (MOF, UiO-66-NH 2 , pore size, ∼ 0.6 nm) as core surrounded by a small pore zeolitic imidazolate framework (ZIF, ZIF-8, pore size, ∼ 0.4 nm) through a layer-by-layer deposition method and subsequently used as an engineered filler to construct hybrid polysulfone (PSF) membranes for CO 2 capture. Compared to traditional fillers utilizing only one type of porous material with rigid channels (either large or small), our custom designed core/shell fillers possess clear advantages via pore engineering: the large internal channels of the UiO-66-NH 2 MOFs create molecular highways to accelerate molecular transport through the membrane, while the thin shells with small pores (ZIF-8) or even smaller pores generated at the interface by the imperfect registry between the overlapping pores of ZIF and MOF enhance molecular sieving thus serving to distinguish slightly larger N 2 molecules (kinetic diameter, 0.364 nm) from smaller CO 2 molecules (kinetic diameter, 0.33 nm). The resultant core/shell ZIF@MOF and as-prepared hybrid PSF membranes were characterized by transmission electron microscopy, X-ray diffraction, wide-angle X-ray scattering, scanning electron microscopy, Fourier transform infrared, thermogravimetric analysis, differential scanning calorimetry, and contact angle tests. The dependence of the separation performance of the membranes on the MOF/ZIF ratio was also studied by varying the number of layers of ZIF coatings. The integrated PSF-ZIF@MOF hybrid membrane (40 wt % loading) with optimized ZIF coating cycles showed improved hydrophobicity and excellent CO 2 separation performance by simultaneously increasing CO 2 permeability (CO 2 permeability of 45.2 barrer, 710% higher than PSF membrane) and CO 2 /N 2 selectivity (CO 2 /N 2 selectivity of 39, 50% higher than PSF membrane), which is superior to most reported hybrid PSF membranes. The strategy of using dual-channel molecular sieving core/shell porous crystals in hybrid membranes thus provides a promising means for CO 2 capture from flue gas.

Effects of Combined Loads on the Nonlinear Response and Residual Strength of Damaged Stiffened Shells

NASA Technical Reports Server (NTRS)

Starnes, James H., Jr.; Rose, Cheryl A.; Rankin, Charles C.

1996-01-01

The results of an analytical study of the nonlinear response of stiffened fuselage shells with long cracks are presented. The shells are modeled with a hierarchical modeling strategy and analyzed with a nonlinear shell analysis code that maintains the shell in a nonlinear equilibrium state while the crack is grown. The analysis accurately accounts for global and local structural response phenomena. Results are presented for various combinations of internal pressure and mechanical loads, and the effects of crack orientation on the shell response are described. The effects of combined loading conditions and the effects of varying structural parameters on the stress-intensity factors associated with a crack are presented.

The Vibration Analysis of Tube Bundles Induced by Fluid Elastic Excitation in Shell Side of Heat Exchanger

NASA Astrophysics Data System (ADS)

Bao, Minle; Wang, Lu; Li, Wenyao; Gao, Tianze

2017-09-01

Fluid elastic excitation in shell side of heat exchanger was deduced theoretically in this paper. Model foundation was completed by using Pro / Engineer software. The finite element model was constructed and imported into the FLUENT module. The flow field simulation adopted the dynamic mesh model, RNG k-ε model and no-slip boundary conditions. Analysing different positions vibration of tube bundles by selecting three regions in shell side of heat exchanger. The results show that heat exchanger tube bundles at the inlet of the shell side are more likely to be failure due to fluid induced vibration.

An Efficient Analysis Methodology for Fluted-Core Composite Structures

NASA Technical Reports Server (NTRS)

Oremont, Leonard; Schultz, Marc R.

2012-01-01

The primary loading condition in launch-vehicle barrel sections is axial compression, and it is therefore important to understand the compression behavior of any structures, structural concepts, and materials considered in launch-vehicle designs. This understanding will necessarily come from a combination of test and analysis. However, certain potentially beneficial structures and structural concepts do not lend themselves to commonly used simplified analysis methods, and therefore innovative analysis methodologies must be developed if these structures and structural concepts are to be considered. This paper discusses such an analysis technique for the fluted-core sandwich composite structural concept. The presented technique is based on commercially available finite-element codes, and uses shell elements to capture behavior that would normally require solid elements to capture the detailed mechanical response of the structure. The shell thicknesses and offsets using this analysis technique are parameterized, and the parameters are adjusted through a heuristic procedure until this model matches the mechanical behavior of a more detailed shell-and-solid model. Additionally, the detailed shell-and-solid model can be strategically placed in a larger, global shell-only model to capture important local behavior. Comparisons between shell-only models, experiments, and more detailed shell-and-solid models show excellent agreement. The discussed analysis methodology, though only discussed in the context of fluted-core composites, is widely applicable to other concepts.

Presence of glassy state and large exchange bias in nanocrystalline BiFeO3

NASA Astrophysics Data System (ADS)

Srivastav, Simant Kumar; Johari, Anima; Patel, S. K. S.; Gajbhiye, N. S.

2017-11-01

We investigated the static and dynamic aspects of the magnetic properties for single phase nanocrystalline BiFeO3 with average crystallite size of 35 nm. The frequency dependence of the peak is observed in the real part of ac susceptibility χ‧ac vs T measurement and described well by the Vogel-Fulcher law as well as the power law. These analyses indicated the existence of cluster glass state with significant interaction among the spin clusters and results in cluster-glass like cooperative freezing at low temperature. The influence of temperature and magnetic field cooling on the exchange bias effect is investigated. A training effect is also observed. We have reported a significantly high ZFC & FC exchange bias of 200 Oe & 450 Oe at 300 K and 900 Oe & 2100 Oe at 5 K. The obtained results are interpreted in the framework of core-shell model, where the core of the BFO nanoparticles shows antiferromagnetic behavior and surrounded by CG-like ferromagnetic (FM) shell associated to uncompensated surface spins.

The 68mCu/68Cu isotope as a new probe for hyperfine studies: The nuclear moments

NASA Astrophysics Data System (ADS)

Fenta, A. S.; Pallada, S.; Correia, J. G.; Stachura, M.; Johnston, K.; Gottberg, A.; Mokhles Gerami, A.; Röder, J.; Grawe, H.; Brown, B. A.; Köster, U.; Mendonça, T. M.; Ramos, J. P.; Marsh, B. A.; Day Goodacre, T.; Amaral, V. S.; Pereira, L. M. C.; Borge, M. J. G.; Haas, H.

2016-09-01

Time Differential Perturbed Angular Correlation of γ-rays (TDPAC) experiments were performed for the first time in the decay of 68m Cu (6-, 721 \\text{keV}, 3.75 \\text{min}) produced at the ISOLDE facility at CERN. Due to the short half-life of the source isotope, the measurements were carried out online. The intermediate state (2+, 84.1 \\text{keV}, 7.84 \\text{ns}) offers the unique opportunity to study the electromagnetic fields acting at a copper probe in condensed matter via hyperfine interactions. The present work allowed determination of the nuclear moments for this state. The electric quadrupole moment |Q(2+,84.1 \\text{keV})|=0.110(3) \\text{b} was obtained from an experiment performed in Cu2O and the magnetic dipole moment |μ|=2.857(6) μ_\\text{N} from measurements in cobalt and nickel foils. The results are discussed in the framework of shell model calculations and the additivity rule for nuclear moments with respect to the robustness of the N = 40 sub-shell.

Design and Analysis of an X-Ray Mirror Assembly Using the Meta-Shell Approach

NASA Technical Reports Server (NTRS)

McClelland, Ryan S.; Bonafede, Joseph; Saha, Timo T.; Solly, Peter M.; Zhang, William W.

2016-01-01

Lightweight and high resolution optics are needed for future space-based x-ray telescopes to achieve advances in high-energy astrophysics. Past missions such as Chandra and XMM-Newton have achieved excellent angular resolution using a full shell mirror approach. Other missions such as Suzaku and NuSTAR have achieved lightweight mirrors using a segmented approach. This paper describes a new approach, called meta-shells, which combines the fabrication advantages of segmented optics with the alignment advantages of full shell optics. Meta-shells are built by layering overlapping mirror segments onto a central structural shell. The resulting optic has the stiffness and rotational symmetry of a full shell, but with an order of magnitude greater collecting area. Several meta-shells so constructed can be integrated into a large x-ray mirror assembly by proven methods used for Chandra and XMM-Newton. The mirror segments are mounted to the meta-shell using a novel four point semi-kinematic mount. The four point mount deterministically locates the segment in its most performance sensitive degrees of freedom. Extensive analysis has been performed to demonstrate the feasibility of the four point mount and meta-shell approach. A mathematical model of a meta-shell constructed with mirror segments bonded at four points and subject to launch loads has been developed to determine the optimal design parameters, namely bond size, mirror segment span, and number of layers per meta-shell. The parameters of an example 1.3 m diameter mirror assembly are given including the predicted effective area. To verify the mathematical model and support opto-mechanical analysis, a detailed finite element model of a meta-shell was created. Finite element analysis predicts low gravity distortion and low sensitivity to thermal gradients.

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.

Fragmentation of protostars dust shells at the Hayashi stage

NASA Astrophysics Data System (ADS)

Abdulmyanov, T. R.

2017-09-01

The aim of this study is to determine the density variations of a protostars dust shells at the Hayashi stage. The simplified model of the density wave perturbations are obtained on the base hydrodynamic equations. According to this model, the fragmentation of dust shells may occur at the stage of slow compression of protostar. Using the solution of the wave equation, the 3-D profiles of the density of the dust shell are defined.

Effective Simulation of Delamination in Aeronautical Structures Using Shells and Cohesive Elements

NASA Technical Reports Server (NTRS)

Davila, Carlos G.; Camanho, Pedro P.; Turon, Albert

2007-01-01

A cohesive element for shell analysis is presented. The element can be used to simulate the initiation and growth of delaminations between stacked, non-coincident layers of shell elements. The procedure to construct the element accounts for the thickness offset by applying the kinematic relations of shell deformation to transform the stiffness and internal force of a zero-thickness cohesive element such that interfacial continuity between the layers is enforced. The procedure is demonstrated by simulating the response and failure of the Mixed Mode Bending test and a skin-stiffener debond specimen. In addition, it is shown that stacks of shell elements can be used to create effective models to predict the inplane and delamination failure modes of thick components. The results indicate that simple shell models can retain many of the necessary predictive attributes of much more complex 3D models while providing the computational efficiency that is necessary for design.

Cohesive Elements for Shells

NASA Technical Reports Server (NTRS)

Davila, Carlos G.; Camanho, Pedro P.; Turon, Albert

2007-01-01

A cohesive element for shell analysis is presented. The element can be used to simulate the initiation and growth of delaminations between stacked, non-coincident layers of shell elements. The procedure to construct the element accounts for the thickness offset by applying the kinematic relations of shell deformation to transform the stiffness and internal force of a zero-thickness cohesive element such that interfacial continuity between the layers is enforced. The procedure is demonstrated by simulating the response and failure of the Mixed Mode Bending test and a skin-stiffener debond specimen. In addition, it is shown that stacks of shell elements can be used to create effective models to predict the inplane and delamination failure modes of thick components. The results indicate that simple shell models can retain many of the necessary predictive attributes of much more complex 3D models while providing the computational efficiency that is necessary for design.

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

NASA Astrophysics Data System (ADS)

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

2013-09-01

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

Measurements of g(41+,22+) in 70,72,74,76Ge: Systematics of low-lying structures in 30≤Z≤40 and 30≤N≤50 nuclei

NASA Astrophysics Data System (ADS)

Gürdal, G.; Stefanova, E. A.; Boutachkov, P.; Torres, D. A.; Kumbartzki, G. J.; Benczer-Koller, N.; Sharon, Y. Y.; Zamick, L.; Robinson, S. J. Q.; Ahn, T.; Anagnostatou, V.; Bernards, C.; Elvers, M.; Heinz, A.; Ilie, G.; Radeck, D.; Savran, D.; Werner, V.; Williams, E.

2013-07-01

Background: The interplay between single-particle and collective excitations in the 30 ≤Z≤ 40 and 30 ≤N≤ 50 even-even isotopes has been examined in light of recent new measurements of magnetic moments of 41+, 22+, and 21+ states.Purpose: The g factors of the 41+ and 22+ states in the 72,74,76Ge isotopes have been measured for the first time and the g(21+) values have been remeasured.Methods: The transient field (TF) technique in inverse kinematics with a variety of targets has been applied, following Coulomb excitation of the relevant states. The data have been analyzed within the framework of the IBA-II model. Large-scale shell-model calculations have been performed within the p3/2,p1/2,f5/2,g9/2 orbital space for both protons and neutrons with the JUN45 and JJ4B interactions.Results: The measured Ge g factors were compared to the g factors of the low-lying states of the neighboring Zn, Ge, Se, Kr, and Sr isotopes. The results were evaluated in the context of the systematics of g factors in the A˜80 region.Conclusions: The predictions based on the classic collective model and the interacting boson model IBA-II agree with the experimental results. No evidence for shell closure was found for neutrons at N=38 or N=40.

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.

MIA - A free and open source software for gray scale medical image analysis

PubMed Central

2013-01-01

Background Gray scale images make the bulk of data in bio-medical image analysis, and hence, the main focus of many image processing tasks lies in the processing of these monochrome images. With ever improving acquisition devices, spatial and temporal image resolution increases, and data sets become very large. Various image processing frameworks exists that make the development of new algorithms easy by using high level programming languages or visual programming. These frameworks are also accessable to researchers that have no background or little in software development because they take care of otherwise complex tasks. Specifically, the management of working memory is taken care of automatically, usually at the price of requiring more it. As a result, processing large data sets with these tools becomes increasingly difficult on work station class computers. One alternative to using these high level processing tools is the development of new algorithms in a languages like C++, that gives the developer full control over how memory is handled, but the resulting workflow for the prototyping of new algorithms is rather time intensive, and also not appropriate for a researcher with little or no knowledge in software development. Another alternative is in using command line tools that run image processing tasks, use the hard disk to store intermediate results, and provide automation by using shell scripts. Although not as convenient as, e.g. visual programming, this approach is still accessable to researchers without a background in computer science. However, only few tools exist that provide this kind of processing interface, they are usually quite task specific, and don’t provide an clear approach when one wants to shape a new command line tool from a prototype shell script. Results The proposed framework, MIA, provides a combination of command line tools, plug-ins, and libraries that make it possible to run image processing tasks interactively in a command shell and to prototype by using the according shell scripting language. Since the hard disk becomes the temporal storage memory management is usually a non-issue in the prototyping phase. By using string-based descriptions for filters, optimizers, and the likes, the transition from shell scripts to full fledged programs implemented in C++ is also made easy. In addition, its design based on atomic plug-ins and single tasks command line tools makes it easy to extend MIA, usually without the requirement to touch or recompile existing code. Conclusion In this article, we describe the general design of MIA, a general purpouse framework for gray scale image processing. We demonstrated the applicability of the software with example applications from three different research scenarios, namely motion compensation in myocardial perfusion imaging, the processing of high resolution image data that arises in virtual anthropology, and retrospective analysis of treatment outcome in orthognathic surgery. With MIA prototyping algorithms by using shell scripts that combine small, single-task command line tools is a viable alternative to the use of high level languages, an approach that is especially useful when large data sets need to be processed. PMID:24119305

MIA - A free and open source software for gray scale medical image analysis.

PubMed

Wollny, Gert; Kellman, Peter; Ledesma-Carbayo, María-Jesus; Skinner, Matthew M; Hublin, Jean-Jaques; Hierl, Thomas

2013-10-11

Gray scale images make the bulk of data in bio-medical image analysis, and hence, the main focus of many image processing tasks lies in the processing of these monochrome images. With ever improving acquisition devices, spatial and temporal image resolution increases, and data sets become very large.Various image processing frameworks exists that make the development of new algorithms easy by using high level programming languages or visual programming. These frameworks are also accessable to researchers that have no background or little in software development because they take care of otherwise complex tasks. Specifically, the management of working memory is taken care of automatically, usually at the price of requiring more it. As a result, processing large data sets with these tools becomes increasingly difficult on work station class computers.One alternative to using these high level processing tools is the development of new algorithms in a languages like C++, that gives the developer full control over how memory is handled, but the resulting workflow for the prototyping of new algorithms is rather time intensive, and also not appropriate for a researcher with little or no knowledge in software development.Another alternative is in using command line tools that run image processing tasks, use the hard disk to store intermediate results, and provide automation by using shell scripts. Although not as convenient as, e.g. visual programming, this approach is still accessable to researchers without a background in computer science. However, only few tools exist that provide this kind of processing interface, they are usually quite task specific, and don't provide an clear approach when one wants to shape a new command line tool from a prototype shell script. The proposed framework, MIA, provides a combination of command line tools, plug-ins, and libraries that make it possible to run image processing tasks interactively in a command shell and to prototype by using the according shell scripting language. Since the hard disk becomes the temporal storage memory management is usually a non-issue in the prototyping phase. By using string-based descriptions for filters, optimizers, and the likes, the transition from shell scripts to full fledged programs implemented in C++ is also made easy. In addition, its design based on atomic plug-ins and single tasks command line tools makes it easy to extend MIA, usually without the requirement to touch or recompile existing code. In this article, we describe the general design of MIA, a general purpouse framework for gray scale image processing. We demonstrated the applicability of the software with example applications from three different research scenarios, namely motion compensation in myocardial perfusion imaging, the processing of high resolution image data that arises in virtual anthropology, and retrospective analysis of treatment outcome in orthognathic surgery. With MIA prototyping algorithms by using shell scripts that combine small, single-task command line tools is a viable alternative to the use of high level languages, an approach that is especially useful when large data sets need to be processed.

A revised B(E2;2+ 1 → 0+ 1) value in the semi-magic nucleus 210Po

NASA Astrophysics Data System (ADS)

Kocheva, D.; Rainovski, G.; Jolie, J.; Pietralla, N.; Blazhev, A.; Astier, A.; Altenkirch, R.; Ansari, S.; Braunroth, Th.; Cortés, M. L.; Dewald, A.; Diel, F.; Djongolov, M.; Fransen, C.; Gladnishki, K.; Hennig, A.; Karayonchev, V.; Keatings, J. M.; Kluge, E.; Litzinger, J.; Müller-Gatermann, C.; Petkov, P.; Rudigier, M.; Scheck, M.; Scholz, Ph.; Spagnoletti, P.; Spieker, M.; Stahl, C.; Stegmann, R.; Stoyanova, M.; Thöle, P.; Warr, N.; Werner, V.; Witt, W.; Wölk, D.; Zell, K. O.; Van Isacker, P.; Ponomarev, V. Yu.

2017-09-01

The lifetimes of the 2^+_1 , the 2^+_2 and the 3^-_1 states of 210Po have been measured in the 208Pb(12C,10Be)210Po transfer reaction by the Doppler-shift attenuation method. The result for the lifetime of the 2^+_1 state is about three times shorter than the adopted value. However, the new value still does not allow for a consistent description of the properties of the yrast 2^+_1 , 4^+_1 , 6^+_1 , and 8^+_1 states of 210Po in the framework of nuclear shell models. Quasi-particle Phonon Model (QPM) calculations also cannot overcome this problem thus indicating the existence of a peculiarity which is neglected in both theoretical approaches.

Refined hierarchical kinematics quasi-3D Ritz models for free vibration analysis of doubly curved FGM shells and sandwich shells with FGM core

NASA Astrophysics Data System (ADS)

Fazzolari, Fiorenzo A.; Carrera, Erasmo

2014-02-01

In this paper, the Ritz minimum energy method, based on the use of the Principle of Virtual Displacements (PVD), is combined with refined Equivalent Single Layer (ESL) and Zig Zag (ZZ) shell models hierarchically generated by exploiting the use of Carrera's Unified Formulation (CUF), in order to engender the Hierarchical Trigonometric Ritz Formulation (HTRF). The HTRF is then employed to carry out the free vibration analysis of doubly curved shallow and deep functionally graded material (FGM) shells. The PVD is further used in conjunction with the Gauss theorem to derive the governing differential equations and related natural boundary conditions. Donnell-Mushtari's shallow shell-type equations are given as a particular case. Doubly curved FGM shells and doubly curved sandwich shells made up of isotropic face sheets and FGM core are investigated. The proposed shell models are widely assessed by comparison with the literature results. Two benchmarks are provided and the effects of significant parameters such as stacking sequence, boundary conditions, length-to-thickness ratio, radius-to-length ratio and volume fraction index on the circular frequency parameters and modal displacements are discussed.

Two-nucleon high-spin states, the Bansal-French model and the crude shell model

NASA Astrophysics Data System (ADS)

Chan, Tsan Ung

1987-08-01

Recent data on two-nucleon stretched high-spin states agree well with the crude shell model predictions. For two-neutron high-spin states, the A and T linear dependence of B2n in the Bansal-French model can be deduced from the A and T linear dependence of Bn and the crude shell model. 7-2 states in some Zn and Ge even nuclei might be two-proton states. This hypothesis should be confirmed by two-proton transfer reaction.

Further Results in Bend-Buckling Analysis of Ring Stiffened Cylindrical Shells.

DTIC Science & Technology

1986-08-01

Submerged Shell Targets, NSWC TR 84-380, Dec 1984. 2. Moussouros, M., "Finite Element Modeling Techniques for Buckling Analysis of Cylindrical Shells...KCR, MBR , M0 , F0 , and I, R is the mean radius as given by R0 ) R0 - Mean radius of circular cylindrical shell (perfect shell or radius of

X-rays from Eta Carinae

NASA Technical Reports Server (NTRS)

Chlebowski, T.; Seward, F. D.; Swank, J.; Szymkowiak, A.

1984-01-01

X-ray observations of Eta Car obtained with the high-resolution imager and solid-state spectrometer of the Einstein observatory are reported and interpreted in terms of a two-shell model. A soft component with temperature 5 million K is located in the expanding outer shell, and the hard core component with temperature 80 million K is attributed to the interaction of a high-velocity stellar wind from the massive central object with the inner edge of a dust shell. Model calculations based on comparison with optical and IR data permit estimation of the mass of the outer shell (0.004 solar mass), the mass of the dust shell (3 solar mass), and the total shell expansion energy (less than 2 x 10 to the 49th ergs).

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

NASA Technical Reports Server (NTRS)

Rastogi, Naveen; Johnson, Eric R.

1994-01-01

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

Meta-shell Approach for Constructing Lightweight and High Resolution X-Ray Optics

NASA Technical Reports Server (NTRS)

McClelland, Ryan S.

2016-01-01

Lightweight and high resolution optics are needed for future space-based x-ray telescopes to achieve advances in high-energy astrophysics. Past missions such as Chandra and XMM-Newton have achieved excellent angular resolution using a full shell mirror approach. Other missions such as Suzaku and NuSTAR have achieved lightweight mirrors using a segmented approach. This paper describes a new approach, called meta-shells, which combines the fabrication advantages of segmented optics with the alignment advantages of full shell optics. Meta-shells are built by layering overlapping mirror segments onto a central structural shell. The resulting optic has the stiffness and rotational symmetry of a full shell, but with an order of magnitude greater collecting area. Several meta-shells so constructed can be integrated into a large x-ray mirror assembly by proven methods used for Chandra and XMM-Newton. The mirror segments are mounted to the meta-shell using a novel four point semi-kinematic mount. The four point mount deterministically locates the segment in its most performance sensitive degrees of freedom. Extensive analysis has been performed to demonstrate the feasibility of the four point mount and meta-shell approach. A mathematical model of a meta-shell constructed with mirror segments bonded at four points and subject to launch loads has been developed to determine the optimal design parameters, namely bond size, mirror segment span, and number of layers per meta-shell. The parameters of an example 1.3 m diameter mirror assembly are given including the predicted effective area. To verify the mathematical model and support opto-mechanical analysis, a detailed finite element model of a meta-shell was created. Finite element analysis predicts low gravity distortion and low thermal distortion. Recent results are discussed including Structural Thermal Optical Performance (STOP) analysis as well as vibration and shock testing of prototype meta-shells.

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

Old and New Magic Numbers

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

Talmi, Igal

2008-11-11

The discovery of magic numbers led to the shell model. They indicated closure of major shells and are robust: proton magic numbers are rather independent of the occupation of neutron orbits and vice versa. Recently the magic property became less stringent and we hear a lot about the discovery of new magic numbers. These, however, indicate sub-shell closures and strongly depend on occupation numbers and hence, may be called quasi-magic numbers. Some of these have been known for many years and the mechanism for their appearance as well as disappearance, was well understood within the simple shell model. The situationmore » will be illustrated by a few examples which demonstrate the simple features of the shell model. Will this simplicity emerge from the complex computations of nuclear many-body theory?.« less

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

Nick Cannell; Adrian S. Sabau

The investment casting process allows the production of complex-shape parts and close dimensional tolerances. One of the most important phases in the investment casting process is the design of the pattern die. Pattern dies are used to create wax patterns by injecting wax into dies. The first part of the project involved preparation of reports on the state of the art at that time for all the areas under consideration (die-wax, wax-shell, and shell-alloy). The primary R&D focus during Phase I was on the wax material since the least was known about it. The main R&D accomplishments during this phasemore » were determination of procedures for obtaining the thermal conductivity and viscoelastic properties of an unfilled wax and validating those procedures. Phase II focused on die-wax and shell-alloy systems. A wax material model was developed based on results obtained during the previous R&D phase, and a die-wax model was successfully incorporated into and used in commercial computer programs. Current computer simulation programs have complementary features. A viscoelastic module was available in ABAQUS but unavailable in ProCAST, while the mold-filling module was available in ProCAST but unavailable in ABAQUS. Thus, the numerical simulation results were only in good qualitative agreement with experimental results, the predicted shrinkage factors being approximately 2.5 times larger than those measured. Significant progress was made, and results showed that the testing and modeling of wax material had great potential for industrial applications. Additional R&D focus was placed on one shell-alloy system. The fused-silica shell mold and A356 aluminum alloy were considered. The experimental part of the program was conducted at ORNL and commercial foundries, where wax patterns were injected, molds were invested, and alloys were poured. It was very important to obtain accurate temperature data from actual castings, and significant effort was made to obtain temperature profiles in the shell mold. A model for thermal radiation within the shell mold was developed, and the thermal model was successfully validated using ProCAST. Since the fused silica shells had the lowest thermal expansion properties in the industry, the dewaxing phase, including the coupling between wax-shell systems, was neglected. The prefiring of the empty shell mold was considered in the model, and the shell mold was limited to a pure elastic material. The alloy dimensions were obtained from numerical simulations only with coupled shell-alloy systems. The alloy dimensions were in excellent quantitative agreement with experimental data, validating the deformation module. For actual parts, however, the creep properties of the shell molds must also be obtained, modeled, and validated.« less

Applying a Qualitative Modeling Shell to Process Diagnosis: The Caster System.

DTIC Science & Technology

1986-03-01

Process Diagnosis: The Caster System by Timothy F. Thompson and William J. Clancey Department of Computer Science Stanford University Stanford, CA 94303...MODELING SHELL TO PROCESS DIAGNOSIS: THE CASTER SYSTEM 12 PERSONAL AUTHOR(S) TIMOTHY F. THOMPSON. WESTINGHOUSE R&D CENTER, WILLIAM CLANCEY, STANFORD...editions are obsolete. Applying a Qualitative Modeling Shell to Process Diagnosis: The Caster System by Timothy F. Thompson, Westinghouse R&D Center

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

Gronke, M.; Dijkstra, M., E-mail: maxbg@astro.uio.no

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

Ion acceleration in shell cylinders irradiated by a short intense laser pulse

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

Andreev, A.; ELI-ALPS, Szeged; Platonov, K.

The interaction of a short high intensity laser pulse with homo and heterogeneous shell cylinders has been analyzed using particle-in-cell simulations and analytical modeling. We show that the shell cylinder is proficient of accelerating and focusing ions in a narrow region. In the case of shell cylinder, the ion energy exceeds the ion energy for a flat target of the same thickness. The constructed model enables the evaluation of the ion energy and the number of ions in the focusing region.

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

Nuclear structure for SNe r- and neutrino processes

NASA Astrophysics Data System (ADS)

Suzuki, Toshio

2014-09-01

SNe r- and neutrino-processes are investigated based on recent advances in the studies of spin responses in nuclei. New shell-model Hamiltonians, which can well describe spin responses in nuclei with proper tensor components, are used to make accurate evaluations of reaction cross sections and rates in astrophysical processes. Nucleosyntheses in SNe r- and ν -processes as well as rp-processes are discussed with these new reaction rates with improved accuracies. (1) Beta-decay rates for N = 126 isotones are evaluated by shell-model calculations, and new rates are applied to study r-process nucleosynthesis in SNe's around its third peak as well as beyond the peak region up to uranium. (2) ν -processes for light-element synthesis in core-collapse SNe are studied with a new shell-model Hamiltonian in p-shell, SFO. Effects of MSW ν -oscillations on the production yields of 7Li and 11B and sensitivity of the yield ratio on ν -oscillation parameters are discussed. ν -induced reactions on 16O are also studied. (3) A new shell-model Hamiltonian in pf-shell, GXPF1J, is used to evaluate e-capture rates in pf-shell nuclei at stellar environments. New e-capture rates are applied to study nucleosynthesis in type-Ia supernova explosions, rp-process and X-ray bursts.

Host susceptibility hypothesis for shell disease in American lobsters.

PubMed

Tlusty, Michael F; Smolowitz, Roxanna M; Halvorson, Harlyn O; DeVito, Simone E

2007-12-01

Epizootic shell disease (ESD) in American lobsters Homarus americanus is the bacterial degradation of the carapace resulting in extensive irregular, deep erosions. The disease is having a major impact on the health and mortality of some American lobster populations, and its effects are being transferred to the economics of the fishery. While the onset and progression of ESD in American lobsters is undoubtedly multifactorial, there is little understanding of the direct causality of this disease. The host susceptibility hypothesis developed here states that although numerous environmental and pathological factors may vary around a lobster, it is eventually the lobster's internal state that is permissive to or shields it from the final onset of the diseased state. To support the host susceptibility hypothesis, we conceptualized a model of shell disease onset and severity to allow further research on shell disease to progress from a structured model. The model states that shell disease onset will occur when the net cuticle degradation (bacterial degradation, decrease of host immune response to bacteria, natural wear, and resorption) is greater than the net deposition (growth, maintenance, and inflammatory response) of the shell. Furthermore, lesion severity depends on the extent to which cuticle degradation exceeds deposition. This model is consistent with natural observations of shell disease in American lobster.

In-Flight Aeroelastic Stability of the Thermal Protection System on the NASA HIAD, Part I: Linear Theory

NASA Technical Reports Server (NTRS)

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

2014-01-01

Conical shell theory and piston theory aerodynamics are used to study the aeroelastic stability of the thermal protection system (TPS) on the NASA Hypersonic Inflatable Aerodynamic Decelerator (HIAD). Structural models of the TPS consist of single or multiple orthotropic conical shell systems resting on several circumferential linear elastic supports. The shells in each model may have pinned (simply-supported) or elastically-supported edges. The Lagrangian is formulated in terms of the generalized coordinates for all displacements and the Rayleigh-Ritz method is used to derive the equations of motion. The natural modes of vibration and aeroelastic stability boundaries are found by calculating the eigenvalues and eigenvectors of a large coefficient matrix. When the in-flight configuration of the TPS is approximated as a single 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. Aeroelastic models that consider the individual TPS layers as separate shells tend to flutter asymmetrically at high dynamic pressures relative to the single shell models. Several parameter studies also examine the effects of tension, orthotropicity, and elastic support stiffness.

Planetary Ice-Oceans: Numerical Modeling Study of Ice-Shell Growth in Convecting Two-Phase Systems

NASA Astrophysics Data System (ADS)

Allu Peddinti, Divya; McNamara, Allen

2017-04-01

Several icy bodies in the Solar system such as the icy moons Europa and Enceladus exhibit signs of subsurface oceans underneath an ice-shell. For Europa, the geologically young surface, the presence of surface features and the aligned surface chemistry pose interesting questions about formation of the ice-shell and its interaction with the ocean below. This also ties in with its astrobiological potential and implications for similar ice-ocean systems elsewhere in the cosmos. The overall thickness of the H2O layer on Europa is estimated to be 100-150 km while the thickness of the ice-shell is debated. Additionally, Europa is subject to tidal heating due to interaction with Jupiter's immense gravity field. It is of interest to understand how the ice-shell thickness varies in the presence of tidal internal heating and the localization of heating in different regions of the ice-shell. Thus this study aims to determine the effect of tidal internal heating on the growth rate of the ice-shell over time. We perform geodynamic modeling of the ice-ocean system in order to understand how the ice-shell thickness changes with time. The convection code employs the ice Ih-water phase diagram in order to model the two-phase convecting ice-ocean system. All the models begin from an initial warm thick ocean that cools from the top. The numerical experiments analyze three cases: case 1 with no tidal internal heating in the system, case 2 with constant tidal internal heating in the ice and case 3 with viscosity-dependent tidal internal heating in the ice. We track the ice-shell thickness as a function of time as the system cools. Modeling results so far have identified that the shell growth rate changes substantially at a point in time that coincides with a change in the planform of ice-convection cells. Additionally, the velocity vs depth plots indicate a shift from a conduction dominant to a convection dominant ice regime. We compare the three different cases to provide a comprehensive understanding of the temporal variation in the ice-shell thickness due to the addition of heating in the ice.

Double-detonation Sub-Chandrasekhar Supernovae: Synthetic Observables for Minimum Helium Shell Mass Models

NASA Astrophysics Data System (ADS)

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

2010-08-01

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

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

Shell Tectonics: A Mechanical Model for Strike-slip Displacement on Europa

NASA Technical Reports Server (NTRS)

Rhoden, Alyssa Rose; Wurman, Gilead; Huff, Eric M.; Manga, Michael; Hurford, Terry A.

2012-01-01

We introduce a new mechanical model for producing tidally-driven strike-slip displacement along preexisting faults on Europa, which we call shell tectonics. This model differs from previous models of strike-slip on icy satellites by incorporating a Coulomb failure criterion, approximating a viscoelastic rheology, determining the slip direction based on the gradient of the tidal shear stress rather than its sign, and quantitatively determining the net offset over many orbits. This model allows us to predict the direction of net displacement along faults and determine relative accumulation rate of displacement. To test the shell tectonics model, we generate global predictions of slip direction and compare them with the observed global pattern of strike-slip displacement on Europa in which left-lateral faults dominate far north of the equator, right-lateral faults dominate in the far south, and near-equatorial regions display a mixture of both types of faults. The shell tectonics model reproduces this global pattern. Incorporating a small obliquity into calculations of tidal stresses, which are used as inputs to the shell tectonics model, can also explain regional differences in strike-slip fault populations. We also discuss implications for fault azimuths, fault depth, and Europa's tectonic history.

Two-nucleon high-spin states, the Bansal-French model and the crude shell model

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

Chan, T.U.

Recent data on two-nucleon stretched high-spin states agree well with the crude shell model predictions. For two-neutron high-spin states, the A and T linear dependence of B/sub 2n/ in the Bansal-French model can be deduced from the A and T linear dependence of B/sub n/ and the crude shell model. 7/sub 2//sup -/ states in some Zn and Ge even nuclei might be two-proton states. This hypothesis should be confirmed by two-proton transfer reaction.

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

Effects of Drift-Shell Splitting by Chorus Waves on Radiation Belt Electrons

NASA Astrophysics Data System (ADS)

Chan, A. A.; Zheng, L.; O'Brien, T. P., III; Tu, W.; Cunningham, G.; Elkington, S. R.; Albert, J.

2015-12-01

Drift shell splitting in the radiation belts breaks all three adiabatic invariants of charged particle motion via pitch angle scattering, and produces new diffusion terms that fully populate the diffusion tensor in the Fokker-Planck equation. Based on the stochastic differential equation method, the Radbelt Electron Model (REM) simulation code allows us to solve such a fully three-dimensional Fokker-Planck equation, and to elucidate the sources and transport mechanisms behind the phase space density variations. REM has been used to perform simulations with an empirical initial phase space density followed by a seed electron injection, with a Tsyganenko 1989 magnetic field model, and with chorus wave and ULF wave diffusion models. Our simulation results show that adding drift shell splitting changes the phase space location of the source to smaller L shells, which typically reduces local electron energization (compared to neglecting drift-shell splitting effects). Simulation results with and without drift-shell splitting effects are compared with Van Allen Probe measurements.

Influences of external vs. core-shell mixing on aerosol optical properties at various relative humidities.

PubMed

Ramachandran, S; Srivastava, Rohit

2013-05-01

Aerosol optical properties of external and core-shell mixtures of aerosol species present in the atmosphere are calculated in this study for different relative humidities. Core-shell Mie calculations are performed using the values of radii, refractive indices and densities of aerosol species that act as core and shell, and the core-shell radius ratio. The single scattering albedo (SSA) is higher when the absorbing species (black carbon, BC) is the core, while for a sulfate core SSA does not vary significantly as the BC in the shell dominates the absorption. Absorption gets enhanced in core-shell mixing of absorbing and scattering aerosols when compared to their external mixture. Thus, SSA is significantly lower for a core-shell mixture than their external mixture. SSA is more sensitive to core-shell ratio than mode radius when BC is the core. The extinction coefficient, SSA and asymmetry parameter are higher for external mixing when compared to BC (core)-water soluble aerosol (shell), and water soluble aerosol (core)-BC (shell) mixtures in the relative humidity range of 0 to 90%. Spectral SSA exhibits the behaviour of the species which acts as a shell in core-shell mixing. The asymmetry parameter for an external mixture of water soluble aerosol and BC is higher than BC (core)-water soluble aerosol (shell) mixing and increases as function of relative humidity. The asymmetry parameter for the water soluble aerosol (core)-BC (shell) is independent of relative humidity as BC is hydrophobic. The asymmetry parameter of the core-shell mixture decreases when BC aerosols are involved in mixing, as the asymmetry parameter of BC is lower. Aerosol optical depth (AOD) of core-shell mixtures increases at a higher rate when the relative humidity exceeds 70% in continental clean and urban aerosol models, whereas AOD remains the same when the relative humidity exceeds 50% in maritime aerosol models. The SSA for continental aerosols varies for core-shell mixing of water soluble aerosol (core)-shell (BC) when compared to their external mixture, while the SSA for maritime aerosols does not vary significantly for different mixing scenarios because of the dominance of sea salt aerosols. Thus, these results confirm that aerosol mixing can modify the physical and optical characteristics of aerosols, which vary as a function of relative humidity. These calculations will be useful in parameterising the effect of core-shell vs. external mixing of aerosols in global climate models, and in the evaluation of aerosol radiative effects.

Imperfection sensitivity of pressured buckling of biopolymer spherical shells

NASA Astrophysics Data System (ADS)

Zhang, Lei; Ru, C. Q.

2016-06-01

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

Electrochemical synthesis of 1D core-shell Si/TiO2 nanotubes for lithium ion batteries

NASA Astrophysics Data System (ADS)

Kowalski, Damian; Mallet, Jeremy; Thomas, Shibin; Nemaga, Abirdu Woreka; Michel, Jean; Guery, Claude; Molinari, Michael; Morcrette, Mathieu

2017-09-01

Silicon negative electrode for lithium ion battery was designed in the form of self-organized 1D core-shell nanotubes to overcome shortcomings linked to silicon volume expansion upon lithiation/delithiation typically occurring with Si nanoparticles. The negative electrode was formed on TiO2 nanotubes in two step electrochemical synthesis by means of anodizing of titanium and electrodeposition of silicon using ionic liquid electrolytes. Remarkably, it was found that the silicon grows perpendicularly to the z-axis of nanotube and therefore its thickness can be precisely controlled by the charge passed in the electrochemical protocol. Deposited silicon creates a continuous Si network on TiO2 nanotubes without grain boundaries and particle-particle interfaces, defining its electrochemical characteristics under battery testing. In the core-shell system the titania nanotube play a role of volume expansion stabilizer framework holding the nanostructured silicon upon lithiation/delithiation. The nature of Si shell and presence of titania core determine stable performance as negative electrode tested in half cell of CR2032 coin cell battery.

Synthesis of Fe3O4@P4VP@ZIF-8 core-shell microspheres and their application in a Knoevenagel condensation reaction

NASA Astrophysics Data System (ADS)

Miao, Zongcheng; Yang, Fengxia; Luan, Yi; Shu, Xin; Ramella, Daniele

2017-12-01

In this work, a core-shell magnetic composite Fe3O4@P4VP@ZIF-8 microspheres were successfully designed and synthesized. A polymerization approach on the surface of pre-made Fe3O4 microspheres was employed for the synthesis of Fe3O4@P4VP. The zinc-derived Zeolite Imidazolate Framework (ZIF) shell was introduced through a layer-by-layer strategy. The obtained Fe3O4@P4VP@ZIF-8 core-shell structure was employed as an efficient Knoevenagel condensation catalyst for a variety of aldehydes. Furthermore, the inner P4VP layer also served as a basic additive in the condensation reaction process, while much less homogeneous basic additive was used. High catalytic reaction efficiency was achieved when the P4VP layer was utilized in combination with a Lewis acidity bearing ZIF-8 layer. The Fe3O4@P4VP@ZIF-8 catalyst was tested for recyclability and no drop in the catalytic activity was observed after more than five cycles.

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

Brink, Adam Ray; Quinn, D. Dane

This paper describes the energy dissipation arising from microslip for an elastic shell incorporating shear and longitudinal deformation resting on a rough-rigid foundation. This phenomenon is investigated using finite element (FE) analysis and nonlinear geometrically exact shell theory. Both approaches illustrate the effect of shear within the shell and observe a reduction in the energy dissipated from microslip as compared to a similar system neglecting shear deformation. In particular, it is found that the shear deformation allows for load to be transmitted beyond the region of slip so that the entire interface contributes to the load carrying capability of themore » shell. The energy dissipation resulting from the shell model is shown to agree well with that arising from the FE model, and this representation can be used as a basis for reduced order models that capture the microslip phenomenon.« less

Biodegradable Core-shell Dual-Metal-Organic-Frameworks Nanotheranostic Agent for Multiple Imaging Guided Combination Cancer Therapy

PubMed Central

Wang, Dongdong; Zhou, Jiajia; Shi, Ruohong; Wu, Huihui; Chen, Ruhui; Duan, Beichen; Xia, Guoliang; Xu, Pengping; Wang, Hui; Zhou, Shu; Wang, Chengming; Wang, Haibao; Guo, Zhen; Chen, Qianwang

2017-01-01

Metal-organic-frameworks (MOFs) possess high porosity, large surface area, and tunable functionality are promising candidates for synchronous diagnosis and therapy in cancer treatment. Although large number of MOFs has been discovered, conventional MOF-based nanoplatforms are mainly limited to the sole MOF source with sole functionality. In this study, surfactant modified Prussian blue (PB) core coated by compact ZIF-8 shell (core-shell dual-MOFs, CSD-MOFs) has been reported through a versatile stepwise approach. With Prussian blue as core, CSD-MOFs are able to serve as both magnetic resonance imaging (MRI) and fluorescence optical imaging (FOI) agents. We show that CSD-MOFs crystals loading the anticancer drug doxorubicin (DOX) are efficient pH and near-infrared (NIR) dual-stimuli responsive drug delivery vehicles. After the degradation of ZIF-8, simultaneous NIR irradiation to the inner PB MOFs continuously generate heat that kill cancer cells. Their efficacy on HeLa cancer cell lines is higher compared with the respective single treatment modality, achieving synergistic chemo-thermal therapy efficacy. In vivo results indicate that the anti-tumor efficacy of CSD-MOFs@DOX+NIR was 7.16 and 5.07 times enhanced compared to single chemo-therapy and single thermal-therapy respectively. Our strategy opens new possibilities to construct multifunctional theranostic systems through integration of two different MOFs. PMID:29158848

Molecular Structures of Al/Si and Fe/Si Coprecipitates and the Implication for Selenite Removal

PubMed Central

Chan, Ya-Ting; Kuan, Wen-Hui; Tzou, Yu-Min; Chen, Tsan-Yao; Liu, Yu-Ting; Wang, Ming-Kuang; Teah, Heng-Yi

2016-01-01

Aluminum and iron oxides have been often used in the coagulation processes during water purification due to their unique surface properties toward anions. In the presence of silica, the coprecipitation of Al/Si or Fe/Si might decrease the efficiency of wastewater purification and reuse. In this study, surface properties and molecular structures of Al/Si and Fe/Si coprecipitates were characterized using spectroscopic techniques. Also, the selenite removal efficiency of Al/Si and Fe/Si coprecipitates in relation to their surface and structural properties was investigated. While dissolved silicate increased with increasing pH from Fe/Si coprecipitates, less than 7% of silicate was discernible from Al/Si samples over the range from acidic to alkaline conditions. Our spectroscopic results showed that the associations between Al and Si were relatively stronger than that between Fe and Si in coprecipitates. In Al/Si coprecipitates, core-shell structures were developed with AlO6/AlO4 domains as the shells and Si frameworks polymerized from the SiO2 as the cores. However, Si framework remained relatively unchanged upon coprecipitation with Fe hydroxides in Fe/Si samples. The Si core with Al shell structure of Al/Si coprecipitates shielded the negative charges from SiO2 and thereby resulted in a higher adsorption capacity of selenite than Fe/Si coprecipitates. PMID:27095071

Slush Fund: The Multiphase Nature of Oceanic Ices and Its Role in Shaping Europa's Icy Shell

NASA Astrophysics Data System (ADS)

Buffo, J.; Schmidt, B. E.; Huber, C.

2017-12-01

The role of Europa's ice shell in mediating ocean-surface interaction, constraining potential habitability of the underlying hydrosphere, and dictating the surface morphology of the moon is discussed extensively in the literature, yet the dynamics and characteristics of the shell itself remain largely unconstrained. Some of the largest unknowns arise from underrepresented physics and varying a priori assumptions built into the current ice shell models. Here we modify and apply a validated one-dimensional reactive transport model designed to simulate the formation and evolution of terrestrial sea ice to the Europa environment. The top-down freezing of sea ice due to conductive heat loss to the atmosphere is akin to the formation of the Jovian moon's outer ice shell, albeit on a different temporal and spatial scale. Nevertheless, the microscale physics that govern the formation of sea ice on Earth (heterogenous solidification leading to brine pockets and channels, multiphase reactive transport phenomena, gravity drainage) likely operate in a similar manner at the ice-ocean interface of Europa, dictating the thermal, chemical, and mechanical properties of the ice shell. Simulations of the European ice-ocean interface at different stages during the ice shell's evolution are interpolated to produce vertical profiles of temperature, salinity, solid fraction, and eutectic points throughout the entire shell. Additionally, the model is coupled to the equilibrium chemistry package FREZCHEM to investigate the impact a diverse range of putative European ocean chemistries has on ice shell properties. This method removes the need for a priori assumptions of impurity entrainment rates and ice shell properties, thus providing a first principles constraint on the stratigraphic characteristics of a simulated European ice shell. These insights have the potential to improve existing estimates for the onset of solid state convection, melt lens formation due to eutectic melting, ice shell thickness, and ocean-surface interaction rates. Moreover, this work aims to shed light on the important role microscale physics plays in determining the macroscale properties of icy worlds by highlighting and adapting successful multiphase reactive transport sea ice models utilized in large scale Earth systems science simulations.

Multi-Shell Hybrid Diffusion Imaging (HYDI) at 7 Tesla in TgF344-AD Transgenic Alzheimer Rats

PubMed Central

Daianu, Madelaine; Jacobs, Russell E.; Weitz, Tara M.; Town, Terrence C.; Thompson, Paul M.

2015-01-01

Diffusion weighted imaging (DWI) is widely used to study microstructural characteristics of the brain. Diffusion tensor imaging (DTI) and high-angular resolution imaging (HARDI) are frequently used in radiology and neuroscience research but can be limited in describing the signal behavior in composite nerve fiber structures. Here, we developed and assessed the benefit of a comprehensive diffusion encoding scheme, known as hybrid diffusion imaging (HYDI), composed of 300 DWI volumes acquired at 7-Tesla with diffusion weightings at b = 1000, 3000, 4000, 8000 and 12000 s/mm2 and applied it in transgenic Alzheimer rats (line TgF344-AD) that model the full clinico-pathological spectrum of the human disease. We studied and visualized the effects of the multiple concentric “shells” when computing three distinct anisotropy maps–fractional anisotropy (FA), generalized fractional anisotropy (GFA) and normalized quantitative anisotropy (NQA). We tested the added value of the multi-shell q-space sampling scheme, when reconstructing neural pathways using mathematical frameworks from DTI and q-ball imaging (QBI). We show a range of properties of HYDI, including lower apparent anisotropy when using high b-value shells in DTI-based reconstructions, and increases in apparent anisotropy in QBI-based reconstructions. Regardless of the reconstruction scheme, HYDI improves FA-, GFA- and NQA-aided tractography. HYDI may be valuable in human connectome projects and clinical research, as well as magnetic resonance research in experimental animals. PMID:26683657

A universal cooperative assembly-directed method for coating of mesoporous TiO2 nanoshells with enhanced lithium storage properties

PubMed Central

Guan, Bu Yuan; Yu, Le; Li, Ju; Lou, Xiong Wen (David)

2016-01-01

TiO2 is exceptionally useful, but it remains a great challenge to develop a universal method to coat TiO2 nanoshells on different functional materials. We report a one-pot, low-temperature, and facile method that can rapidly form mesoporous TiO2 shells on various inorganic, organic, and inorganic-organic composite materials, including silica-based, metal, metal oxide, organic polymer, carbon-based, and metal-organic framework nanomaterials via a cooperative assembly-directed strategy. In constructing hollow, core-shell, and yolk-shell geometries, both amorphous and crystalline TiO2 nanoshells are demonstrated with excellent control. When used as electrode materials for lithium ion batteries, these crystalline TiO2 nanoshells composed of very small nanocrystals exhibit remarkably long-term cycling stability over 1000 cycles. The electrochemical properties demonstrate that these TiO2 nanoshells are promising anode materials. PMID:26973879

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%.

Temperature and hydrostatic pressure effects on single dopant states in hollow cylindrical core-shell quantum dot

NASA Astrophysics Data System (ADS)

El-Yadri, M.; Aghoutane, N.; El Aouami, A.; Feddi, E.; Dujardin, F.; Duque, C. A.

2018-05-01

This work reports on theoretical investigation of the temperature and hydrostatic pressure effects on the confined donor impurity in a AlGaAs-GaAs hollow cylindrical core-shell quantum dot. The charges are assumed to be completely confined to the interior of the shell with approximately rigid walls. Within the framework of the effective-mass approximation and by using a variational approach, we have computed the donor binding energies as a function of the shell size in order to study the behavior of the electron-impurity attraction for a very small thickness under the influence of both temperature and hydrostatic pressure. Our results show that the temperature and hydrostatic pressure have a significant influence on the impurity binding energy for large shell quantum dots. It will be shown that the binding energy is more pronounced with increasing pressure and decreasing temperature for any impurity position and quantum dot size. The photoionization cross section is also analyzed by considering only the in-plane incident radiation polarization. Its behavior is investigated as a function of photon energy for different values of pressure and temperature. The opposite effects caused by temperature and hydrostatic pressure reveal a big practical interest and offer an alternative way to tuning of correlated electron-impurity transitions in optoelectronic devices.

Modeling delamination growth in composites

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

Reedy, E.D. Jr.; Mello, F.J.

1996-12-01

A method for modeling the initiation and growth of discrete delaminations in shell-like composite structures is presented. The laminate is divided into two or more sublaminates, with each sublaminate modeled with four-noded quadrilateral shell elements. A special, eight-noded hex constraint element connects opposing sublaminate shell elements. It supplies the nodal forces and moments needed to make the two opposing shell elements act as a single shell element until a prescribed failure criterion is satisfied. Once the failure criterion is attained, the connection is broken, creating or growing a discrete delamination. This approach has been implemented in a 3D finite elementmore » code. This code uses explicit time integration, and can analyze shell-like structures subjected to large deformations and complex contact conditions. The shell elements can use existing composite material models that include in-plane laminate failure modes. This analysis capability was developed to perform crashworthiness studies of composite structures, and is useful whenever there is a need to estimate peak loads, energy absorption, or the final shape of a highly deformed composite structure. This paper describes the eight-noded hex constraint element used to model the initiation and growth of a delamination, and discusses associated implementation issues. Particular attention is focused on the delamination growth criterion, and it is verified that calculated results do not depend on element size. In addition, results for double cantilever beam and end notched flexure specimens are presented and compared to measured data to assess the ability of the present approach to model a growing delamination.« less

Computational investigation of longitudinal diffusion, eddy dispersion, and trans-particle mass transfer in bulk, random packings of core-shell particles with varied shell thickness and shell diffusion coefficient.

PubMed

Daneyko, Anton; Hlushkou, Dzmitry; Baranau, Vasili; Khirevich, Siarhei; Seidel-Morgenstern, Andreas; Tallarek, Ulrich

2015-08-14

In recent years, chromatographic columns packed with core-shell particles have been widely used for efficient and fast separations at comparatively low operating pressure. However, the influence of the porous shell properties on the mass transfer kinetics in core-shell packings is still not fully understood. We report on results obtained with a modeling approach to simulate three-dimensional advective-diffusive transport in bulk random packings of monosized core-shell particles, covering a range of reduced mobile phase flow velocities from 0.5 up to 1000. The impact of the effective diffusivity of analyte molecules in the porous shell and the shell thickness on the resulting plate height was investigated. An extension of Giddings' theory of coupled eddy dispersion to account for retention of analyte molecules due to stagnant regions in porous shells with zero mobile phase flow velocity is presented. The plate height equation involving a modified eddy dispersion term excellently describes simulated data obtained for particle-packings with varied shell thickness and shell diffusion coefficient. It is confirmed that the model of trans-particle mass transfer resistance of core-shell particles by Kaczmarski and Guiochon [42] is applicable up to a constant factor. We analyze individual contributions to the plate height from different mass transfer mechanisms in dependence of the shell parameters. The simulations demonstrate that a reduction of plate height in packings of core-shell relative to fully porous particles arises mainly due to reduced trans-particle mass transfer resistance and transchannel eddy dispersion. Copyright © 2015 Elsevier B.V. All rights reserved.

Nonlinear Response and Residual Strength of Damaged Stiffened Shells Subjected to Combined Loads

NASA Technical Reports Server (NTRS)

Starnes, James H., Jr.; Britt, Vicki O.; Rose, Cheryl A.; Rankin, Charles C.

1996-01-01

The results of an analytical study of the nonlinear response of stiffened fuselage shells with long cracks are presented. The shells are modeled with a hierarchical modeling strategy and analyzed with a nonlinear shell analysis code that maintains the shell in a nonlinear equilibrium state while the crack is grown. The analysis accurately accounts for global and local structural response phenomena. Fuselage skins, frames stringers and failsafe straps are included in the models. Results are presented for various combinations of internal pressure and mechanical bending, vertical shear and torsion loads, and the effects of crack orientation and location on the shell response are described. These results indicate that the nonlinear interaction between the in-plane stress resultants and the out-of-plane displacements near a crack can significantly affect the structural response of the shell, and the stress-intensity factors associated with a crack that are used to predict residual strength. The effects of representative combined loading conditions on the stress-intensity factors associated with a crack are presented. The effects of varying structural parameters on the stress-intensity factors associated with a crack, and on self-similar and non-self-similar crack-growth are also presented.

Block coordination copolymers

DOEpatents

Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R

2014-11-11

The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

Evaluating the Health of Your House.

ERIC Educational Resources Information Center

Berthold-Bond, Annie; Dadd, Debra Lynn

1993-01-01

Presents a framework from which individuals can evaluate the health environment in their homes. Questions are arranged to examine the general location of the house, the house's immediate surroundings and building shell, and the finishings. Provides a resource directory for air filters, building consultants, and building supplies. (MDH)

Block coordination copolymers

DOEpatents

Koh, Kyoung Moo; Wong-Foy, Antek G.; Matzger, Adam J.; Benin, Annabelle I.; Willis, Richard R.

2012-12-04

The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

Block coordination copolymers

DOEpatents

Koh, Kyoung Moo; Wong-Foy, Antek G; Matzger, Adam J; Benin, Annabelle I; Willis, Richard R

2012-11-13

The present invention provides compositions of crystalline coordination copolymers wherein multiple organic molecules are assembled to produce porous framework materials with layered or core-shell structures. These materials are synthesized by sequential growth techniques such as the seed growth technique. In addition, the invention provides a simple procedure for controlling functionality.

SYMPLECTIC INVARIANTS AND FLOWERS' CLASSIFICATION OF SHELL MODEL STATES

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

Helmers, K.

1961-01-01

Flowers has given a classification of shell model states in j-j coupling for a fixed number of nucleons in a shell with respect to a symplectic group. The relation between these classifications for the various nucleon numbers is studied and is found to be governed by another symplectic group, the transformations of which in general change the nucleon number. (auth)

Charge symmetry breaking in light Λ hypernuclei

NASA Astrophysics Data System (ADS)

Gal, Avraham; Gazda, Daniel

2018-02-01

Charge symmetry breaking (CSB) is particularly strong in the A = 4 mirror hypernuclei {}14\\text{H}-Λ 4\\text{He}. Recent four-body no-core shell model calculations that confront this CSB by introducing Λ-Σ0 mixing to leading-order chiral effective field theory hyperon-nucleon potentials are reviewed, and a shell-model approach to CSB in p-shell Λ hypernuclei is outlined.

Applicability of the Continuum-Shell Theories to the Mechanics of Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Harik, V. M.; Gates, T. S.; Nemeth, M. P.

2002-01-01

Validity of the assumptions relating the applicability of continuum shell theories to the global mechanical behavior of carbon nanotubes is examined. The present study focuses on providing a basis that can be used to qualitatively assess the appropriateness of continuum-shell models for nanotubes. To address the effect of nanotube structure on their deformation, all nanotube geometries are divided into four major classes that require distinct models. Criteria for the applicability of continuum models are presented. The key parameters that control the buckling strains and deformation modes of these classes of nanotubes are determined. In an analogy with continuum mechanics, mechanical laws of geometric similitude are presented. A parametric map is constructed for a variety of nanotube geometries as a guide for the applicability of different models. The continuum assumptions made in representing a nanotube as a homogeneous thin shell are analyzed to identify possible limitations of applying shell theories and using their bifurcation-buckling equations at the nano-scale.

Projected shell model study on nuclei near the N = Z line

NASA Astrophysics Data System (ADS)

Sun, Y.

2003-04-01

Study of the N ≈ Z nuclei in the mass-80 region is not only interesting due to the existence of abundant nuclear-structure phenomena, but also important in understanding the nucleosynthesis in the rp-process. It is difficult to apply a conventional shell model due to the necessary involvement of the g 9/2 sub-shell. In this paper, the projected shell model is introduced to this study. Calculations are systematically performed for the collective levels as well as the quasi-particle excitations. It is demonstrated that calculations with this truncation scheme can achieve a comparable quality as the large-scale shell model diagonalizations for 48 Cr, but the present method can be applied to much heavier mass regions. While the known experimental data of the yrast bands in the N ≈ Z nuclei (from Se to Ru) are reasonably described, the present calculations predict the existence of high- K states, some of which lie low in energy under certain structure conditions.

Beta delayed neutrons for nuclear structure and astrophysics

NASA Astrophysics Data System (ADS)

Grzywacz, Robert

2014-09-01

Beta-delayed neutron emission (β xn) is a significant or even dominant decay channel for the majority of very neutron-rich nuclei, especially for those on the r-process path. The recent theoretical models predicts that it may play more significant role then previously expected for astrophysics and this realization instigated a renewed experimental interest in this topic as a part of a larger scope of research on beta-decay strength distribution. Because studies of the decay strength directly probe relevant physics on the microscopic level, energy-resolved measurements of the beta-decay strength distribution is a better test of nuclear models than traditionally used experimental observables like half-lives and neutron branching ratios. A new detector system called the Versatile Array of Neutron Detectors at Low Energy (VANDLE) was constructed to directly address this issue. In its first experimental campaign at the Holifield Radioactive Ion Beam Facility neutron energy spectra in key regions of the nuclear chart were measured: near the shell closures at 78Ni and 132Sn, and for the deformed nuclei near 100Rb. In several cases, unexpectedly intense and concentrated, resonant-like, high-energy neutron structures were observed. These results were interpreted within shell model framework which clearly indicated that these neutron emission is driven by nuclear structure effects and are due to large Gamow-Teller type transition matrix elements. This research was sponsored in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Cooperative Agreement No. DE-FG52-08NA28552.

Statistical mechanics of shell models for two-dimensional turbulence

NASA Astrophysics Data System (ADS)

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

1994-12-01

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

Nuclear deformation in the laboratory frame

NASA Astrophysics Data System (ADS)

Gilbreth, C. N.; Alhassid, Y.; Bertsch, G. F.

2018-01-01

We develop a formalism for calculating the distribution of the axial quadrupole operator in the laboratory frame within the rotationally invariant framework of the configuration-interaction shell model. The calculation is carried out using a finite-temperature auxiliary-field quantum Monte Carlo method. We apply this formalism to isotope chains of even-mass samarium and neodymium nuclei and show that the quadrupole distribution provides a model-independent signature of nuclear deformation. Two technical advances are described that greatly facilitate the calculations. The first is to exploit the rotational invariance of the underlying Hamiltonian to reduce the statistical fluctuations in the Monte Carlo calculations. The second is to determine quadruple invariants from the distribution of the axial quadrupole operator in the laboratory frame. This allows us to extract effective values of the intrinsic quadrupole shape parameters without invoking an intrinsic frame or a mean-field approximation.

Hierarchic models for laminated plates. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Actis, Ricardo Luis

1991-01-01

Structural plates and shells are three-dimensional bodies, one dimension of which happens to be much smaller than the other two. Thus, the quality of a plate or shell model must be judged on the basis of how well its exact solution approximates the corresponding three-dimensional problem. Of course, the exact solution depends not only on the choice of the model but also on the topology, material properties, loading and constraints. The desired degree of approximation depends on the analyst's goals in performing the analysis. For these reasons models have to be chosen adaptively. Hierarchic sequences of models make adaptive selection of the model which is best suited for the purposes of a particular analysis possible. The principles governing the formulation of hierarchic models for laminated plates are presented. The essential features of the hierarchic models described models are: (1) the exact solutions corresponding to the hierarchic sequence of models converge to the exact solution of the corresponding problem of elasticity for a fixed laminate thickness; and (2) the exact solution of each model converges to the same limit as the exact solution of the corresponding problem of elasticity with respect to the laminate thickness approaching zero. The formulation is based on one parameter (beta) which characterizes the hierarchic sequence of models, and a set of constants whose influence was assessed by a numerical sensitivity study. The recommended selection of these constants results in the number of fields increasing by three for each increment in the power of beta. Numerical examples analyzed with the proposed sequence of models are included and good correlation with the reference solutions was found. Results were obtained for laminated strips (plates in cylindrical bending) and for square and rectangular plates with uniform loading and with homogeneous boundary conditions. Cross-ply and angle-ply laminates were evaluated and the results compared with those of MSC/PROBE. Hierarchic models make the computation of any engineering data possible to an arbitrary level of precision within the framework of the theory of elasticity.

Modeling of thin-walled structures interacting with acoustic media as constrained two-dimensional continua

NASA Astrophysics Data System (ADS)

Rabinskiy, L. N.; Zhavoronok, S. I.

2018-04-01

The transient interaction of acoustic media and elastic shells is considered on the basis of the transition function approach. The three-dimensional hyperbolic initial boundary-value problem is reduced to a two-dimensional problem of shell theory with integral operators approximating the acoustic medium effect on the shell dynamics. The kernels of these integral operators are determined by the elementary solution of the problem of acoustic waves diffraction at a rigid obstacle with the same boundary shape as the wetted shell surface. The closed-form elementary solution for arbitrary convex obstacles can be obtained at the initial interaction stages on the background of the so-called “thin layer hypothesis”. Thus, the shell–wave interaction model defined by integro-differential dynamic equations with analytically determined kernels of integral operators becomes hence two-dimensional but nonlocal in time. On the other hand, the initial interaction stage results in localized dynamic loadings and consequently in complex strain and stress states that require higher-order shell theories. Here the modified theory of I.N.Vekua–A.A.Amosov-type is formulated in terms of analytical continuum dynamics. The shell model is constructed on a two-dimensional manifold within a set of field variables, Lagrangian density, and constraint equations following from the boundary conditions “shifted” from the shell faces to its base surface. Such an approach allows one to construct consistent low-order shell models within a unified formal hierarchy. The equations of the N th-order shell theory are singularly perturbed and contain second-order partial derivatives with respect to time and surface coordinates whereas the numerical integration of systems of first-order equations is more efficient. Such systems can be obtained as Hamilton–de Donder–Weyl-type equations for the Lagrangian dynamical system. The Hamiltonian formulation of the elementary N th-order shell theory is here briefly described.

In-depth proteomic analysis of a mollusc shell: acid-soluble and acid-insoluble matrix of the limpet Lottia gigantea

PubMed Central

2012-01-01

Background Invertebrate biominerals are characterized by their extraordinary functionality and physical properties, such as strength, stiffness and toughness that by far exceed those of the pure mineral component of such composites. This is attributed to the organic matrix, secreted by specialized cells, which pervades and envelops the mineral crystals. Despite the obvious importance of the protein fraction of the organic matrix, only few in-depth proteomic studies have been performed due to the lack of comprehensive protein sequence databases. The recent public release of the gastropod Lottia gigantea genome sequence and the associated protein sequence database provides for the first time the opportunity to do a state-of-the-art proteomic in-depth analysis of the organic matrix of a mollusc shell. Results Using three different sodium hypochlorite washing protocols before shell demineralization, a total of 569 proteins were identified in Lottia gigantea shell matrix. Of these, 311 were assembled in a consensus proteome comprising identifications contained in all proteomes irrespective of shell cleaning procedure. Some of these proteins were similar in amino acid sequence, amino acid composition, or domain structure to proteins identified previously in different bivalve or gastropod shells, such as BMSP, dermatopontin, nacrein, perlustrin, perlucin, or Pif. In addition there were dozens of previously uncharacterized proteins, many containing repeated short linear motifs or homorepeats. Such proteins may play a role in shell matrix construction or control of mineralization processes. Conclusions The organic matrix of Lottia gigantea shells is a complex mixture of proteins comprising possible homologs of some previously characterized mollusc shell proteins, but also many novel proteins with a possible function in biomineralization as framework building blocks or as regulatory components. We hope that this data set, the most comprehensive available at present, will provide a platform for the further exploration of biomineralization processes in molluscs. PMID:22540284

Shear effects on energy dissipation from an elastic beam on a rigid foundation

DOE PAGES

Brink, Adam Ray; Quinn, D. Dane

2015-10-20

This paper describes the energy dissipation arising from microslip for an elastic shell incorporating shear and longitudinal deformation resting on a rough-rigid foundation. This phenomenon is investigated using finite element (FE) analysis and nonlinear geometrically exact shell theory. Both approaches illustrate the effect of shear within the shell and observe a reduction in the energy dissipated from microslip as compared to a similar system neglecting shear deformation. In particular, it is found that the shear deformation allows for load to be transmitted beyond the region of slip so that the entire interface contributes to the load carrying capability of themore » shell. The energy dissipation resulting from the shell model is shown to agree well with that arising from the FE model, and this representation can be used as a basis for reduced order models that capture the microslip phenomenon.« less

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

New Tooling System for Forming Aluminum Beverage Can End Shell

NASA Astrophysics Data System (ADS)

Yamazaki, Koetsu; Otsuka, Takayasu; Han, Jing; Hasegawa, Takashi; Shirasawa, Taketo

2011-08-01

This paper proposes a new tooling system for forming shells of aluminum beverage can ends. At first, forming process of a conversional tooling system has been simulated using three-dimensional finite element models. Simulation results have been confirmed to be consistent with those of axisymmetric models, so simulations for further study have been performed using axisymmetric models to save computational time. A comparison shows that thinning of the shell formed by the proposed tooling system has been improved about 3.6%. Influences of the tool upmost surface profiles and tool initial positions in the new tooling system have been investigated and the design optimization method based on the numerical simulations has been then applied to search optimum design points, in order to minimize thinning subjected to the constraints of the geometrical dimensions of the shell. At last, the performance of the shell subjected to internal pressure has been confirmed to meet design requirements.

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.

Cenosphere formation from heavy fuel oil: a numerical analysis accounting for the balance between porous shells and internal pressure

NASA Astrophysics Data System (ADS)

Reddy, Vanteru M.; Rahman, Mustafa M.; Gandi, Appala N.; Elbaz, Ayman M.; Schrecengost, Robert A.; Roberts, William L.

2016-01-01

Heavy fuel oil (HFO) as a fuel in industrial and power generation plants ensures the availability of energy at economy. Coke and cenosphere emissions from HFO combustion need to be controlled by particulate control equipment such as electrostatic precipitators, and collection effectiveness is impacted by the properties of these particulates. The cenosphere formation is a function of HFO composition, which varies depending on the source of the HFO. Numerical modelling of the cenosphere formation mechanism presented in this paper is an economical method of characterising cenosphere formation potential for HFO in comparison to experimental analysis of individual HFO samples, leading to better control and collection. In the present work, a novel numerical model is developed for understanding the global cenosphere formation mechanism. The critical diameter of the cenosphere is modelled based on the balance between two pressures developed in an HFO droplet. First is the pressure (Prpf) developed at the interface of the liquid surface and the inner surface of the accumulated coke due to the flow restriction of volatile components from the interior of the droplet. Second is the pressure due to the outer shell strength (PrC) gained from van der Walls energy of the coke layers and surface energy. In this present study it is considered that when PrC ≥ Prpf the outer shell starts to harden. The internal motion in the shell layer ceases and the outer diameter (DSOut) of the shell is then fixed. The entire process of cenosphere formation in this study is analysed in three phases: regression, shell formation and hardening, and post shell hardening. Variations in pressures during shell formation are analysed. Shell (cenosphere) dimensions are evaluated at the completion of droplet evaporation. The rate of fuel evaporation, rate of coke formation and coke accumulation are analysed. The model predicts shell outer diameters of 650, 860 and 1040 µm, and inner diameters are 360, 410 and 430 µm respectively, for 700, 900 and 1100 µm HFO droplets. The present numerical model is validated with experimental results available from the literature. Total variation between computational and experimental results is in the range of 3-7%.

An Early Instance of Upper Palaeolithic Personal Ornamentation from China: The Freshwater Shell Bead from Shuidonggou 2.

PubMed

Wei, Yi; d'Errico, Francesco; Vanhaeren, Marian; Li, Feng; Gao, Xing

2016-01-01

We report the discovery and present a detailed analysis of a freshwater bivalve from Shuidonggou Locality 2, layer CL3. This layer is located c. 40 cm below layer CL2, which has yielded numerous ostrich eggshell beads. The shell is identified as the valve of a Corbicula fluminea. Data on the occurrence of this species in the Shuidonggou region during Marine Isotope Stage 3 and taphonomic analysis, conducted in the framework of this study, of a modern biocoenosis and thanatocoenosis suggest that the archeological specimen was collected at one of the numerous fossil or sub-fossil outcrops where valves of this species were available at the time of occupation of level CL3. Experimental grinding and microscopic analysis of modern shells of the same species indicate that the Shuidonggou shell was most probably ground on coarse sandstone to open a hole on its umbo, attach a thread, and use the valve as a personal ornament. Experimental engraving of freshwater shells and microscopic analysis identify an incision crossing the archaeological valve outer surface as possible deliberate engraving. Reappraisal of the site chronology in the light of available radiocarbon evidence suggests an age of at least 34-33 cal kyr BP for layer CL3. Such estimate makes the C. fluminea recovered from CL3 one of the earliest instances of personal ornamentation and the earliest example of a shell bead from China.

Fission Dynamics with Microscopic Level Densities

DOE PAGES

Ward, D.; Carlsson, B. G.; Dossing, Th.; ...

2017-01-01

We present a consistent framework for treating the energy and angularmomentum dependence of the shape evolution in the nuclear fission. It combines microscopically calculated level densities with the Metropolis-walk method, has no new parameters, and can elucidate the energy-dependent influence of pairing and shell effects on the dynamics of warm nuclei.

All (4,1): Sigma models with (4 , q) off-shell supersymmetry

NASA Astrophysics Data System (ADS)

Hull, Chris; Lindström, Ulf

2017-03-01

Off-shell (4 , q) supermultiplets in 2-dimensions are constructed for q = 1 , 2 , 4. These are used to construct sigma models whose target spaces are hyperkähler with torsion. The off-shell supersymmetry implies the three complex structures are simultaneously integrable and allows us to construct actions using extended superspace and projective superspace, giving an explicit construction of the target space geometries.

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.

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

PubMed Central

Mallette, Evan

2017-01-01

Bacterial microcompartments are bacterial analogs of eukaryotic organelles in that they spatially segregate aspects of cellular metabolism, but they do so by building not a lipid membrane but a thin polyhedral protein shell. Although multiple shell protein structures are known for several microcompartment types, additional uncharacterized components complicate systematic investigations of shell architecture. We report here the structures of all four proteins proposed to form the shell of an uncharacterized microcompartment designated the Rhodococcus and Mycobacterium microcompartment (RMM), which, along with crystal interactions and docking studies, suggests possible models for the particle's vertex and edge organization. MSM0272 is a typical hexameric β-sandwich shell protein thought to form the bulk of the facet. MSM0273 is a pentameric β-barrel shell protein that likely plugs the vertex of the particle. MSM0271 is an unusual double-ringed bacterial microcompartment shell protein whose rings are organized in an offset position relative to all known related proteins. MSM0275 is related to MSM0271 but self-organizes as linear strips that may line the facet edge; here, the presence of a novel extendable loop may help ameliorate poor packing geometry of the rigid main particle at the angled edges. In contrast to previously characterized homologs, both of these proteins show closed pores at both ends. This suggests a model where key interactions at the vertex and edges are mediated at the inner layer of the shell by MSM0271 (encircling MSM0273) and MSM0275, and the facet is built from MSM0272 hexamers tiling in the outer layer of the shell. PMID:27927988

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

PubMed

Mallette, Evan; Kimber, Matthew S

2017-01-27

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

Modeling the Electrostatics of Hollow Shell Suspensions: Ion Distribution, Pair Interactions, and Many-Body Effects.

PubMed

Hallez, Yannick; Meireles, Martine

2016-10-11

Electrostatic interactions play a key role in hollow shell suspensions as they determine their structure, stability, thermodynamics, and rheology and also the loading capacity of small charged species for nanoreservoir applications. In this work, fast, reliable modeling strategies aimed at predicting the electrostatics of hollow shells for one, two, and many colloids are proposed and validated. The electrostatic potential inside and outside a hollow shell with a finite thickness and a specific permittivity is determined analytically in the Debye-Hückel (DH) limit. An expression for the interaction potential between two such hollow shells is then derived and validated numerically. It follows a classical Yukawa form with an effective charge depending on the shell geometry, permittivity, and inner and outer surface charge densities. The predictions of the Ornstein-Zernike (OZ) equation with this pair potential to determine equations of state are then evaluated by comparison to results obtained with a Brownian dynamics algorithm coupled to the resolution of the linearized Poisson-Boltzmann and Laplace equations (PB-BD simulations). The OZ equation based on the DLVO-like potential performs very well in the dilute regime as expected, but also quite well, and more surprisingly, in the concentrated regime in which full spheres exhibit significant many-body effects. These effects are shown to vanish for shells with small thickness and high permittivity. For highly charged hollow shells, we propose and validate a charge renormalization procedure. Finally, using PB-BD simulations, we show that the cell model predicts the ion distribution inside and outside hollow shells accurately in both electrostatically dilute and concentrated suspensions. We then determine the shell loading capacity as a function of salt concentration, volume fraction, and surface charge density for nanoreservoir applications such as drug delivery, sensing, or smart coatings.

Modeling and simulation in biomedicine.

PubMed Central

Aarts, J.; Möller, D.; van Wijk van Brievingh, R.

1991-01-01

A group of researchers and educators in The Netherlands, Germany and Czechoslovakia have developed and adapted mathematical computer models of phenomena in the field of physiology and biomedicine for use in higher education. The models are graphical and highly interactive, and are all written in TurboPascal or the mathematical simulation language PSI. An educational shell has been developed to launch the models. The shell allows students to interact with the models and teachers to edit the models, to add new models and to monitor the achievements of the students. The models and the shell have been implemented on a MS-DOS personal computer. This paper describes the features of the modeling package and presents the modeling and simulation of the heart muscle as an example. PMID:1807745

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.

On sound transmission into a stiffened cylindrical shell with rings and stringers treated as discrete elements

NASA Technical Reports Server (NTRS)

Koval, L. R.

1980-01-01

In the context of the transmission of airborne noise into an aircraft fuselage, a mathematical model is presented for the transmission of an oblique plane sound wave into a finite cylindrical shell stiffened by stringers and ring frames. The rings and stringers are modeled as discrete structural elements. The numerical case studied was typical of a narrow-bodied jet transport fuselage. The numerical results show that the ring-frequency dip in the transmission loss curve that is present for a monocoque shell is still present in the case of a stiffened shell. The ring frequency effect is a result of the cylindrical geometry of the shell. Below the ring frequency, stiffening does not appear to have any significant effect on transmission loss, but above the ring frequency, stiffeners can enhance the transmission loss of a cylindrical shell.

Microbubble Sizing and Shell Characterization Using Flow Cytometry

PubMed Central

Tu, Juan; Swalwell, Jarred E.; Giraud, David; Cui, Weicheng; Chen, Weizhong; Matula, Thomas J.

2015-01-01

Experiments were performed to size, count, and obtain shell parameters for individual ultrasound contrast microbubbles using a modified flow cytometer. Light scattering was modeled using Mie theory, and applied to calibration beads to calibrate the system. The size distribution and population were measured directly from the flow cytometer. The shell parameters (shear modulus and shear viscosity) were quantified at different acoustic pressures (from 95 to 333 kPa) by fitting microbubble response data to a bubble dynamics model. The size distribution of the contrast agent microbubbles is consistent with manufacturer specifications. The shell shear viscosity increases with increasing equilibrium microbubble size, and decreases with increasing shear rate. The observed trends are independent of driving pressure amplitude. The shell elasticity does not vary with microbubble size. The results suggest that a modified flow cytometer can be an effective tool to characterize the physical properties of microbubbles, including size distribution, population, and shell parameters. PMID:21622051

Multi-shell model of ion-induced nucleic acid condensation

NASA Astrophysics Data System (ADS)

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

2016-04-01

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

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

Yust, B.L.

The relationship between fuels used by households in a rural region of Leyte Province, the Philippines, and the variables that can affect the type and amount of fuel used were examined. Data were drawn from interviews conducted in a previous study with 150 female heads of households from 10 villages near Baybay, Leyte. Within a family-ecosystem framework, a multiple regression model was developed to identify predictors of fuel use in the households. Inputs to the system included the following independent variables representing aspects of household environments; (1) natural--geographic location of the village, (2) technical--cook stove and equipment ownership, (3) economic--distancemore » to fuel sources and number of hectares of land owned, and (4) cultural-cooking fuel preference. Two regression equations were developed. The first used as the dependent variable the number of units of each of four specific fuels used in the household in one week: wood, coconut fronds, and coconut shells, and coconut husks with shells. The second used as the dependent variable an aggregate measure, barrel oil equivalent (boe), of the quantity of all fuels used in the household in one week. The households in this study were primarily dependent on biomass fuels gathered by family members; a limited quantity of commercial fuels was used.« less

Quasi-static axisymmetric eversion hemispherical domes made of elastomers

NASA Astrophysics Data System (ADS)

Kabrits, Sergey A.; Kolpak, Eugeny P.

2016-06-01

The paper considers numerical solution for the problem of quasi-static axisymmetric eversion of a spherical shell (hemisphere) under action of external pressure. Results based on the general nonlinear theory of shells made of elastomers, proposed by K. F. Chernykh. It is used two models of shells based on the hypotheses of the Kirchhoff and Timoshenko, modified K.F. Chernykh for the case of hyperelastic rubber-like material. The article presents diagrams of equilibrium states of eversion hemispheres for both models as well as the shape of the shell at different points in the diagram.

Nonlinear analysis of damaged stiffened fuselage shells subjected to combined loads

NASA Technical Reports Server (NTRS)

Starnes, James H., Jr.; Britt, Vicki O.; Young, Richard D.; Rankin, Charles C.; Shore, Charles P.; Bains, Jane C.

1994-01-01

The results of an analytical study of the nonlinear response of stiffened fuselage shells with long cracks are presented. The shells are modeled with a hierarchical modeling strategy that accounts for global and local response phenomena accurately. Results are presented for internal pressure and mechanical bending loads. The effects of crack location and orientation on shell response are described. The effects of mechanical fasteners on the response of a lap joint and the effects of elastic and elastic-plastic material properties on the buckling response of tension-loaded flat panels with cracks are also addressed.

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.

Efficacy of antimicrobials extracted from organic pecan shell for inhibiting the growth of Listeria spp.

PubMed

Babu, Dinesh; Crandall, Philip G; Johnson, Casey L; O'Bryan, Corliss A; Ricke, Steven C

2013-12-01

Growers and processors of USDA certified organic foods are in need of suitable organic antimicrobials. The purpose of the research reported here was to develop and test natural antimicrobials derived from an all-natural by-product, organic pecan shells. Unroasted and roasted organic pecan shells were subjected to solvent free extraction to produce antimicrobials that were tested against Listeria spp. and L. monocytogenes serotypes to determine the minimum inhibitory concentrations (MIC) of antimicrobials. The effectiveness of pecan shell extracts were further tested using a poultry skin model system and the growth inhibition of the Listeria cells adhered onto the skin model were quantified. The solvent free extracts of pecan shells inhibited Listeria strains at MICs as low as 0.38%. The antimicrobial effectiveness tests on a poultry skin model exhibited nearly a 2 log reduction of the inoculated cocktail mix of Listeria strains when extracts of pecan shell powder were used. The extracts also produced greater than a 4 log reduction of the indigenous spoilage bacteria on the chicken skin. Thus, the pecan shell extracts may prove to be very effective alternative antimicrobials against food pathogens and supplement the demand for effective natural antimicrobials for use in organic meat processing. © 2013 Institute of Food Technologists®

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

NASA Technical Reports Server (NTRS)

Delale, F.; Erdogan, F.

1982-01-01

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

Cu2O-directed in situ growth of Au nanoparticles inside HKUST-1 nanocages.

PubMed

Liu, Yongxin; Liu, Ting; Tian, Long; Zhang, Linlin; Yao, Lili; Tan, Taixing; Xu, Jin; Han, Xiaohui; Liu, Dan; Wang, Cheng

2016-12-07

Controllable integration of metal nanoparticles (MNPs) and metal-organic frameworks (MOFs) is attracting considerable attention as the obtained composite materials always show synergistic effects in applications of catalysis, delivery, as well as sensing. Herein, a Cu 2 O-directed in situ growth strategy was developed to integrate Au nanoparticles and HKUST-1. In this strategy, Cu 2 O@HKUST-1 core-shell heterostructures, HKUST-1 nanocages, Cu 2 O@Au@HKUST-1 sandwich core-shell heterostructures and Au@HKUST-1 balls-in-cage heterostructures were successfully synthesized. Cu 2 O@HKUST-1 core-shell heterostructures were synthesized by soaking Cu 2 O nanocrystals in benzene-1,3,5-tricarboxylic acid solution. The well-defined Cu 2 O@HKUST-1 core-shell heterostructures were demonstrated to be dominated by the ratio of Cu 2+ cations to btc 3- ligands in solution during the period of HKUST-1 formation. Cu 2 O@Au@HKUST-1 sandwich core-shell or Au@HKUST-1 balls-in-cage heterostructures were obtained by impregnating HAuCl 4 into Cu 2 O@HKUST-1 core-shell heterostructures. Due to the porosity of HKUST-1 and reducibility of Cu 2 O, HAuCl 4 could pass through the HKUST-1 shell and be reduced by the Cu 2 O core in situ forming Au nanoparticles. Finally, CO oxidation reaction at high temperatures was carried out to assess the catalytic functionality of the obtained composite heterostructures. This strategy can circumvent some drawbacks of the existing approaches for integrating MNPs and MOFs, such as nonselective deposition of MNPs at the outer surface of the MOF matrices, extreme treatment conditions and additional surface modifications.

All (4,0): Sigma models with (4,0) off-shell supersymmetry

NASA Astrophysics Data System (ADS)

Hull, Chris; Lindström, Ulf

2017-08-01

Off-shell (4, 0) supermultiplets in 2-dimensions are formulated. These are used to construct sigma models whose target spaces are vector bundles over manifolds that are hyperkähler with torsion. The off-shell supersymmetry implies that the complex structures are simultaneously integrable and allows us to write actions using extended superspace and projective superspace, giving an explicit construction of the target space geometries.

Finite Element Modeling of the Buckling Response of Sandwich Panels

NASA Technical Reports Server (NTRS)

Rose, Cheryl A.; Moore, David F.; Knight, Norman F., Jr.; Rankin, Charles C.

2002-01-01

A comparative study of different modeling approaches for predicting sandwich panel buckling response is described. The study considers sandwich panels with anisotropic face sheets and a very thick core. Results from conventional analytical solutions for sandwich panel overall buckling and face-sheet-wrinkling type modes are compared with solutions obtained using different finite element modeling approaches. Finite element solutions are obtained using layered shell element models, with and without transverse shear flexibility, layered shell/solid element models, with shell elements for the face sheets and solid elements for the core, and sandwich models using a recently developed specialty sandwich element. Convergence characteristics of the shell/solid and sandwich element modeling approaches with respect to in-plane and through-the-thickness discretization, are demonstrated. Results of the study indicate that the specialty sandwich element provides an accurate and effective modeling approach for predicting both overall and localized sandwich panel buckling response. Furthermore, results indicate that anisotropy of the face sheets, along with the ratio of principle elastic moduli, affect the buckling response and these effects may not be represented accurately by analytical solutions. Modeling recommendations are also provided.

Global Curvature Buckling and Snapping of Spherical Shells.

NASA Astrophysics Data System (ADS)

Pezzulla, Matteo; Stoop, Norbert; Steranka, Mark; Bade, Abdikhalaq; Trejo, Miguel; Holmes, Douglas

A spherical shell under external pressure will eventually buckle locally through the development of a dimple. However, when a free spherical shell is subject to variations in natural curvature, it will either buckle globally or snap towards a buckled configuration. We study the similarities and differences between pressure and curvature instabilities in spherical shells. We show how the critical buckling natural curvature is largely independent of the thinness and half-angle of the shell, while the critical snapping natural curvature grows linearly with the half-angle. As a result, we demonstrate how a critical half-angle, depending only on the thinness of the shell, sets the threshold between two different kinds of snapping: as a rule of thumb, shallow shells snap into everted shells, while deep shells snap into buckled shells. As the developed models are purely geometrical, the results are applicable to a large variety of stimuli and scales. NSF CAREER CMMI-1454153.

Silica-Coated Core-Shell Structured Polystyrene Nanospheres and Their Size-Dependent Mechanical Properties.

PubMed

Cao, Xu; Pan, Guoshun; Huang, Peng; Guo, Dan; Xie, Guoxin

2017-08-22

The core-shell structured PS/SiO 2 composite nanospheres were synthesized on the basis of a modified Stöber method. The mechanical properties of monodisperse nanospheres were characterized with nanoindentation on the basis of the atomic force microscopy (AFM). The surface morphologies of PS/SiO 2 composite nanospheres was scanned with the tapping mode of AFM, and the force-distance curves were measured with the contact mode of AFM. Different contact models were compared for the analyses of experimental data. The elastic moduli of PS/SiO 2 composite nanosphere (4-40 GPa) and PS nanosphere (∼3.4 GPa) were obtained with the Hertz and Johnson-Kendall-Roberts (JKR) models, respectively, and the JKR model was proven to be more appropriate for calculating the elastic modulus of PS/SiO 2 nanospheres. The elastic modulus of SiO 2 shell gradually approached a constant value (∼46 GPa) with the increase of SiO 2 shell thickness. A core-shell model was proposed for describing the relationship between PS/SiO 2 composite nanosphere's elastic modulus and shell thickness. The mechanical properties of the composite nanospheres were reasonably explained on the basis of the growth mechanism of PS/SiO 2 composite nanospheres, in particular the SiO 2 shell's formation process. Available research data of PS/SiO 2 composite nanospheres in this work can provide valuable guidance for their effective application in surface engineering, micro/nanomanufacturing, lubrication, and so on.

Plume Activity and Tidal Deformation on Enceladus Influenced by Faults and Variable Ice Shell Thickness

NASA Astrophysics Data System (ADS)

Běhounková, Marie; Souček, Ondřej; Hron, Jaroslav; Čadek, Ondřej

2017-09-01

We investigated the effect of variations in ice shell thickness and of the tiger stripe fractures crossing Enceladus' south polar terrain on the moon's tidal deformation by performing finite element calculations in three-dimensional geometry. The combination of thinning in the polar region and the presence of faults has a synergistic effect that leads to an increase of both the displacement and stress in the south polar terrain by an order of magnitude compared to that of the traditional model with a uniform shell thickness and without faults. Assuming a simplified conductive heat transfer and neglecting the heat sources below the ice shell, we computed the global heat budget of the ice shell. For the inelastic properties of the shell described by a Maxwell viscoelastic model, we show that unrealistically low average viscosity of the order of 10^{13} Pa s is necessary for preserving the volume of the ocean, suggesting the important role of the heat sources in the deep interior. Similarly, low viscosity is required to predict the observed delay of the plume activity, which hints at other delaying mechanisms than just the viscoelasticity of the ice shell. The presence of faults results in large spatial and temporal heterogeneity of geysering activity compared to the traditional models without faults. Our model contributes to understanding the physical mechanisms that control the fault activity, and it provides potentially useful information for future missions that will sample the plume for evidence of life.

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.

Probing the pre-PN Mass Loss Histories in the PPN Dust Shells

NASA Astrophysics Data System (ADS)

Ueta, T.

2001-12-01

Proto-planetary nebulae (PPNs) are immediate progenitors of planetary nebulae (PNs) rapidly evolving over a relatively short time scale. Unlike the full-fledged PNs, the circumstellar dust shells of PPNs have neither been photo-ionized nor been swept up by fast winds. Since the PPN shells retain pristine fossil records of mass loss histories of these stars during the pre-PN phases, these dust shells provide ideal astronomical laboratories in which to investigate the origin of complex PN structures that we observe. We have conducted imaging surveys of the PPN shells in mid-infrared and optical wavelengths, probing the dust distribution directly via mid-infrared thermal dust emission arising from the shells and indirectly via dust-scattered stellar optical emission passing through the shells. From these surveys, we have found that (1) the PPN shells are intrinsically axisymmetric due to equatorially-enhanced superwind mass loss that occurred immediately before the beginning of the PPN phase, and (2) the variable degree of equatorial enhancement in the shells, which is probably related to the progenitor mass, has resulted in different optical depths and morphologies. To characterize the PPN shell geometries, we have developed and employed a 2.5 dimensional radiative transfer code that treats dust absorption, reemission, and an/isotropic scattering in any axisymmetric system illuminated by a central energy source. In the code, the dust optical properties are derived from the laboratory-measured refractive index using Mie theory allowing a distribution of sizes for each species in each composition layer in the shell. Our numerical analysis would be able to de-project and recover 3-D geometrical quantities, such as the pole-to-equator density ratio, from the observational data. These model calculations would provide constraining parameters for hydrodynamical models intended to generate equatorial enhancements during dust mass loss as well as initial parameters for magneto-hydrodynamical models aimed to reproduce highly complex PN morphologies.

A non-LTE kinetic model for quick analysis of K-shell spectra from Z-pinch plasmas

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

Li, J., E-mail: s.duan@163.com; Huang, X. B., E-mail: s.duan@163.com; Cai, H. C., E-mail: s.duan@163.com

Analyzing and modeling K-shell spectra emitted by low-to moderate-atomic number plasma is a useful and effective way to retrieve temperature density of z-pinch plasmas. In this paper, a non-LTE population kinetic model for quick analysis of K-shell spectra was proposed. The model contains ionization stages from bare nucleus to neutral atoms and includes all the important atomic processes. In the present form of the model, the plasma is assumed to be both optically thin and homogeneous with constant temperature and density, and only steady-state situation is considered. According to the detailed calculations for aluminum plasmas, contours of ratios of certainmore » K-shell lines in electron temperature and density plane as well as typical synthesized spectra were presented and discussed. The usefulness of the model is demonstrated by analyzing the spectrum from a neon gas-puff Z-pinch experiment performed on a 1 MA pulsed-power accelerator.« less

Plume Activity and Tidal Deformation on Enceladus Influenced by Faults and Variable Ice Shell Thickness

PubMed Central

Souček, Ondřej; Hron, Jaroslav; Čadek, Ondřej

2017-01-01

Abstract We investigated the effect of variations in ice shell thickness and of the tiger stripe fractures crossing Enceladus' south polar terrain on the moon's tidal deformation by performing finite element calculations in three-dimensional geometry. The combination of thinning in the polar region and the presence of faults has a synergistic effect that leads to an increase of both the displacement and stress in the south polar terrain by an order of magnitude compared to that of the traditional model with a uniform shell thickness and without faults. Assuming a simplified conductive heat transfer and neglecting the heat sources below the ice shell, we computed the global heat budget of the ice shell. For the inelastic properties of the shell described by a Maxwell viscoelastic model, we show that unrealistically low average viscosity of the order of 1013 Pa s is necessary for preserving the volume of the ocean, suggesting the important role of the heat sources in the deep interior. Similarly, low viscosity is required to predict the observed delay of the plume activity, which hints at other delaying mechanisms than just the viscoelasticity of the ice shell. The presence of faults results in large spatial and temporal heterogeneity of geysering activity compared to the traditional models without faults. Our model contributes to understanding the physical mechanisms that control the fault activity, and it provides potentially useful information for future missions that will sample the plume for evidence of life. Key Words: Enceladus—Tidal deformation—Faults—Variable ice shell thickness—Tidal heating—Plume activity and timing. Astrobiology 17, 941–954. PMID:28816521

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

Hansen, Stephanie B.; Harding, Eric C.; Knapp, Patrick F.

The burning core of an inertial confinement fusion (ICF) plasma produces bright x-rays at stagnation that can directly diagnose core conditions essential for comparison to simulations and understanding fusion yields. These x-rays also backlight the surrounding shell of warm, dense matter, whose properties are critical to understanding the efficacy of the inertial confinement and global morphology. In this work, we show that the absorption and fluorescence spectra of mid-Z impurities or dopants in the warm dense shell can reveal the optical depth, temperature, and density of the shell and help constrain models of warm, dense matter. This is illustrated bymore » the example of a high-resolution spectrum collected from an ICF plasma with a beryllium shell containing native iron impurities. Lastly, analysis of the iron K-edge provides model-independent diagnostics of the shell density (2.3 × 10 24 e/cm 3) and temperature (10 eV), while a 12-eV red shift in Kβ and 5-eV blue shift in the K-edge discriminate among models of warm dense matter: Both shifts are well described by a self-consistent field model based on density functional theory but are not fully consistent with isolated-atom models using ad-hoc density effects.« less

Fluorescence and absorption spectroscopy for warm dense matter studies and ICF plasma diagnostics

NASA Astrophysics Data System (ADS)

Hansen, S. B.; Harding, E. C.; Knapp, P. F.; Gomez, M. R.; Nagayama, T.; Bailey, J. E.

2018-05-01

The burning core of an inertial confinement fusion (ICF) plasma produces bright x-rays at stagnation that can directly diagnose core conditions essential for comparison to simulations and understanding fusion yields. These x-rays also backlight the surrounding shell of warm, dense matter, whose properties are critical to understanding the efficacy of the inertial confinement and global morphology. We show that the absorption and fluorescence spectra of mid-Z impurities or dopants in the warm dense shell can reveal the optical depth, temperature, and density of the shell and help constrain models of warm, dense matter. This is illustrated by the example of a high-resolution spectrum collected from an ICF plasma with a beryllium shell containing native iron impurities. Analysis of the iron K-edge provides model-independent diagnostics of the shell density (2.3 × 1024 e/cm3) and temperature (10 eV), while a 12-eV red shift in Kβ and 5-eV blue shift in the K-edge discriminate among models of warm dense matter: Both shifts are well described by a self-consistent field model based on density functional theory but are not fully consistent with isolated-atom models using ad-hoc density effects.

Biomimetic mineralization of metal-organic frameworks as protective coatings for biomacromolecules

NASA Astrophysics Data System (ADS)

Liang, Kang; Ricco, Raffaele; Doherty, Cara M.; Styles, Mark J.; Bell, Stephen; Kirby, Nigel; Mudie, Stephen; Haylock, David; Hill, Anita J.; Doonan, Christian J.; Falcaro, Paolo

2015-06-01

Enhancing the robustness of functional biomacromolecules is a critical challenge in biotechnology, which if addressed would enhance their use in pharmaceuticals, chemical processing and biostorage. Here we report a novel method, inspired by natural biomineralization processes, which provides unprecedented protection of biomacromolecules by encapsulating them within a class of porous materials termed metal-organic frameworks. We show that proteins, enzymes and DNA rapidly induce the formation of protective metal-organic framework coatings under physiological conditions by concentrating the framework building blocks and facilitating crystallization around the biomacromolecules. The resulting biocomposite is stable under conditions that would normally decompose many biological macromolecules. For example, urease and horseradish peroxidase protected within a metal-organic framework shell are found to retain bioactivity after being treated at 80 °C and boiled in dimethylformamide (153 °C), respectively. This rapid, low-cost biomimetic mineralization process gives rise to new possibilities for the exploitation of biomacromolecules.

Buckling Imperfection Sensitivity of Axially Compressed Orthotropic Cylinders

NASA Technical Reports Server (NTRS)

Schultz, Marc R.; Nemeth, Michael P.

2010-01-01

Structural stability is a major consideration in the design of lightweight shell structures. However, the theoretical predictions of geometrically perfect structures often considerably over predict the buckling loads of inherently imperfect real structures. It is reasonably well understood how the shell geometry affects the imperfection sensitivity of axially compressed cylindrical shells; however, the effects of shell anisotropy on the imperfection sensitivity is less well understood. In the present paper, the development of an analytical model for assessing the imperfection sensitivity of axially compressed orthotropic cylinders is discussed. Results from the analytical model for four shell designs are compared with those from a general-purpose finite-element code, and good qualitative agreement is found. Reasons for discrepancies are discussed, and potential design implications of this line of research are discussed.

Chaotic and regular instantons in helical shell models of turbulence

NASA Astrophysics Data System (ADS)

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

2017-03-01

Shell models of turbulence have a finite-time blowup in the inviscid limit, i.e., the enstrophy diverges while the single-shell velocities stay finite. The signature of this blowup is represented by self-similar instantonic structures traveling coherently through the inertial range. These solutions might influence the energy transfer and the anomalous scaling properties empirically observed for the forced and viscous models. In this paper we present a study of the instantonic solutions for a set of four shell models of turbulence based on the exact decomposition of the Navier-Stokes equations in helical eigenstates. We find that depending on the helical structure of each model, instantons are chaotic or regular. Some instantonic solutions tend to recover mirror symmetry for scales small enough. Models that have anomalous scaling develop regular nonchaotic instantons. Conversely, models that have nonanomalous scaling in the stationary regime are those that have chaotic instantons. The direction of the energy carried by each single instanton tends to coincide with the direction of the energy cascade in the stationary regime. Finally, we find that whenever the small-scale stationary statistics is intermittent, the instanton is less steep than the dimensional Kolmogorov scaling, independently of whether or not it is chaotic. Our findings further support the idea that instantons might be crucial to describe some aspects of the multiscale anomalous statistics of shell models.

In situ fabrication of ZnO@N-doped nanoporous carbon core-shell heterostructures with high photocatalytic and adsorption capacity by a calcination of ZnO@MOF strategy

NASA Astrophysics Data System (ADS)

Qi, Qi; Liu, Sujuan; Li, Xing; Kong, Chunlong; Guo, Zhiyong; Chen, Liang

2017-11-01

This report describes the controllable encapsulation of ZnO nanoparticles with N-doped nanoporous carbon (N-NpC) via a simple fabrication and calcination of ZnO@ZIF-8 (zeolitic imidazolate framework). In the fabrication of ZnO@ZIF-8, ZnO was used both as the support and Zn source for the formation of ZIF-8. After calcination under N2 atmosphere, the ZnO@N-NpC core-shell heterostructures were formed and characterized by IR, UV-vis, XRD, XPS, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). As expected, the well-defined ZnO@N-NpC core-shell nanospheres demonstrated distinct photocatalytic activity and adsorption capacity in response to the dye methylene blue (MB) in aqueous solution, and the degradation efficiency of MB is up to 99% under UV irradiation for 20 min after catalysts were reused for 5 cycles and stored for two months. Therefore, it is reasonable to believe that the ZnO@N-NpC core-shell heterostructures are new-type nanomaterials for photodegradation of the organic pollutants from wastewater.

Semiconductor@metal-organic framework core-shell heterostructures: a case of ZnO@ZIF-8 nanorods with selective photoelectrochemical response.

PubMed

Zhan, Wen-wen; Kuang, Qin; Zhou, Jian-zhang; Kong, Xiang-jian; Xie, Zhao-xiong; Zheng, Lan-sun

2013-02-06

Metal-organic frameworks (MOFs) and related material classes are attracting considerable attention for their applications in gas storage/separation as well as catalysis. In contrast, research concerning potential uses in electronic devices (such as sensors) is in its infancy, which might be due to a great challenge in the fabrication of MOFs and semiconductor composites with well-designed structures. In this paper, we proposed a simple self-template strategy to fabricate metal oxide semiconductor@MOF core-shell heterostructures, and successfully obtained freestanding ZnO@ZIF-8 nanorods as well as vertically standing arrays (including nanorod arrays and nanotube arrays). In this synthetic process, ZnO nanorods not only act as the template but also provide Zn(2+) ions for the formation of ZIF-8. In addition, we have demonstrated that solvent composition and reaction temperature are two crucial factors for successfully fabricating well-defined ZnO@ZIF-8 heterostructures. As we expect, the as-prepared ZnO@ZIF-8 nanorod arrays display distinct photoelectrochemical response to hole scavengers with different molecule sizes (e.g., H(2)O(2) and ascorbic acid) owing to the limitation of the aperture of the ZIF-8 shell. Excitingly, such ZnO@ZIF-8 nanorod arrays were successfully applied to the detection of H(2)O(2) in the presence of serous buffer solution. Therefore, it is reasonable to believe that the semiconductor@MOFs heterostructure potentially has promising applications in many electronic devices including sensors.

Thickness Constraints on the Icy Shells of the Galilean Satellites from a Comparison of Crater Shapes

NASA Technical Reports Server (NTRS)

Schenk, Paul M.

2002-01-01

A thin outer ice shell on Jupiter's large moon Europa would imply easy exchange between the surface and any organic or biotic material in its putative subsurface ocean. The thickness of the outer ice shell is poorly constrained, however, with model-dependent estimates ranging from a few kilometers of depths of impact craters on Europa, Ganymede and Callisto that reveal two anomalous transitions in crater shape with diameter. The first transition is probably related to temperature-dependent ductility of the crust at shallow depths (7-8 km on Europa). The second transition is attributed to the influence of subsurface oceans on all three satellites, which constrains Europa's icy shell to be at least 19 km thick. The icy lithospheres of Ganymede and Callisto are equally ice-rich, but Europa's icy shell has a thermal structure about 0.25-0.5 times the thickness of Ganymede's or Callisto's shells, depending on epoch. The appearances of the craters on Europa are inconsistent with thin-ice-shell models and indicate that exchange of oceanic and surface material could be difficult.

Separative analyses of a chromatographic column packed with a core-shell adsorbent for lithium isotope separation

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

Sugiyama, T.; Sugura, K.; Enokida, Y.

2015-03-15

Lithium-6 is used as a blanket material for sufficient tritium production in DT fueled fusion reactors. A core-shell type adsorbent was proposed for lithium isotope separation by chromatography. The mass transfer model in a chromatographic column consisted of 4 steps, such as convection and dispersion in the column, transfer through liquid films, intra-particle diffusion and and adsorption or desorption at the local adsorption sites. A model was developed and concentration profiles and time variation in the column were numerically simulated. It became clear that core-shell type adsorbents with thin porous shell were saturated rapidly relatively to fully porous one andmore » established a sharp edge of adsorption band. This is very important feature because lithium isotope separation requires long-distance development of adsorption band. The values of HETP (Height Equivalent of a Theoretical Plate) for core-shell adsorbent packed column were estimated by statistical moments of the step response curve. The value of HETP decreased with the thickness of the porous shell. A core-shell type adsorbent is, then, useful for lithium isotope separation. (authors)« less

Simulations of polymorphic icosahedral shells assembling around many cargo molecules

NASA Astrophysics Data System (ADS)

Mohajerani, Farzaneh; Perlmutter, Jason; Hagan, Michael

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

Core-Shell Processing of Natural Pigment: Upper Palaeolithic Red Ochre from Lovas, Hungary.

PubMed

Sajó, István E; Kovács, János; Fitzsimmons, Kathryn E; Jáger, Viktor; Lengyel, György; Viola, Bence; Talamo, Sahra; Hublin, Jean-Jacques

2015-01-01

Ochre is the common archaeological term for prehistoric pigments. It is applied to a range of uses, from ritual burials to cave art to medications. While a substantial number of Palaeolithic paint mining pits have been identified across Europe, the link between ochre use and provenance, and their antiquity, has never yet been identified. Here we characterise the mineralogical signature of core-shell processed ochre from the Palaeolithic paint mining pits near Lovas in Hungary, using a novel integration of petrographic and mineralogical techniques. We present the first evidence for core-shell processed, natural pigment that was prepared by prehistoric people from hematitic red ochre. This involved combining the darker red outer shell with the less intensely coloured core to efficiently produce an economical, yet still strongly coloured, paint. We demonstrate the antiquity of the site as having operated between 14-13 kcal BP, during the Epigravettian period. This is based on new radiocarbon dating of bone artefacts associated with the quarry site. The dating results indicate the site to be the oldest known evidence for core-shell pigment processing. We show that the ochre mined at Lovas was exported from the site based on its characteristic signature at other archaeological sites in the region. Our discovery not only provides a methodological framework for future characterisation of ochre pigments, but also provides the earliest known evidence for "value-adding" of products for trade.

Yolk-Shelled C@Fe3 O4 Nanoboxes as Efficient Sulfur Hosts for High-Performance Lithium-Sulfur Batteries.

PubMed

He, Jiarui; Luo, Liu; Chen, Yuanfu; Manthiram, Arumugam

2017-09-01

Owing to the high theoretical specific capacity (1675 mA h g -1 ) and low cost, lithium-sulfur (Li-S) batteries offer advantages for next-generation energy storage. However, the polysulfide dissolution and low electronic conductivity of sulfur cathodes limit the practical application of Li-S batteries. To address such issues, well-designed yolk-shelled carbon@Fe 3 O 4 (YSC@Fe 3 O 4 ) nanoboxes as highly efficient sulfur hosts for Li-S batteries are reported here. With both physical entrapment by carbon shells and strong chemical interaction with Fe 3 O 4 cores, this unique architecture immobilizes the active material and inhibits diffusion of the polysulfide intermediates. Moreover, due to their high conductivity, the carbon shells and the polar Fe 3 O 4 cores facilitate fast electron/ion transport and promote continuous reactivation of the active material during the charge/discharge process, resulting in improved electrochemical utilization and reversibility. With these merits, the S/YSC@Fe 3 O 4 cathodes support high sulfur content (80 wt%) and loading (5.5 mg cm -2 ) and deliver high specific capacity, excellent rate capacity, and long cycling stability. This work provides a new perspective to design a carbon/metal-oxide-based yolk-shelled framework as a high sulfur-loading host for advanced Li-S batteries with superior electrochemical properties. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Model uncertainties of local-thermodynamic-equilibrium K-shell spectroscopy

NASA Astrophysics Data System (ADS)

Nagayama, T.; Bailey, J. E.; Mancini, R. C.; Iglesias, C. A.; Hansen, S. B.; Blancard, C.; Chung, H. K.; Colgan, J.; Cosse, Ph.; Faussurier, G.; Florido, R.; Fontes, C. J.; Gilleron, F.; Golovkin, I. E.; Kilcrease, D. P.; Loisel, G.; MacFarlane, J. J.; Pain, J.-C.; Rochau, G. A.; Sherrill, M. E.; Lee, R. W.

2016-09-01

Local-thermodynamic-equilibrium (LTE) K-shell spectroscopy is a common tool to diagnose electron density, ne, and electron temperature, Te, of high-energy-density (HED) plasmas. Knowing the accuracy of such diagnostics is important to provide quantitative conclusions of many HED-plasma research efforts. For example, Fe opacities were recently measured at multiple conditions at the Sandia National Laboratories Z machine (Bailey et al., 2015), showing significant disagreement with modeled opacities. Since the plasma conditions were measured using K-shell spectroscopy of tracer Mg (Nagayama et al., 2014), one concern is the accuracy of the inferred Fe conditions. In this article, we investigate the K-shell spectroscopy model uncertainties by analyzing the Mg spectra computed with 11 different models at the same conditions. We find that the inferred conditions differ by ±20-30% in ne and ±2-4% in Te depending on the choice of spectral model. Also, we find that half of the Te uncertainty comes from ne uncertainty. To refine the accuracy of the K-shell spectroscopy, it is important to scrutinize and experimentally validate line-shape theory. We investigate the impact of the inferred ne and Te model uncertainty on the Fe opacity measurements. Its impact is small and does not explain the reported discrepancies.

The Case of Lobster Shell Disease

ERIC Educational Resources Information Center

Hollen, Shawna; Toney, Jaime L.; Bisaccio, Daniel; Haberstroh, Karen Marie; Herbert, Timothy

2011-01-01

The authors combined content-driven and inquiry-based lessons into the framework of problem-based learning (PBL). They did this in eight third- through sixth-grade classrooms--two each from grades 3-5, one from sixth grade, and one mixed-grade special education. These older elementary students explored a local problem of lobsters infected by…

Shell-model predictions for Lambda Lambda hypernuclei

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

Gal, A.; Millener, D.

2011-06-02

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

Silica-Protection-Assisted Encapsulation of Cu2 O Nanocubes into a Metal-Organic Framework (ZIF-8) To Provide a Composite Catalyst.

PubMed

Li, Bo; Ma, Jian-Gong; Cheng, Peng

2018-06-04

The integration of metal/metal oxide nanoparticles (NPs) into metal-organic frameworks (MOFs) to form composite materials has attracted great interest due to the broad range of applications. However, to date, it has not been possible to encapsulate metastable NPs with high catalytic activity into MOFs, due to their instability during the preparation process. For the first time, we have successfully developed a template protection-sacrifice (TPS) method to encapsulate metastable NPs such as Cu 2 O into MOFs. SiO 2 was used as both a protective shell for Cu 2 O nanocubes and a sacrificial template for forming a yolk-shell structure. The obtained Cu 2 O@ZIF-8 composite exhibits excellent cycle stability in the catalytic hydrogenation of 4-nitrophenol with high activity. This is the first report of a Cu 2 O@MOF-type composite material. The TPS method provides an efficient strategy for encapsulating unstable active metal/metal oxide NPs into MOFs or maybe other porous materials. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed

Okajima, Ryoko; Chiba, Satoshi

2013-02-01

The adaptations that occur for support and protection can be studied with regard to the optimal structure that balances these objectives with any imposed constraints. The shell inclination of terrestrial gastropods is an appropriate model to address this problem. In this study, we examined how gastropods improve shell angles to well-balanced ones from geometrically constrained shapes. Our geometric analysis and physical analysis showed that constantly coiled shells are constrained from adopting a well-balanced angle; the shell angle of such basic shells tends to increase as the spire index (shell height/width) increases, although the optimum angle for stability is 90° for flat shells and 0° for tall shells. Furthermore, we estimated the influences of the geometric rule and the functional demands on actual shells by measuring the shell angles of both resting and active snails. We found that terrestrial gastropods have shell angles that are suited for balance. The growth lines of the shells indicated that this adaptation depends on the deflection of the last whorl: the apertures of flat shells are deflected downward, whereas those of tall shells are deflected upward. Our observations of active snails demonstrated that the animals hold their shells at better balanced angles than inactive snails. © 2012 The Author(s). Evolution© 2012 The Society for the Study of Evolution.

Large enhanced dielectric permittivity in polyaniline passivated core-shell nano magnetic iron oxide by plasma polymerization

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

Joy, Lija K.; Sooraj, V.; Sethulakshmi, N.

2014-03-24

Commercial samples of Magnetite with size ranging from 25–30 nm were coated with polyaniline by using radio frequency plasma polymerization to achieve a core shell structure of magnetic nanoparticle (core)–Polyaniline (shell). High resolution transmission electron microscopy images confirm the core shell architecture of polyaniline coated iron oxide. The dielectric properties of the material were studied before and after plasma treatment. The polymer coated magnetite particles exhibited a large dielectric permittivity with respect to uncoated samples. The dielectric behavior was modeled using a Maxwell–Wagner capacitor model. A plausible mechanism for the enhancement of dielectric permittivity is proposed.

Porogranular materials composed of elastic Helmholtz resonators for acoustic wave absorption.

PubMed

Griffiths, Stéphane; Nennig, Benoit; Job, Stéphane

2017-01-01

A theoretical and experimental study of the acoustic absorption of granular porous media made of non-cohesive piles of spherical shells is presented. These shells are either rigid or elastic, possibly drilled with a neck (Helmholtz resonators), and either porous or impervious. A description is given of acoustic propagation through these media using the effective medium models proposed by Johnson (rigid particles) and Boutin (rigid Helmholtz resonators), which are extended to the configurations studied in this work. A solution is given for the local equation of elasticity of a shell coupled to the viscous flow of air through the neck and the micropores. The models and the simulations are compared to absorption spectra measured in reflection in an impedance tube. The effective medium models and the measurements show excellent agreement for configurations made of rigid particles and rigid Helmholtz resonators that induce an additional peak of absorption at low frequency. A shift of the Helmholtz resonance toward low frequencies, due to the softness of the shells is revealed by the experiments for elastic shells made of soft elastomer and is well reproduced by the simulations. It is shown that microporous shells enhance and broaden acoustic absorption compared to stiff or elastic resonators.

Vibration characteristics of 1/8-scale dynamic models of the space-shuttle solid-rocket boosters

NASA Technical Reports Server (NTRS)

Leadbetter, S. A.; Stephens, W.; Sewall, J. L.; Majka, J. W.; Barret, J. R.

1976-01-01

Vibration tests and analyses of six 1/8 scale models of the space shuttle solid rocket boosters are reported. Natural vibration frequencies and mode shapes were obtained for these aluminum shell models having internal solid fuel configurations corresponding to launch, midburn (maximum dynamic pressure), and near endburn (burnout) flight conditions. Test results for longitudinal, torsional, bending, and shell vibration frequencies are compared with analytical predictions derived from thin shell theory and from finite element plate and beam theory. The lowest analytical longitudinal, torsional, bending, and shell vibration frequencies were within + or - 10 percent of experimental values. The effects of damping and asymmetric end skirts on natural vibration frequency were also considered. The analytical frequencies of an idealized full scale space shuttle solid rocket boosted structure are computed with and without internal pressure and are compared with the 1/8 scale model results.

Modeling deformation and chaining of flexible shells in a nematic solvent with finite elements on an adaptive moving mesh

NASA Astrophysics Data System (ADS)

DeBenedictis, Andrew; Atherton, Timothy J.; Rodarte, Andrea L.; Hirst, Linda S.

2018-03-01

A micrometer-scale elastic shell immersed in a nematic liquid crystal may be deformed by the host if the cost of deformation is comparable to the cost of elastic deformation of the nematic. Moreover, such inclusions interact and form chains due to quadrupolar distortions induced in the host. A continuum theory model using finite elements is developed for this system, using mesh regularization and dynamic refinement to ensure quality of the numerical representation even for large deformations. From this model, we determine the influence of the shell elasticity, nematic elasticity, and anchoring condition on the shape of the shell and hence extract parameter values from an experimental realization. Extending the model to multibody interactions, we predict the alignment angle of the chain with respect to the host nematic as a function of aspect ratio, which is found to be in excellent agreement with experiments.

Ab initio results for intermediate-mass, open-shell nuclei

NASA Astrophysics Data System (ADS)

Baker, Robert B.; Dytrych, Tomas; Launey, Kristina D.; Draayer, Jerry P.

2017-01-01

A theoretical understanding of nuclei in the intermediate-mass region is vital to astrophysical models, especially for nucleosynthesis. Here, we employ the ab initio symmetry-adapted no-core shell model (SA-NCSM) in an effort to push first-principle calculations across the sd-shell region. The ab initio SA-NCSM's advantages come from its ability to control the growth of model spaces by including only physically relevant subspaces, which allows us to explore ultra-large model spaces beyond the reach of other methods. We report on calculations for 19Ne and 20Ne up through 13 harmonic oscillator shells using realistic interactions and discuss the underlying structure as well as implications for various astrophysical reactions. This work was supported by the U.S. NSF (OCI-0904874 and ACI -1516338) and the U.S. DOE (DE-SC0005248), and also benefitted from the Blue Waters sustained-petascale computing project and high performance computing resources provided by LSU.

Sea shell diversity and rapidly evolving secretomes: insights into the evolution of biomineralization.

PubMed

Kocot, Kevin M; Aguilera, Felipe; McDougall, Carmel; Jackson, Daniel J; Degnan, Bernard M

2016-01-01

An external skeleton is an essential part of the body plan of many animals and is thought to be one of the key factors that enabled the great expansion in animal diversity and disparity during the Cambrian explosion. Molluscs are considered ideal to study the evolution of biomineralization because of their diversity of highly complex, robust and patterned shells. The molluscan shell forms externally at the interface of animal and environment, and involves controlled deposition of calcium carbonate within a framework of macromolecules that are secreted from the dorsal mantle epithelium. Despite its deep conservation within Mollusca, the mantle is capable of producing an incredible diversity of shell patterns, and macro- and micro-architectures. Here we review recent developments within the field of molluscan biomineralization, focusing on the genes expressed in the mantle that encode secreted proteins. The so-called mantle secretome appears to regulate shell deposition and patterning and in some cases becomes part of the shell matrix. Recent transcriptomic and proteomic studies have revealed marked differences in the mantle secretomes of even closely-related molluscs; these typically exceed expected differences based on characteristics of the external shell. All mantle secretomes surveyed to date include novel genes encoding lineage-restricted proteins and unique combinations of co-opted ancient genes. A surprisingly large proportion of both ancient and novel secreted proteins containing simple repetitive motifs or domains that are often modular in construction. These repetitive low complexity domains (RLCDs) appear to further promote the evolvability of the mantle secretome, resulting in domain shuffling, expansion and loss. RLCD families further evolve via slippage and other mechanisms associated with repetitive sequences. As analogous types of secreted proteins are expressed in biomineralizing tissues in other animals, insights into the evolution of the genes underlying molluscan shell formation may be applied more broadly to understanding the evolution of metazoan biomineralization.

Disentangling controls on element impurities of bivalve shells

NASA Astrophysics Data System (ADS)

Zhao, Liqiang; Schöne, Bernd R.; Mertz-Kraus, Regina

2017-04-01

Trace and minor elements of bivalve shells can potentially serve as proxies of past environmental change. However, retrieving environmental information from element impurities of bivalve shells remains an extremely challenging task. A central difficulty concerns the fact that extrinsic and intrinsic factors governing the element incorporation are poorly constrained. Within the framework of the ARAMACC project, we aim to decipher the complexity of the incorporation of trace and minor elements into bivalve shells and explore their full potential as proxies of environmental change. More specifically, the following questions were tackled. (1) How are trace and minor elements transported from the ambient environment to the calcifying front? (2) How is their incorporation into the shells affected by environmental and physiological variables? Our findings lend support to the general assumption that divalent ions (e.g., Cu2+, Mn2+, Zn2+ and Pb2+) share the same transport pathways as Ca2+ because of similar ionic radii and electrochemical properties. However, results obtained for Mg2+, Sr2+ and Ba2+ are particularly interesting as they are at odds with existing hypotheses on the incorporation of these three elements, i.e., intracellular Ca2+ pathways (via Ca2+ channels and Ca2+-ATPase) are likely not responsible for their incorporation. Despite the existence of strong physiological interference, some encouraging results were found, in particular (1) strong, positive relationships between the Sr, Ba and Mn contents of the shells and concentrations in the ambient water, (2) only minor effects of growth rate (which is closely linked to the rate of crystal growth and hence, kinetics) on the amounts of Na, Sr, Ba and Mn incorporation into the shells. Overall, our findings demonstrate that environmental and physiological controls on the element incorporation do not have to be mutually exclusive, i.e., if environmental changes outweigh physiological influences, one could still expect that trace and minor elements of bivalve shells serve as promising environmental proxies.

Study of Fission Barrier Heights of Uranium Isotopes by the Macroscopic-Microscopic Method

NASA Astrophysics Data System (ADS)

Zhong, Chun-Lai; Fan, Tie-Shuan

2014-09-01

Potential energy surfaces of uranium nuclei in the range of mass numbers 229 through 244 are investigated in the framework of the macroscopic-microscopic model and the heights of static fission barriers are obtained in terms of a double-humped structure. The macroscopic part of the nuclear energy is calculated according to Lublin—Strasbourg-drop (LSD) model. Shell and pairing corrections as the microscopic part are calculated with a folded-Yukawa single-particle potential. The calculation is carried out in a five-dimensional parameter space of the generalized Lawrence shapes. In order to extract saddle points on the potential energy surface, a new algorithm which can effectively find an optimal fission path leading from the ground state to the scission point is developed. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

Testing microscopically derived descriptions of nuclear collectivity: Coulomb excitation of 22Mg

NASA Astrophysics Data System (ADS)

Henderson, J.; Hackman, G.; Ruotsalainen, P.; Stroberg, S. R.; Launey, K. D.; Holt, J. D.; Ali, F. A.; Bernier, N.; Bentley, M. A.; Bowry, M.; Caballero-Folch, R.; Evitts, L. J.; Frederick, R.; Garnsworthy, A. B.; Garrett, P. E.; Jigmeddorj, B.; Kilic, A. I.; Lassen, J.; Measures, J.; Muecher, D.; Olaizola, B.; O'Sullivan, E.; Paetkau, O.; Park, J.; Smallcombe, J.; Svensson, C. E.; Wadsworth, R.; Wu, C. Y.

2018-07-01

Many-body nuclear theory utilizing microscopic or chiral potentials has developed to the point that collectivity might be studied within a microscopic or ab initio framework without the use of effective charges; for example with the proper evolution of the E2 operator, or alternatively, through the use of an appropriate and manageable subset of particle-hole excitations. We present a precise determination of E2 strength in 22Mg and its mirror 22Ne by Coulomb excitation, allowing for rigorous comparisons with theory. No-core symplectic shell-model calculations were performed and agree with the new B (E 2) values while in-medium similarity-renormalization-group calculations consistently underpredict the absolute strength, with the missing strength found to have both isoscalar and isovector components. The discrepancy between two microscopic models demonstrates the sensitivity of E2 strength to the choice of many-body approximation employed.

Low collectivity of the first 2+ states of 212,210Po

NASA Astrophysics Data System (ADS)

Kocheva, D.; Rainovski, G.; Jolie, J.; Pietralla, N.; Blazhev, A.; Astier, A.; Altenkirch, R.; Bast, M.; Beckers, M.; Ansari, S.; Braunroth, Th.; Cappellazzo, M.; Cortés, M. L.; Dewald, A.; Diel, F.; Djongolov, M.; Fransen, C.; Gladnishki, K.; Goldkuhle, A.; Hennig, A.; Karayonchev, V.; Keatings, J. M.; Kluge, E.; Kröll, Th.; Litzinger, J.; Moschner, K.; Müller-Gatermann, C.; Petkov, P.; Rudigier, M.; Scheck, M.; Spagnoletti, P.; Scholz, Ph.; Schmidt, T.; Spieker, M.; Stahl, C.; Stegmann, R.; Stolz, A.; Vogt, A.; Stoyanova, M.; Thöle, P.; Warr, N.; Werner, V.; Witt, W.; Wölk, D.; Zamora, J. C.; Zell, K. O.; Van Isacker, P.; Ponomarev, V. Yu.

2018-05-01

The lifetimes of the first 2+ excited states of 212,210Po were measured in two transfer reactions 208Pb(12C,8Be)212Po and 208Pb(12C,10Be)210Po by the Recoil Distance Doppler Shift (RDDS) method and by the Doppler Shift Attenuation method (DSAM), respectively. The derived absolute B(E2) values of 2.6(3) W.u. for 212Po and 1.83(28) W.u. for 210Po indicate low collectivity. It is shown that the properties of the yrast {2}1+, {4}1+, {6}1+ and {8}1+ states in both nuclei cannot be described consistently in the framework of nuclear shell models. It is also demonstrated in the case of 210Po that Quasi-particle Phonon Model (QPM) calculations cannot overcome this problem thus indicating the existence of a peculiarity which is neglected in both theoretical approaches.

Synthesis and Plasmonic Understanding of Core/Satellite and Core Shell Nanostructures

NASA Astrophysics Data System (ADS)

Ruan, Qifeng

Localized surface plasmon resonance, which stems from the collective oscillations of conduction-band electrons, endows Au nanocrystals with unique optical properties. Au nanocrystals possess extremely large scattering/absorption cross-sections and enhanced local electromagnetic field, both of which are synthetically tunable. Moreover, when Au nanocrystals are closely placed or hybridized with semiconductors, the coupling and interaction between the individual components bring about more fascinating phenomena and promising applications, including plasmon-enhanced spectroscopies, solar energy harvesting, and cancer therapy. The continuous development in the field of plasmonics calls for further advancements in the preparation of high-quality plasmonic nanocrystals, the facile construction of hybrid plasmonic nanostructures with desired functionalities, as well as deeper understanding and efficient utilization of the interaction between plasmonic nanocrystals and semiconductor components. In this thesis, I developed a seed-mediated growth method for producing size-controlled Au nanospheres with high monodispersity and assembled Au nanospheres of different sizes into core/satellite nanostructures for enhancing Raman signals. For investigating the interactions between Au nanocrystals and semiconductors, I first prepared (Au core) (TiO2 shell) nanostructures, and then studied their synthetically controlled plasmonic properties and light-harvesting applications. Au nanocrystals with spherical shapes are desirable in plasmon-coupled systems owing to their high geometrical symmetry, which facilitates the analysis of electrodynamic responses in a classical electromagnetic framework and the investigation of quantum tunneling and nonlocal effects. I prepared remarkably uniform Au nanospheres with diameters ranging from 20 nm to 220 nm using a simple seed-mediated growth method associated with mild oxidation. Core/satellite nanostructures were assembled out of differently sized Au nanospheres with molecular linkers. The plasmon resonances of the core/satellite nanostructures undergo red shifts in comparison to those of the sole Au cores, which is consistent with Mie theory analysis. As predicted by finite-difference time-domain simulations, the assembled core/satellite nanostructures exhibit large enhancements for Raman scattering. The facile growth of Au nanospheres and assembly of core/satellite nanostructures blaze a new way to the design of nanoarchitectures with desired plasmonic properties and functions. Coating semiconductors onto Au nanocrystals to form core shell configurations can increase the interactions between the two materials, benefiting from their large active interfacial area. The shell can also protect the Au nanocrystal core from aggregation, reshaping, and chemical corrosion. In this thesis, (Au nanocrystal core) (titania shell) nanostructures with tunable shell thicknesses were prepared by a facile wetchemistry method. Au nanocrystals with strong and tunable plasmon resonances in the visible and near-infrared regions can enhance and broaden the light utilization of TiO2 through the scattering/absorption enhancement, sensitization, and hot-electron injection. The integration of Au nanocrystals therefore hold the prospect of breaking the light-harvesting limit of TiO2 arising from its wide band gap. The resultant (Au core) (TiO2 shell) nanostructures were examined to be capable of efficiently generating reactive oxygen species under near-infrared resonant excitation. On the other hand, the transverse plasmon modes of Au nanorods, which are often too weak to be observed on scattering spectra, are enhanced by the TiO2 shell through energy transfer. With the increment of the shell thickness, the intensity of the transverse plasmon mode increases significantly and even becomes comparable with the longitudinal plasmon mode. Interestingly, both the transverse and longitudinal modes of the (Au core) (TiO2 shell) nanostructures exhibit asymmetric Fano line shapes. The Fano resonances result from the coupling between the core and shell, as understood by the mechanical oscillator model. Besides varying the shell thickness, the plasmonic bands of the core shell nanostructures can also be tailored by employing Au nanorods with different aspect ratios. The synthetically tunable plasmonic properties and synergistic interactions between the gold core and the titania shell make the hybrid nanostructure a multifunctional nanomaterial and ideal system for studying the plasmonic hybrid nanostructures.

Deuteron-induced nucleon transfer reactions within an ab initio framework: First application to p -shell nuclei

DOE PAGES

Raimondi, Francesco; Hupin, Guillaume; Navratil, Petr; ...

2016-05-10

Low-energy transfer reactions in which a proton is stripped from a deuteron projectile and dropped into a target play a crucial role in the formation of nuclei in both primordial and stellar nucleosynthesis, as well as in the study of exotic nuclei using radioactive beam facilities and inverse kinematics. Here, ab initio approaches have been successfully applied to describe the 3H(d,n) 4He and 3He(d,p) 4He fusion processes. An ab initio treatment of transfer reactions would also be desirable for heavier targets. In this work, we extend the ab initio description of (d,p) reactions to processes with light p-shell nuclei. Asmore » a first application, we study the elastic scattering of deuterium on 7Li and the 7Li(d,p) 8Li transfer reaction based on a two-body Hamiltonian. We use the no-core shell model to compute the wave functions of the nuclei involved in the reaction, and describe the dynamics between targets and projectiles with the help of microscopic-cluster states in the spirit of the resonating group method. The shapes of the excitation functions for deuterons impinging on 7Li are qualitatively reproduced up to the deuteron breakup energy. The interplay between d– 7Li and p– 8Li particle-decay channels determines some features of the 9Be spectrum above the d+ 7Li threshold. Our prediction for the parity of the 17.298 MeV resonance is at odds with the experimental assignment. Deuteron stripping reactions with p-shell targets can now be computed ab initio, but calculations are very demanding. Finally, a quantitative description of the 7Li(d,p) 8Li reaction will require further work to include the effect of three-nucleon forces and additional decay channels and to improve the convergence rate of our calculations.« less

Deuteron-induced nucleon transfer reactions within an ab initio framework: First application to p -shell nuclei

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

Raimondi, Francesco; Hupin, Guillaume; Navratil, Petr

Low-energy transfer reactions in which a proton is stripped from a deuteron projectile and dropped into a target play a crucial role in the formation of nuclei in both primordial and stellar nucleosynthesis, as well as in the study of exotic nuclei using radioactive beam facilities and inverse kinematics. Here, ab initio approaches have been successfully applied to describe the 3H(d,n) 4He and 3He(d,p) 4He fusion processes. An ab initio treatment of transfer reactions would also be desirable for heavier targets. In this work, we extend the ab initio description of (d,p) reactions to processes with light p-shell nuclei. Asmore » a first application, we study the elastic scattering of deuterium on 7Li and the 7Li(d,p) 8Li transfer reaction based on a two-body Hamiltonian. We use the no-core shell model to compute the wave functions of the nuclei involved in the reaction, and describe the dynamics between targets and projectiles with the help of microscopic-cluster states in the spirit of the resonating group method. The shapes of the excitation functions for deuterons impinging on 7Li are qualitatively reproduced up to the deuteron breakup energy. The interplay between d– 7Li and p– 8Li particle-decay channels determines some features of the 9Be spectrum above the d+ 7Li threshold. Our prediction for the parity of the 17.298 MeV resonance is at odds with the experimental assignment. Deuteron stripping reactions with p-shell targets can now be computed ab initio, but calculations are very demanding. Finally, a quantitative description of the 7Li(d,p) 8Li reaction will require further work to include the effect of three-nucleon forces and additional decay channels and to improve the convergence rate of our calculations.« less

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

NASA Astrophysics Data System (ADS)

Das, Subhojit; Paul, Anumita; Chattopadhyay, Arun

2013-09-01

We report on the generation of core-shell nanoparticles (NPs) having an organic nanocrystal (NC) core coated with an inorganic metallic shell, being dispersed in aqueous medium. First, NCs of p-hydroxyacetanilide (pHA)--known also as paracetamol--were generated in an aqueous medium. Transmission electron microscopy (TEM) and powder X-ray diffraction (XRD) evidenced the formation of pHA NCs and of their crystalline nature. The NCs were then coated with Au to form pHA@Au core-shell NPs, where the thickness of the Au shell was on the order of nanometers. The formation of Au nanoshell--surrounding pHA NC--was confirmed from its surface plasmon resonance (SPR) band in the UV/Vis spectrum and by TEM measurements. Further, on treatment of the core-shell particles with a solution comprising NaCl and HCl (pH < 3), the Au shell could be dissolved, subsequently releasing pHA molecules. The dissolution of Au shell was marked by a gradual diminishing of its SPR band, while the release of pHA molecules in the solution was confirmed from TEM and FTIR studies. The findings suggest that the core-shell NP could be hypothesized to be a model for encapsulating drug molecules, in their crystalline forms, for slow as well as targeted release.We report on the generation of core-shell nanoparticles (NPs) having an organic nanocrystal (NC) core coated with an inorganic metallic shell, being dispersed in aqueous medium. First, NCs of p-hydroxyacetanilide (pHA)--known also as paracetamol--were generated in an aqueous medium. Transmission electron microscopy (TEM) and powder X-ray diffraction (XRD) evidenced the formation of pHA NCs and of their crystalline nature. The NCs were then coated with Au to form pHA@Au core-shell NPs, where the thickness of the Au shell was on the order of nanometers. The formation of Au nanoshell--surrounding pHA NC--was confirmed from its surface plasmon resonance (SPR) band in the UV/Vis spectrum and by TEM measurements. Further, on treatment of the core-shell particles with a solution comprising NaCl and HCl (pH < 3), the Au shell could be dissolved, subsequently releasing pHA molecules. The dissolution of Au shell was marked by a gradual diminishing of its SPR band, while the release of pHA molecules in the solution was confirmed from TEM and FTIR studies. The findings suggest that the core-shell NP could be hypothesized to be a model for encapsulating drug molecules, in their crystalline forms, for slow as well as targeted release. Electronic supplementary information (ESI) available: See DOI: 10.1039/c3nr03566b

Realistic Gamow shell model for resonance and continuum in atomic nuclei

NASA Astrophysics Data System (ADS)

Xu, F. R.; Sun, Z. H.; Wu, Q.; Hu, B. S.; Dai, S. J.

2018-02-01

The Gamow shell model can describe resonance and continuum for atomic nuclei. The model is established in the complex-moment (complex-k) plane of the Berggren coordinates in which bound, resonant and continuum states are treated on equal footing self-consistently. In the present work, the realistic nuclear force, CD Bonn, has been used. We have developed the full \\hat{Q}-box folded-diagram method to derive the realistic effective interaction in the model space which is nondegenerate and contains resonance and continuum channels. The CD-Bonn potential is renormalized using the V low-k method. With choosing 16O as the inert core, we have applied the Gamow shell model to oxygen isotopes.

Hierarchic plate and shell models based on p-extension

NASA Technical Reports Server (NTRS)

Szabo, Barna A.; Sahrmann, Glenn J.

1988-01-01

Formulations of finite element models for beams, arches, plates and shells based on the principle of virtual work was studied. The focus is on computer implementation of hierarchic sequences of finite element models suitable for numerical solution of a large variety of practical problems which may concurrently contain thin and thick plates and shells, stiffeners, and regions where three dimensional representation is required. The approximate solutions corresponding to the hierarchic sequence of models converge to the exact solution of the fully three dimensional model. The stopping criterion is based on: (1) estimation of the relative error in energy norm; (2) equilibrium tests, and (3) observation of the convergence of quantities of interest.

Effect of the shell material and confinement type on the conversion efficiency of core/shell quantum dot nanocrystal solar cells

NASA Astrophysics Data System (ADS)

Sahin, Mehmet

2018-05-01

In this study, the effects of the shell material and confinement type on the conversion efficiency of core/shell quantum dot nanocrystal (QDNC) solar cells have been investigated in detail. For this purpose, the conventional, i.e. original, detailed balance model, developed by Shockley and Queisser to calculate an upper limit for the conversion efficiency of silicon p–n junction solar cells, is modified in a simple and effective way to calculate the conversion efficiency of core/shell QDNC solar cells. Since the existing model relies on the gap energy () of the solar cell, it does not make an estimation about the effect of QDNC materials on the efficiency of the solar cells, and gives the same efficiency values for several QDNC solar cells with the same . The proposed modification, however, estimates a conversion efficiency in relation to the material properties and also the confinement type of the QDNCs. The results of the modified model show that, in contrast to the original one, the conversion efficiencies of different QDNC solar cells, even if they have the same , become different depending upon the confinement type and shell material of the core/shell QDNCs, and this is crucial in the design and fabrication of the new generation solar cells to predict the confinement type and also appropriate QDNC materials for better efficiency.

Effectively-truncated large-scale shell-model calculations and nuclei around 100Sn

NASA Astrophysics Data System (ADS)

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

2017-09-01

This paper presents a short overview of a procedure we have recently introduced, dubbed the double-step truncation method, which is aimed to reduce the computational complexity of large-scale shell-model calculations. Within this procedure, one starts with a realistic shell-model Hamiltonian defined in a large model space, and then, by analyzing the effective single particle energies of this Hamiltonian as a function of the number of valence protons and/or neutrons, reduced model spaces are identified containing only the single-particle orbitals relevant to the description of the spectroscopic properties of a certain class of nuclei. As a final step, new effective shell-model Hamiltonians defined within the reduced model spaces are derived by way of a unitary transformation of the original large-scale Hamiltonian. A detailed account of this transformation is given and the merit of the double-step truncation method is illustrated by discussing few selected results for 96Mo, described as four protons and four neutrons outside 88Sr. Some new preliminary results for light odd-tin isotopes from A = 101 to 107 are also reported.

Shear-flexible finite-element models of laminated composite plates and shells

NASA Technical Reports Server (NTRS)

Noor, A. K.; Mathers, M. D.

1975-01-01

Several finite-element models are applied to the linear static, stability, and vibration analysis of laminated composite plates and shells. The study is based on linear shallow-shell theory, with the effects of shear deformation, anisotropic material behavior, and bending-extensional coupling included. Both stiffness (displacement) and mixed finite-element models are considered. Discussion is focused on the effects of shear deformation and anisotropic material behavior on the accuracy and convergence of different finite-element models. Numerical studies are presented which show the effects of increasing the order of the approximating polynomials, adding internal degrees of freedom, and using derivatives of generalized displacements as nodal parameters.

Morphomechanics and Developmental Constraints in the Evolution of Ammonites Shell Form.

PubMed

Erlich, Alexander; Moulton, Derek E; Goriely, Alain; Chirat, Regis

2016-11-01

The idea that physical processes involved in biological development underlie morphogenetic rules and channel morphological evolution has been central to the rise of evolutionary developmental biology. Here, we explore this idea in the context of seashell morphogenesis. We show that a morphomechanical model predicts the effects of variations in shell shape on the ornamental pattern in ammonites, a now extinct group of cephalopods with external chambered shell. Our model shows that several seemingly unrelated characteristics of synchronous, ontogenetic, intraspecific, and evolutionary variations in ornamental patterns among various ammonite species may all be understood from the fact that the mechanical forces underlying the oscillatory behavior of the shell secreting system scale with the cross-sectional curvature of the shell aperture. This simple morphogenetic rule, emerging from biophysical interactions during shell formation, introduced a non-random component in the production of phenotypic variation and channeled the morphological evolution of ammonites over millions of years. As such, it provides a paradigm for the concept of "developmental constraints." © 2016 Wiley Periodicals, Inc.

Sound transmission through double cylindrical shells lined with porous material under turbulent boundary layer excitation

NASA Astrophysics Data System (ADS)

Zhou, Jie; Bhaskar, Atul; Zhang, Xin

2015-11-01

This paper investigates sound transmission through double-walled cylindrical shell lined with poroelastic material in the core, excited by pressure fluctuations due to the exterior turbulent boundary layer (TBL). Biot's model is used to describe the sound wave propagating in the porous material. Three types of constructions, bonded-bonded, bonded-unbonded and unbonded-unbonded, are considered in this study. The power spectral density (PSD) of the inner shell kinetic energy is predicted for two turbulent boundary layer models, different air gap depths and three types of polyimide foams, respectively. The peaks of the inner shell kinetic energy due to shell resonance, hydrodynamic coincidence and acoustic coincidence are discussed. The results show that if the frequency band over the ring frequency is of interest, an air gap, even if very thin, should exist between the two elastic shells for better sound insulation. And if small density foam has a high flow resistance, a superior sound insulation can still be maintained.

Shell Model Far From Stability: Island of Inversion Mergers

NASA Astrophysics Data System (ADS)

Nowacki, F.; Poves, A.

2018-02-01

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

Dynamic model of open shell structures buried in poroelastic soils

NASA Astrophysics Data System (ADS)

Bordón, J. D. R.; Aznárez, J. J.; Maeso, O.

2017-08-01

This paper is concerned with a three-dimensional time harmonic model of open shell structures buried in poroelastic soils. It combines the dual boundary element method (DBEM) for treating the soil and shell finite elements for modelling the structure, leading to a simple and efficient representation of buried open shell structures. A new fully regularised hypersingular boundary integral equation (HBIE) has been developed to this aim, which is then used to build the pair of dual BIEs necessary to formulate the DBEM for Biot poroelasticity. The new regularised HBIE is validated against a problem with analytical solution. The model is used in a wave diffraction problem in order to show its effectiveness. It offers excellent agreement for length to thickness ratios greater than 10, and relatively coarse meshes. The model is also applied to the calculation of impedances of bucket foundations. It is found that all impedances except the torsional one depend considerably on hydraulic conductivity within the typical frequency range of interest of offshore wind turbines.

Large-scale shell-model study of the Sn isotopes

NASA Astrophysics Data System (ADS)

Osnes, Eivind; Engeland, Torgeir; Hjorth-Jensen, Morten

2015-05-01

We summarize the results of an extensive study of the structure of the Sn isotopes using a large shell-model space and effective interactions evaluated from realistic two-nucleon potentials. For a fuller account, see ref. [1].

Hohlraum-driven mid-Z (SiO2) double-shell implosions on the omega laser facility and their scaling to NIF.

PubMed

Robey, H F; Amendt, P A; Milovich, J L; Park, H-S; Hamza, A V; Bono, M J

2009-10-02

High-convergence, hohlraum-driven implosions of double-shell capsules using mid-Z (SiO2) inner shells have been performed on the OMEGA laser facility [T. R. Boehly, Opt. Commun. 133, 495 (1997)]. These experiments provide an essential extension of the results of previous low-Z (CH) double-shell implosions [P. A. Amendt, Phys. Rev. Lett. 94, 065004 (2005)] to materials of higher density and atomic number. Analytic modeling, supported by highly resolved 2D numerical simulations, is used to account for the yield degradation due to interfacial atomic mixing. This extended experimental database from OMEGA enables a validation of the mix model, and provides a means for quantitatively assessing the prospects for high-Z double-shell implosions on the National Ignition Facility [Paisner, Laser Focus World 30, 75 (1994)].

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

A mixed helium-oxygen shell in some core-collapse supernova progenitors

NASA Astrophysics Data System (ADS)

Gofman, Roni Anna; Gilkis, Avishai; Soker, Noam

2018-04-01

We evolve models of rotating massive stars up to the stage of iron core collapse using the MESA code and find a shell with a mixed composition of primarily helium and oxygen in some cases. In the parameter space of initial masses of 13-40M⊙ and initial rotation velocities of 0-450 kms-1 that we investigate, we find a mixed helium-oxygen (He-O) shell with a significant total He-O mass and with a helium to oxygen mass ratio in the range of 0.5-2 only for a small fraction of the models. While the shell formation due to mixing is instigated by rotation, the pre-collapse rotation rate is not very high. The fraction of models with a shell of He-O composition required for an energetic collapse-induced thermonuclear explosion is small, as is the fraction of models with high specific angular momentum, which can aid the thermonuclear explosion by retarding the collapse. Our results suggest that the collapse-induced thermonuclear explosion mechanism that was revisited recently can account for at most a small fraction of core-collapse supernovae. The presence of such a mixed He-O shell still might have some implications for core-collapse supernovae, such as some nucleosynthesis processes when jets are present, or might result in peculiar sub-luminous core-collapse supernovae.

A mixed helium-oxygen shell in some core-collapse supernova progenitors

NASA Astrophysics Data System (ADS)

Gofman, Roni Anna; Gilkis, Avishai; Soker, Noam

2018-07-01

We evolve models of rotating massive stars up to the stage of iron core collapse using the MESA code and find a shell with a mixed composition of primarily helium and oxygen in some cases. In the parameter space of initial masses of 13-40 M⊙ and initial rotation velocities of 0-450 km s-1 that we investigate, we find a mixed helium-oxygen (He-O) shell with a significant total He-O mass and with a helium to oxygen mass ratio in the range of 0.5-2 only for a small fraction of the models. While the shell formation due to mixing is instigated by rotation, the pre-collapse rotation rate is not very high. The fraction of models with a shell of He-O composition required for an energetic collapse-induced thermonuclear explosion is small, as is the fraction of models with high specific angular momentum, which can aid the thermonuclear explosion by retarding the collapse. Our results suggest that the collapse-induced thermonuclear explosion mechanism that was revisited recently can account for at most a small fraction of core-collapse supernovae. The presence of such a mixed He-O shell still might have some implications for core-collapse supernovae, such as some nucleosynthesis processes when jets are present, or might result in peculiar sub-luminous core-collapse supernovae.

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

The demographic consequences of growing older and bigger in oyster populations.

PubMed

Moore, Jacob L; Lipcius, Romuald N; Puckett, Brandon; Schreiber, Sebastian J

2016-10-01

Structured population models, particularly size- or age-structured, have a long history of informing conservation and natural resource management. While size is often easier to measure than age and is the focus of many management strategies, age-structure can have important effects on population dynamics that are not captured in size-only models. However, relatively few studies have included the simultaneous effects of both age- and size-structure. To better understand how population structure, particularly that of age and size, impacts restoration and management decisions, we developed and compared a size-structured integral projection model (IPM) and an age- and size-structured IPM, using a population of Crassostrea gigas oysters in the northeastern Pacific Ocean. We analyzed sensitivity of model results across values of local retention that give populations decreasing in size to populations increasing in size. We found that age- and size-structured models yielded the best fit to the demographic data and provided more reliable results about long-term demography. Elasticity analysis showed that population growth rate was most sensitive to changes in the survival of both large (>175 mm shell length) and small (<75 mm shell length) oysters, indicating that a maximum size limit, in addition to a minimum size limit, could be an effective strategy for maintaining a sustainable population. In contrast, the purely size-structured model did not detect the importance of large individuals. Finally, patterns in stable age and stable size distributions differed between populations decreasing in size due to limited local retention and populations increasing in size due to high local retention. These patterns can be used to determine population status and restoration success. The methodology described here provides general insight into the necessity of including both age- and size-structure into modeling frameworks when using population models to inform restoration and management decisions. © 2016 by the Ecological Society of America.

Collective and non-collective structures in nuclei of mass region A ≈ 125

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

Singh, A. K.; Collaboration: INGA Collaboration; Gammasphere Collaboration

Generation of angular momentum in nuclei is a key question in nuclear structure studies. In single particle model, it is due to alignment of spin of individual nucleon available in the valence space, whereas coherent motion of nucleons are assumed in the collective model. The nuclei near the closed shell at Z = 50 with mass number A ≈ 120-125 represent ideal cases to explore the interplay between these competing mechanisms and the transition from non-collective to collective behavior or vice versa. Recent spectroscopic studies of nuclei in this region reveal several non-collective maximally aligned states representing the first kindmore » of excitation mechanism, where 8-12 particles above the {sup 114}Sn align their spins to generate these states. Deformed rotational bands feeding the non-collective states in the spin range I=20-25 and excitation energies around 10 MeV have also been observed. Structure of the collective and non-collective states are discussed in the framework of Cranked-Nilsson-Strutinsky model.« less

Multi-shell model of ion-induced nucleic acid condensation

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

Tolokh, Igor S.; Drozdetski, Aleksander V.; Pollack, Lois

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

Multi-shell model of ion-induced nucleic acid condensation

PubMed Central

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

2016-01-01

We present a semi-quantitative model of condensation of short nucleic acid (NA) duplexes induced by trivalent cobalt(iii) hexammine (CoHex) ions. The model is based on partitioning of bound counterion distribution around single NA duplex into “external” and “internal” ion binding shells distinguished by the proximity to duplex helical axis. In the aggregated phase the shells overlap, which leads to significantly increased attraction of CoHex ions in these overlaps with the neighboring duplexes. The duplex aggregation free energy is decomposed into attractive and repulsive components in such a way that they can be represented by simple analytical expressions with parameters derived from molecular dynamic simulations and numerical solutions of Poisson equation. The attractive term depends on the fractions of bound ions in the overlapping shells and affinity of CoHex to the “external” shell of nearly neutralized duplex. The repulsive components of the free energy are duplex configurational entropy loss upon the aggregation and the electrostatic repulsion of the duplexes that remains after neutralization by bound CoHex ions. The estimates of the aggregation free energy are consistent with the experimental range of NA duplex condensation propensities, including the unusually poor condensation of RNA structures and subtle sequence effects upon DNA condensation. The model predicts that, in contrast to DNA, RNA duplexes may condense into tighter packed aggregates with a higher degree of duplex neutralization. An appreciable CoHex mediated RNA-RNA attraction requires closer inter-duplex separation to engage CoHex ions (bound mostly in the “internal” shell of RNA) into short-range attractive interactions. The model also predicts that longer NA fragments will condense more readily than shorter ones. The ability of this model to explain experimentally observed trends in NA condensation lends support to proposed NA condensation picture based on the multivalent “ion binding shells.” PMID:27389241

STATIC ANALYSIS OF SHELLS OF REVOLUTION USING DOUBLY-CURVED QUADRILATERAL ELEMENTS DERIVED FROM ALTERNATE VARIATIONAL MODELS.

DTIC Science & Technology

geometrical shape of the finite element in both of the models is a doubly-curved quadrilateral element whose edge curves are the lines-of-curvature coordinates employed to define the shell midsurface . (Author)

A comprehensive alpha-heating model for inertial confinement fusion

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

Christopherson, A. R.; Betti, R.; Bose, A.

In this paper, a comprehensive model is developed to study alpha-heating in inertially confined plasmas. It describes the time evolution of a central low-density hot spot confined by a compressible shell, heated by fusion alphas, and cooled by radiation and thermal losses. The model includes the deceleration, stagnation, and burn phases of inertial confinement fusion implosions, and is valid for sub-ignited targets with ≤10× amplification of the fusion yield from alpha-heating. The results of radiation-hydrodynamic simulations are used to derive realistic initial conditions and dimensionless parameters for the model. It is found that most of the alpha energy (~90%) producedmore » before bang time is deposited within the hot spot mass, while a small fraction (~10%) drives mass ablation off the inner shell surface and its energy is recycled back into the hot spot. Of the bremsstrahlung radiation emission, ~40% is deposited in the hot spot, ~40% is recycled back in the hot spot by ablation off the shell, and ~20% leaves the hot spot. We show here that the hot spot, shocked shell, and outer shell trajectories from this analytical model are in good agreement with simulations. Finally, a detailed discussion of the effect of alpha-heating on the hydrodynamics is also presented.« less

Fluorescence and absorption spectroscopy for warm dense matter studies and ICF plasma diagnostics

DOE PAGES

Hansen, Stephanie B.; Harding, Eric C.; Knapp, Patrick F.; ...

2018-03-07

The burning core of an inertial confinement fusion (ICF) plasma produces bright x-rays at stagnation that can directly diagnose core conditions essential for comparison to simulations and understanding fusion yields. These x-rays also backlight the surrounding shell of warm, dense matter, whose properties are critical to understanding the efficacy of the inertial confinement and global morphology. In this work, we show that the absorption and fluorescence spectra of mid-Z impurities or dopants in the warm dense shell can reveal the optical depth, temperature, and density of the shell and help constrain models of warm, dense matter. This is illustrated bymore » the example of a high-resolution spectrum collected from an ICF plasma with a beryllium shell containing native iron impurities. Lastly, analysis of the iron K-edge provides model-independent diagnostics of the shell density (2.3 × 10 24 e/cm 3) and temperature (10 eV), while a 12-eV red shift in Kβ and 5-eV blue shift in the K-edge discriminate among models of warm dense matter: Both shifts are well described by a self-consistent field model based on density functional theory but are not fully consistent with isolated-atom models using ad-hoc density effects.« less

A comprehensive alpha-heating model for inertial confinement fusion

NASA Astrophysics Data System (ADS)

Christopherson, A. R.; Betti, R.; Bose, A.; Howard, J.; Woo, K. M.; Campbell, E. M.; Sanz, J.; Spears, B. K.

2018-01-01

A comprehensive model is developed to study alpha-heating in inertially confined plasmas. It describes the time evolution of a central low-density hot spot confined by a compressible shell, heated by fusion alphas, and cooled by radiation and thermal losses. The model includes the deceleration, stagnation, and burn phases of inertial confinement fusion implosions, and is valid for sub-ignited targets with ≤10 × amplification of the fusion yield from alpha-heating. The results of radiation-hydrodynamic simulations are used to derive realistic initial conditions and dimensionless parameters for the model. It is found that most of the alpha energy (˜90%) produced before bang time is deposited within the hot spot mass, while a small fraction (˜10%) drives mass ablation off the inner shell surface and its energy is recycled back into the hot spot. Of the bremsstrahlung radiation emission, ˜40% is deposited in the hot spot, ˜40% is recycled back in the hot spot by ablation off the shell, and ˜20% leaves the hot spot. We show here that the hot spot, shocked shell, and outer shell trajectories from this analytical model are in good agreement with simulations. A detailed discussion of the effect of alpha-heating on the hydrodynamics is also presented.

A comprehensive alpha-heating model for inertial confinement fusion

DOE PAGES

Christopherson, A. R.; Betti, R.; Bose, A.; ...

2018-01-08

In this paper, a comprehensive model is developed to study alpha-heating in inertially confined plasmas. It describes the time evolution of a central low-density hot spot confined by a compressible shell, heated by fusion alphas, and cooled by radiation and thermal losses. The model includes the deceleration, stagnation, and burn phases of inertial confinement fusion implosions, and is valid for sub-ignited targets with ≤10× amplification of the fusion yield from alpha-heating. The results of radiation-hydrodynamic simulations are used to derive realistic initial conditions and dimensionless parameters for the model. It is found that most of the alpha energy (~90%) producedmore » before bang time is deposited within the hot spot mass, while a small fraction (~10%) drives mass ablation off the inner shell surface and its energy is recycled back into the hot spot. Of the bremsstrahlung radiation emission, ~40% is deposited in the hot spot, ~40% is recycled back in the hot spot by ablation off the shell, and ~20% leaves the hot spot. We show here that the hot spot, shocked shell, and outer shell trajectories from this analytical model are in good agreement with simulations. Finally, a detailed discussion of the effect of alpha-heating on the hydrodynamics is also presented.« less

Optimization of Biosorptive Removal of Dye from Aqueous System by Cone Shell of Calabrian Pine

PubMed Central

Deniz, Fatih

2014-01-01

The biosorption performance of raw cone shell of Calabrian pine for C.I. Basic Red 46 as a model azo dye from aqueous system was optimized using Taguchi experimental design methodology. L9 (33) orthogonal array was used to optimize the dye biosorption by the pine cone shell. The selected factors and their levels were biosorbent particle size, dye concentration, and contact time. The predicted dye biosorption capacity for the pine cone shell from Taguchi design was obtained as 71.770 mg g−1 under optimized biosorption conditions. This experimental design provided reasonable predictive performance of dye biosorption by the biosorbent (R 2: 0.9961). Langmuir model fitted better to the biosorption equilibrium data than Freundlich model. This displayed the monolayer coverage of dye molecules on the biosorbent surface. Dubinin-Radushkevich model and the standard Gibbs free energy change proposed physical biosorption for predominant mechanism. The logistic function presented the best fit to the data of biosorption kinetics. The kinetic parameters reflecting biosorption performance were also evaluated. The optimization study revealed that the pine cone shell can be an effective and economically feasible biosorbent for the removal of dye. PMID:25405213

Modeling L2,3-Edge X-ray Absorption Spectroscopy with Real-Time Exact Two-Component Relativistic Time-Dependent Density Functional Theory.

PubMed

Kasper, Joseph M; Lestrange, Patrick J; Stetina, Torin F; Li, Xiaosong

2018-04-10

X-ray absorption spectroscopy is a powerful technique to probe local electronic and nuclear structure. There has been extensive theoretical work modeling K-edge spectra from first principles. However, modeling L-edge spectra directly with density functional theory poses a unique challenge requiring further study. Spin-orbit coupling must be included in the model, and a noncollinear density functional theory is required. Using the real-time exact two-component method, we are able to variationally include one-electron spin-orbit coupling terms when calculating the absorption spectrum. The abilities of different basis sets and density functionals to model spectra for both closed- and open-shell systems are investigated using SiCl 4 and three transition metal complexes, TiCl 4 , CrO 2 Cl 2 , and [FeCl 6 ] 3- . Although we are working in the real-time framework, individual molecular orbital transitions can still be recovered by projecting the density onto the ground state molecular orbital space and separating contributions to the time evolving dipole moment.

On the time-variable nature of Titan's obliquity

NASA Astrophysics Data System (ADS)

Noyelles, Benoit; Nimmo, Francis

2014-05-01

Titan presents an unexpectedly high obliquity (Stiles et al. 2008, Meriggiola & Iess 2012) while its topography and gravity suggest a non-hydrostatic ice shell (Hemingway et al. 2013). We here present a 6-dof model of the rotation of Titan simultaneously simulating the full orientation of the shell and the inner core, and considering a global subsurface ocean with a partially-compensated shell of spatially-variable thickness. Between 10 and 13% of our realistic interior models induce a resonance with the annual forcing, that dramatically raises the obliquity. The relevant model Titans are composed of a 130-140 km thick shell floating on a ~250 km thick ocean. The observed obliquity should not be considered as a mean one but as an instantaneous one, that should vary by ~7 arcmin over the duration of the Cassini mission.

Systematic shell-model study on spectroscopic properties from light to heavy nuclei

NASA Astrophysics Data System (ADS)

Yuan, Cenxi

2018-05-01

A systematic shell-model study is performed to study the spectroscopic properties from light to heavy nuclei, such as binding energies, energy levels, electromagnetic properties, and β decays. The importance of cross-shell excitation is shown in the spectroscopic properties of neutron-rich boron, carbon, nitrogen, and oxygen isotopes. A special case is presented for low-lying structure of 14C. The weakly bound effect of proton 1s1/2 orbit is necessary for the description of the mirror energy difference in the nuclei around A=20. Some possible isomers are predicted in the nuclei in the southeast region of 132Sn based on a newly suggested Hamiltonian. A preliminary study on the nuclei around 208Pb are given to show the ability of the shell model in the heavy nuclei.

Superclustering in the explosion scenario. II - Prolate spheroidal shells from superconducting cosmic strings

NASA Technical Reports Server (NTRS)

Borden, David; Ostriker, Jeremiah P.; Weinberg, David H.

1989-01-01

If galaxies form on shells, then clusters of galaxies should form at the vertices where three shells intersect. Weinberg, Ostriker, and Dekel (WOD, 1989) studied this picture quantitatively and found that an intersecting spherical shell model reproduces many of the properties of the observed distribution of galaxy clusters, but that too much superclustering is produced. In this paper, the WOD analysis is repeated with prolate spheroids that could be created by superconducting cosmic strings. It is found that most of the attractive features of the WOD model are maintained in the more general case and there is slight improvement in some aspects, but that the overall problem of excessive superclustering is not really alleviated.

Buckling of circular cylindrical shells under dynamically applied axial loads

NASA Technical Reports Server (NTRS)

Tulk, J. D.

1972-01-01

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

Damage Tolerance of Large Shell Structures

NASA Technical Reports Server (NTRS)

Minnetyan, L.; Chamis, C. C.

1999-01-01

Progressive damage and fracture of large shell structures is investigated. A computer model is used for the assessment of structural response, progressive fracture resistance, and defect/damage tolerance characteristics. Critical locations of a stiffened conical shell segment are identified. Defective and defect-free computer models are simulated to evaluate structural damage/defect tolerance. Safe pressurization levels are assessed for the retention of structural integrity at the presence of damage/ defects. Damage initiation, growth, accumulation, and propagation to fracture are included in the simulations. Damage propagation and burst pressures for defective and defect-free shells are compared to evaluate damage tolerance. Design implications with regard to defect and damage tolerance of a large steel pressure vessel are examined.

Curved Thermopiezoelectric Shell Structures Modeled by Finite Element Analysis

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun

2000-01-01

"Smart" structures composed of piezoelectric materials may significantly improve the performance of aeropropulsion systems through a variety of vibration, noise, and shape-control applications. The development of analytical models for piezoelectric smart structures is an ongoing, in-house activity at the NASA Glenn Research Center at Lewis Field focused toward the experimental characterization of these materials. Research efforts have been directed toward developing analytical models that account for the coupled mechanical, electrical, and thermal response of piezoelectric composite materials. Current work revolves around implementing thermal effects into a curvilinear-shell finite element code. This enhances capabilities to analyze curved structures and to account for coupling effects arising from thermal effects and the curved geometry. The current analytical model implements a unique mixed multi-field laminate theory to improve computational efficiency without sacrificing accuracy. The mechanics can model both the sensory and active behavior of piezoelectric composite shell structures. Finite element equations are being implemented for an eight-node curvilinear shell element, and numerical studies are being conducted to demonstrate capabilities to model the response of curved piezoelectric composite structures (see the figure).

Morphological and mechanical changes in juvenile red-eared slider turtle (Trachemys scripta elegans) shells during ontogeny.

PubMed

Fish, Jennifer F; Stayton, Charles T

2014-04-01

Turtles experience numerous modifications in the morphological, physiological, and mechanical characteristics of their shells through ontogeny. Although a general picture is available of the nature of these modifications, few quantitative studies have been conducted on changes in turtle shell shape through ontogeny, and none on changes in strength or rigidity. This study investigates the morphological and mechanical changes that juvenile Trachemys scripta elegans undergo as they increase in size. Morphology and shell rigidity were quantified in a sample of 36 alcohol-preserved juvenile Trachemys scripta elegans. Morphometric information was used to create finite element models of all specimens. These models were used to assess the mechanical behavior of the shells under various loading conditions. Overall, we find that turtles experience complementary changes in size, shape, deformability, and relative strength as they grow. As turtles age their shells become larger, more elongate, relatively flatter, and more rigid. These changes are associated with decreases in relative (size independent) strength, even though the shells of larger turtles are stronger in an absolute sense. Decreased deformability is primarily due to changes in the size of the animals. Residual variation in deformability cannot be explained by changes in shell shape. This variation is more likely due to changes in the degree of connectedness of the skeletal elements in the turtle's shells, along with changes in the thickness and degree of mineralization of shell bone. We suggest that the mechanical implications of shell size, shape, and deformability may have a large impact on survivorship and development in members of this species as they mature. Copyright © 2013 Wiley Periodicals, Inc.

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.

Building Atoms Shell by Shell.

ERIC Educational Resources Information Center

Sussman, Beverly

1993-01-01

Describes an atom-building activity where students construct three-dimensional models of atoms using a styrofoam ball as the nucleus and pom-poms, gum drops, minimarshmallows, or other small items of two different colors to represent protons and neutrons attached. Rings of various sizes with pom-poms attached represent electron shells and…

Enceladus's ice shell thickness and ocean depth from gravity, topography, and libration measurements

NASA Astrophysics Data System (ADS)

Trinh, A.; Rivoldini, A.; Beuthe, M.; Rekier, J.; Baland, R. M.; Van Hoolst, T.

2017-12-01

One of Cassini's major achievements is the discovery of a global ocean a few kilometres beneath Enceladus's south polar terrain. Here we infer the thickness of Enceladus's ice shell and ocean from Cassini's observations using our latest models of isostatic compensation, shell libration, and ocean dynamics.

Thickness constraints on the icy shells of the galilean satellites from a comparison of crater shapes.

PubMed

Schenk, Paul M

2002-05-23

A thin outer ice shell on Jupiter's large moon Europa would imply easy exchange between the surface and any organic or biotic material in its putative subsurface ocean. The thickness of the outer ice shell is poorly constrained, however, with model-dependent estimates ranging from a few kilometres to ten or more kilometres. Here I present measurements of depths of impact craters on Europa, Ganymede and Callisto that reveal two anomalous transitions in crater shape with diameter. The first transition is probably related to temperature-dependent ductility of the crust at shallow depths (7 8 km on Europa). The second transition is attributed to the influence of subsurface oceans on all three satellites, which constrains Europa's icy shell to be at least 19 km thick. The icy lithospheres of Ganymede and Callisto are equally ice-rich, but Europa's icy shell has a thermal structure about 0.25 0.5 times the thicknesses of Ganymede's or Callisto's shells, depending on epoch. The appearances of the craters on Europa are inconsistent with thin-ice-shell models and indicate that exchange of oceanic and surface material could be difficult.

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

Kinetic Energy Transfer Process in a Double Shell Leading to Robust Burn

NASA Astrophysics Data System (ADS)

Montgomery, D. S.; Daughton, W. S.; Albright, B. J.; Wilson, D. C.; Loomis, E. N.; Merritt, E. C.; Dodd, E. S.; Kirkpatrick, R. C.; Watt, R. G.; Rosen, M. D.

2017-10-01

A goal of double shell capsule implosions is to impart sufficient internal energy to the D-T fuel at stagnation in order to obtain robust α-heating and burn with low hot spot convergence, C.R. < 10. A simple description of the kinetic energy transfer from the outer shell to the inner shell is found using shock physics and adiabatic compression, and compares well with 1D modeling. An isobaric model for the stagnation phase of the inner shell is used to determine the ideal partition of internal energy in the D-T fuel. Robust burn of the fuel requires, at minimum, that α-heating exceeds the rate of cooling by expansion of the hot spot so that the yield occurs before the hot spot disassembles, which is then used to define a minimum requirement for robust burn. One potential advantage of a double shell capsule compared to single shell capsules is the use of a heavy metal pusher, which may lead to a longer hot spot disassembly time. We present these analytic results and compare them to 1D and 2D radiation-hydrodynamic simulations. Work performed under the auspices of DOE by LANL under contract DE-AC52-06NA25396.

Simulating Self-Assembly with Simple Models

NASA Astrophysics Data System (ADS)

Rapaport, D. C.

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

The conformal hyperplet

NASA Astrophysics Data System (ADS)

Faux, Michael

2017-05-01

We introduce a finite off-shell hypermultiplet with no off-shell central charge. This requires 192+192 degrees of freedom, all but 8+8 of which are auxiliary or gauge. In the absence of supergravity, the model has a saddle-point vacuum instability implying ghost-like propagators. These are cured by realizing the model superconformally, such that the erstwhile ghosts are realized as compensators. Gauge fixing these links the physical hypermultiplets to supergravity. This evokes the prospect of realizing 𝒩 = 4 super-Yang-Mills theory off-shell.

Mathematical modeling of shell configurations made of homogeneous and composite materials experiencing intensive short actions and large displacements

NASA Astrophysics Data System (ADS)

Khairnasov, K. Z.

2018-04-01

The paper presents a mathematical model for solving the problem of behavior of shell configurations under the action of static and dynamic impacts. The problem is solved in geometrically nonlinear statement with regard to the finite element method. The composite structures with different material layers are considered. The obtained equations are used to study the behavior of shell configurations under the action of dynamic loads. The results agree well with the experimental data.

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

Applications of Shell-Model Techniques to N = 50 Nuclei.

NASA Astrophysics Data System (ADS)

Ji, Xiangdong

Traditional shell-model techniques, which involve setting up and diagonalizing model Hamiltonians in a finite Hilbert space, have been used to treat the N = 50 isotones. A model space with active f_{5over 2}, p_{3over 2}, p_{1over 2} and g_{9over 2} proton orbits is used to simulate the low-lying excitations of these isotones. An effective Hamiltonian which consists of one-body and two-body interactions is obtained by varying a total of 69 parameters to fit over 140 experimental energy levels in nuclei ranging from ^{82 }Ge to ^{96}Pd. The structures of the model wavefunctions calculated with the empirical model Hamiltonian are analyzed and compared with experimental measurements. It is found that the overall level systematics of N = 50 nuclei are well described by the model treatment. In particular, for the nuclei heavier than ^{88}Sr, the present results are not essentially different from those obtained in the p_{1over 2}-g_ {9over 2} model space, and for those lighter than ^{88}Sr, the wavefunctions are dominated by f_{5 over 2}-p_{3over 2}-p _{1over2} configurations. The model predictions for very proton-deficient, very unstable nuclei are presented for further experimental verification. Spectroscopic factors for single-proton-transfer reactions and M1 and E2 transition rates and moments are calculated using these model wavefunctions. Effective strengths of electromagnetic operators are adjusted in order to achieve the best agreement between the model predictions and experimental data. The effective proton charge is determined to be 1.9 e. The spin g-factor is found to be quenched by 16 percent for the fp shell orbits and by 29 percent for the g_{9over 2 } orbit. A new shell-model code which is capable of performing shell-model calculations in a general LS -coupling basis has been constructed. The code can be implemented with shell-model truncation schemes for both the LS -coupling limit and the seniority limit. Examples from the Ni isotopes are used to illustrate applications of the code.

Ab initio description of p-shell hypernuclei.

PubMed

Wirth, Roland; Gazda, Daniel; Navrátil, Petr; Calci, Angelo; Langhammer, Joachim; Roth, Robert

2014-11-07

We present the first ab initio calculations for p-shell single-Λ hypernuclei. For the solution of the many-baryon problem, we develop two variants of the no-core shell model with explicit Λ and Σ(+),Σ(0),Σ(-) hyperons including Λ-Σ conversion, optionally supplemented by a similarity renormalization group transformation to accelerate model-space convergence. In addition to state-of-the-art chiral two- and three-nucleon interactions, we use leading-order chiral hyperon-nucleon interactions and a recent meson-exchange hyperon-nucleon interaction. We validate the approach for s-shell hypernuclei and apply it to p-shell hypernuclei, in particular to (Λ)(7)Li, (Λ)(9)Be, and (Λ)(13)C. We show that the chiral hyperon-nucleon interactions provide ground-state and excitation energies that generally agree with experiment within the cutoff dependence. At the same time we demonstrate that hypernuclear spectroscopy provides tight constraints on the hyperon-nucleon interactions.

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.

High spin structure and intruder configurations in 31P

NASA Astrophysics Data System (ADS)

Ionescu-Bujor, M.; Iordachescu, A.; Napoli, D. R.; Lenzi, S. M.; Mărginean, N.; Otsuka, T.; Utsuno, Y.; Ribas, R. V.; Axiotis, M.; Bazzacco, D.; Bizzeti-Sona, A. M.; Bizzeti, P. G.; Brandolini, F.; Bucurescu, D.; Cardona, M. A.; De Angelis, G.; De Poli, M.; Della Vedova, F.; Farnea, E.; Gadea, A.; Hojman, D.; Kalfas, C. A.; Kröll, Th.; Lunardi, S.; Martínez, T.; Mason, P.; Pavan, P.; Quintana, B.; Alvarez, C. Rossi; Ur, C. A.; Vlastou, R.; Zilio, S.

2006-02-01

The nucleus 31P has been studied in the 24Mg(16O,2αp) reaction with a 70-MeV 16O beam. A complex level scheme extended up to spins 17/2+ and 15/2-, on positive and negative parity, respectively, has been established. Lifetimes for the new states have been investigated by the Doppler shift attenuation method. Two shell-model calculations have been performed to describe the experimental data, one by using the code ANTOINE in a valence space restricted to the sd shell, and the other by applying the Monte Carlo shell model in a valence space including the sd-fp shells. The latter calculation indicates that intruder excitations, involving the promotion of a T=0 proton-neutron pair to the fp shell, play a dominant role in the structure of the positive-parity high-spin states of 31P.

A Hybrid Evaluation System Framework (Shell & Web) with Standardized Access to Climate Model Data and Verification Tools for a Clear Climate Science Infrastructure on Big Data High Performance Computers

NASA Astrophysics Data System (ADS)

Kadow, C.; Illing, S.; Kunst, O.; Cubasch, U.

2014-12-01

The project 'Integrated Data and Evaluation System for Decadal Scale Prediction' (INTEGRATION) as part of the German decadal prediction project MiKlip develops a central evaluation system. The fully operational hybrid features a HPC shell access and an user friendly web-interface. It employs one common system with a variety of verification tools and validation data from different projects in- and outside of MiKlip. The evaluation system is located at the German Climate Computing Centre (DKRZ) and has direct access to the bulk of its ESGF node including millions of climate model data sets, e.g. from CMIP5 and CORDEX. The database is organized by the international CMOR standard using the meta information of the self-describing model, reanalysis and observational data sets. Apache Solr is used for indexing the different data projects into one common search environment. This implemented meta data system with its advanced but easy to handle search tool supports users, developers and their tools to retrieve the required information. A generic application programming interface (API) allows scientific developers to connect their analysis tools with the evaluation system independently of the programming language used. Users of the evaluation techniques benefit from the common interface of the evaluation system without any need to understand the different scripting languages. Facilitating the provision and usage of tools and climate data increases automatically the number of scientists working with the data sets and identify discrepancies. Additionally, the history and configuration sub-system stores every analysis performed with the evaluation system in a MySQL database. Configurations and results of the tools can be shared among scientists via shell or web-system. Therefore, plugged-in tools gain automatically from transparency and reproducibility. Furthermore, when configurations match while starting a evaluation tool, the system suggests to use results already produced by other users-saving CPU time, I/O and disk space. This study presents the different techniques and advantages of such a hybrid evaluation system making use of a Big Data HPC in climate science. website: www-miklip.dkrz.de visitor-login: guest password: miklip

A Hybrid Evaluation System Framework (Shell & Web) with Standardized Access to Climate Model Data and Verification Tools for a Clear Climate Science Infrastructure on Big Data High Performance Computers

NASA Astrophysics Data System (ADS)

Kadow, Christopher; Illing, Sebastian; Kunst, Oliver; Ulbrich, Uwe; Cubasch, Ulrich

2015-04-01

The project 'Integrated Data and Evaluation System for Decadal Scale Prediction' (INTEGRATION) as part of the German decadal prediction project MiKlip develops a central evaluation system. The fully operational hybrid features a HPC shell access and an user friendly web-interface. It employs one common system with a variety of verification tools and validation data from different projects in- and outside of MiKlip. The evaluation system is located at the German Climate Computing Centre (DKRZ) and has direct access to the bulk of its ESGF node including millions of climate model data sets, e.g. from CMIP5 and CORDEX. The database is organized by the international CMOR standard using the meta information of the self-describing model, reanalysis and observational data sets. Apache Solr is used for indexing the different data projects into one common search environment. This implemented meta data system with its advanced but easy to handle search tool supports users, developers and their tools to retrieve the required information. A generic application programming interface (API) allows scientific developers to connect their analysis tools with the evaluation system independently of the programming language used. Users of the evaluation techniques benefit from the common interface of the evaluation system without any need to understand the different scripting languages. Facilitating the provision and usage of tools and climate data increases automatically the number of scientists working with the data sets and identify discrepancies. Additionally, the history and configuration sub-system stores every analysis performed with the evaluation system in a MySQL database. Configurations and results of the tools can be shared among scientists via shell or web-system. Therefore, plugged-in tools gain automatically from transparency and reproducibility. Furthermore, when configurations match while starting a evaluation tool, the system suggests to use results already produced by other users-saving CPU time, I/O and disk space. This study presents the different techniques and advantages of such a hybrid evaluation system making use of a Big Data HPC in climate science. website: www-miklip.dkrz.de visitor-login: click on "Guest"

Risk Based Inspection Methodology and Software Applied to Atmospheric Storage Tanks

NASA Astrophysics Data System (ADS)

Topalis, P.; Korneliussen, G.; Hermanrud, J.; Steo, Y.

2012-05-01

A new risk-based inspection (RBI) methodology and software is presented in this paper. The objective of this work is to allow management of the inspections of atmospheric storage tanks in the most efficient way, while, at the same time, accident risks are minimized. The software has been built on the new risk framework architecture, a generic platform facilitating efficient and integrated development of software applications using risk models. The framework includes a library of risk models and the user interface is automatically produced on the basis of editable schemas. This risk-framework-based RBI tool has been applied in the context of RBI for above-ground atmospheric storage tanks (AST) but it has been designed with the objective of being generic enough to allow extension to the process plants in general. This RBI methodology is an evolution of an approach and mathematical models developed for Det Norske Veritas (DNV) and the American Petroleum Institute (API). The methodology assesses damage mechanism potential, degradation rates, probability of failure (PoF), consequence of failure (CoF) in terms of environmental damage and financial loss, risk and inspection intervals and techniques. The scope includes assessment of the tank floor for soil-side external corrosion and product-side internal corrosion and the tank shell courses for atmospheric corrosion and internal thinning. It also includes preliminary assessment for brittle fracture and cracking. The data are structured according to an asset hierarchy including Plant, Production Unit, Process Unit, Tag, Part and Inspection levels and the data are inherited / defaulted seamlessly from a higher hierarchy level to a lower level. The user interface includes synchronized hierarchy tree browsing, dynamic editor and grid-view editing and active reports with drill-in capability.

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.

Numerical treatment of a geometrically nonlinear planar Cosserat shell model

NASA Astrophysics Data System (ADS)

Sander, Oliver; Neff, Patrizio; Bîrsan, Mircea

2016-05-01

We present a new way to discretize a geometrically nonlinear elastic planar Cosserat shell. The kinematical model is similar to the general six-parameter resultant shell model with drilling rotations. The discretization uses geodesic finite elements (GFEs), which leads to an objective discrete model which naturally allows arbitrarily large rotations. GFEs of any approximation order can be constructed. The resulting algebraic problem is a minimization problem posed on a nonlinear finite-dimensional Riemannian manifold. We solve this problem using a Riemannian trust-region method, which is a generalization of Newton's method that converges globally without intermediate loading steps. We present the continuous model and the discretization, discuss the properties of the discrete model, and show several numerical examples, including wrinkling of thin elastic sheets in shear.

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.

Improved ceramic slip casting technique. [application to aircraft model fabrication

NASA Technical Reports Server (NTRS)

Buck, Gregory M. (Inventor); Vasquez, Peter (Inventor)

1993-01-01

A primary concern in modern fluid dynamics research is the experimental verification of computational aerothermodynamic codes. This research requires high precision and detail in the test model employed. Ceramic materials are used for these models because of their low heat conductivity and their survivability at high temperatures. To fabricate such models, slip casting techniques were developed to provide net-form, precision casting capability for high-purity ceramic materials in aqueous solutions. In previous slip casting techniques, block, or flask molds made of plaster-of-paris were used to draw liquid from the slip material. Upon setting, parts were removed from the flask mold and cured in a kiln at high temperatures. Casting detail was usually limited with this technique -- detailed parts were frequently damaged upon separation from the flask mold, as the molded parts are extremely delicate in the uncured state, and the flask mold is inflexible. Ceramic surfaces were also marred by 'parting lines' caused by mold separation. This adversely affected the aerodynamic surface quality of the model as well. (Parting lines are invariably necessary on or near the leading edges of wings, nosetips, and fins for mold separation. These areas are also critical for flow boundary layer control.) Parting agents used in the casting process also affected surface quality. These agents eventually soaked into the mold, the model, or flaked off when releasing the case model. Different materials were tried, such as oils, paraffin, and even an algae. The algae released best, but some of it remained on the model and imparted an uneven texture and discoloration on the model surface when cured. According to the present invention, a wax pattern for a shell mold is provided, and an aqueous mixture of a calcium sulfate-bonded investment material is applied as a coating to the wax pattern. The coated wax pattern is then dried, followed by curing to vaporize the wax pattern and leave a shell mold of the calcium sulfate-bonded investment material. The shell mold is cooled to room temperature, and a ceramic slip is poured therein. After a ceramic shell of desired thickness has set up in the shell mold, excess ceramic slip is poured out. While still wet, the shell mold is peeled from the ceramic shell to expose any delicate or detailed parts, after which the ceramic shell is cured to provide a complete, detailed, precision ceramic article without parting lines.

Models of Interacting Stellar Winds

NASA Astrophysics Data System (ADS)

Wilkin, Francis Patrick

Stars drive supersonic winds which interact violently with their surroundings. Analytic and numerical models of hypersonic, interacting circumstellar flows are presented for several important astrophysical problems. A new solution method for steady-state, axisymmetric, wind collision problems is applied to radiative bow shocks from moving stars and to the collision of two spherical winds in a binary star system. The solutions obtained describe the shape of the geometrically thin, shocked shell of matter, as well as its mass surface density and the tangential velocity within it. Analytic solutions are also obtained for non-axisymmetric bow shocks, where the asymmetry arises due to either a transverse gradient in the ambient medium, or a misaligned, axisymmetric stellar wind. While the solutions are all easily scaled in terms of their relevant dimensional parameters, the important assumption of radiative shocks implies that the models are most applicable towards systems with dense environments and low preshock velocities. The bow shock model has previously been applied to cometary, ultracompact HII regions by Van Buren et al. (1990), who discussed extensively the applicability of the thin shell approximation. I next model the collision between a protostellar wind and supersonic infall from a rotating cloud, employing a quasi-steady, thin-shell formulation. The spherical wind is initially crushed to the protostellar surface by nearly spherical infall. The centrifugal distortion of infalling matter eventually permits a wind-supported, trapped bubble to slowly expand on an evolutionary (~ 105 yr) time. The shell becomes progressively more extended along the rotational axis, due to the asymmetry of the infall. When the quasi-steady assumption breaks down, the shell has become a needle-like, bipolar configuration that may represent a precursor to protostellar jets. I stress, however, the likelihood of instability for the shell, and the possibility of oscillatory behavior in a fully time-dependent model.

Rare-Earth-Free Permanent Magnets for Electrical Vehicle Motors and Wind Turbine Generators: Hexagonal Symmetry Based Materials Systems Mn-Bi and M-type Hexaferrite

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

Hong, Yang-Ki; Haskew, Timothy; Myryasov, Oleg

2014-06-05

The research we conducted focuses on the rare-earth (RE)-free permanent magnet by modeling, simulating, and synthesizing exchange coupled two-phase (hard/soft) RE-free core-shell nano-structured magnet. The RE-free magnets are made of magnetically hard core materials (high anisotropy materials including Mn-Bi-X and M-type hexaferrite) coated by soft shell materials (high magnetization materials including Fe-Co or Co). Therefore, our research helps understand the exchange coupling conditions of the core/shell magnets, interface exchange behavior between core and shell materials, formation mechanism of core/shell structures, stability conditions of core and shell materials, etc.

Free vibrations of a multilayered non-circular cylindrical shell

NASA Astrophysics Data System (ADS)

Zelinskaya, Anna V.

2018-05-01

Free vibrations of an elastic non-circular cylindrical shell of intermediate length are considered. The shell is assumed heterogeneous in the thickness direction, in its part it may be multilayered. In order to derive the equations of stability, we use the Timoshenko-Reissner model. According to it, a shell that is heterogeneous can be replaced by a homogeneous shell with the equivalent bending and transversal shear stiffness. We obtain the approximate asymptotic formula for a frequency that takes into account an influence of a transversal shear and a variability of a directrix curvature. As an example, a three-layer elliptical shell with hinged edges and a soft middle layer is analyzed.

The initiation and persistence of cracks in Enceladus' ice shell

NASA Astrophysics Data System (ADS)

Rudolph, M. L.; Jordan, J.; Manga, M.; Hawkins, E. K.; Grannan, A. M.; Reinhard, A.; Farough, A.; Mittal, T.; Hernandez, J. A.

2016-12-01

The eruption of water from a global ocean underlying Enceladus' ice shell requires; i. a mechanism to create stresses sufficient to produce cracks that reach the ocean, ii. that the ascent of water through the crack must be fast enough to keep the crack from freezing. We develop models for the evolution of stresses in the ice shell and overpressure in the ocean, the propagation of cracks into the ice shell, and the melting of ice caused by the eruption of water through the cracks. We show that modest cooling of Enceladus' interior can produce extensional stresses in the ice shell sufficient to overcome the tensile strength of ice. We show that the resultant ice shell cracks can penetrate to depths greater than 10 km. Cracks of 10 km are required to reach the interior oceans of Enceladus in the polar regions. After crack formation, we show that the present eruption rate is sufficient to keep cracks from freezing below the water-table, at which water boils and subsequently erupts. The ascent of warm water from Enceladus' ocean widens the cracks and thins the ice shell in the South Polar Terrain (SPT). Model predictions show that a crack with the minimum, sufficient heat flow to persist without freezing, would thin the surrounding ice shell by about a factor of two. This calculation for heat flow is consistent with observed heat fluxes at the surface and recent inferences of the ice shell thickness in the SPT based on the shape and gravity of Enceladus.

Geometrically nonlinear analysis of layered composite plates and shells

NASA Technical Reports Server (NTRS)

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

1983-01-01

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

Effect of the shell material and confinement type on the conversion efficiency of core/shell quantum dot nanocrystal solar cells.

PubMed

Sahin, Mehmet

2018-05-23

In this study, the effects of the shell material and confinement type on the conversion efficiency of core/shell quantum dot nanocrystal (QDNC) solar cells have been investigated in detail. For this purpose, the conventional, i.e. original, detailed balance model, developed by Shockley and Queisser to calculate an upper limit for the conversion efficiency of silicon p-n junction solar cells, is modified in a simple and effective way to calculate the conversion efficiency of core/shell QDNC solar cells. Since the existing model relies on the gap energy ([Formula: see text]) of the solar cell, it does not make an estimation about the effect of QDNC materials on the efficiency of the solar cells, and gives the same efficiency values for several QDNC solar cells with the same [Formula: see text]. The proposed modification, however, estimates a conversion efficiency in relation to the material properties and also the confinement type of the QDNCs. The results of the modified model show that, in contrast to the original one, the conversion efficiencies of different QDNC solar cells, even if they have the same [Formula: see text], become different depending upon the confinement type and shell material of the core/shell QDNCs, and this is crucial in the design and fabrication of the new generation solar cells to predict the confinement type and also appropriate QDNC materials for better efficiency.

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

NASA Astrophysics Data System (ADS)

Rossikhin, Yury A.; Shitikova, Marina V.

2013-06-01

The collision of two elastic or viscoelastic spherical shells is investigated as a model for the dynamic response of a human head impacted by another head or by some spherical object. Determination of the impact force that is actually being transmitted to bone will require the model for the shock interaction of the impactor and human head. This model is indended to be used in simulating crash scenarios in frontal impacts, and provide an effective tool to estimate the severity of effect on the human head and to estimate brain injury risks. The model developed here suggests that after the moment of impact quasi-longitudinal and quasi-transverse shock waves are generated, which then propagate along the spherical shells. The solution behind the wave fronts is constructed with the help of the theory of discontinuities. It is assumed that the viscoelastic features of the shells are exhibited only in the contact domain, while the remaining parts retain their elastic properties. In this case, the contact spot is assumed to be a plane disk with constant radius, and the viscoelastic features of the shells are described by the fractional derivative standard linear solid model. In the case under consideration, the governing differential equations are solved analytically by the Laplace transform technique. It is shown that the fractional parameter of the fractional derivative model plays very important role, since its variation allows one to take into account the age-related changes in the mechanical properties of bone.

Modelling the carbon AGB star R Sculptoris. Constraining the dust properties in the detached shell based on far-infrared and sub-millimeter observations

NASA Astrophysics Data System (ADS)

Brunner, M.; Maercker, M.; Mecina, M.; Khouri, T.; Kerschbaum, F.

2018-06-01

Context. On the asymptotic giant branch (AGB), Sun-like stars lose a large portion of their mass in an intensive wind and enrich the surrounding interstellar medium with nuclear processed stellar material in the form of molecular gas and dust. For a number of carbon-rich AGB stars, thin detached shells of gas and dust have been observed. These shells are formed during brief periods of increased mass loss and expansion velocity during a thermal pulse, and open up the possibility to study the mass-loss history of thermally pulsing AGB stars. Aims: We study the properties of dust grains in the detached shell around the carbon AGB star R Scl and aim to quantify the influence of the dust grain properties on the shape of the spectral energy distribution (SED) and the derived dust shell mass. Methods: We modelled the SED of the circumstellar dust emission and compared the models to observations, including new observations of Herschel/PACS and SPIRE (infrared) and APEX/LABOCA (sub-millimeter). We derived present-day mass-loss rates and detached shell masses for a variation of dust grain properties (opacities, chemical composition, grain size, and grain geometry) to quantify the influence of changing dust properties to the derived shell mass. Results: The best-fitting mass-loss parameters are a present-day dust mass-loss rate of 2 × 10-10 M⊙ yr-1 and a detached shell dust mass of (2.9 ± 0.3) × 10-5 M⊙. Compared to similar studies, the uncertainty on the dust mass is reduced by a factor of 4. We find that the size of the grains dominates the shape of the SED, while the estimated dust shell mass is most strongly affected by the geometry of the dust grains. Additionally, we find a significant sub-millimeter excess that cannot be reproduced by any of the models, but is most likely not of thermal origin. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

Nonlinear dynamics of shells conveying pulsatile flow with pulse-wave propagation. Theory and numerical results for a single harmonic pulsation

NASA Astrophysics Data System (ADS)

Tubaldi, Eleonora; Amabili, Marco; Païdoussis, Michael P.

2017-05-01

In deformable shells conveying pulsatile flow, oscillatory pressure changes cause local movements of the fluid and deformation of the shell wall, which propagate downstream in the form of a wave. In biomechanics, it is the propagation of the pulse that determines the pressure gradient during the flow at every location of the arterial tree. In this study, a woven Dacron aortic prosthesis is modelled as an orthotropic circular cylindrical shell described by means of the Novozhilov nonlinear shell theory. Flexible boundary conditions are considered to simulate connection with the remaining tissue. Nonlinear vibrations of the shell conveying pulsatile flow and subjected to pulsatile pressure are investigated taking into account the effects of the pulse-wave propagation. For the first time in literature, coupled fluid-structure Lagrange equations of motion for a non-material volume with wave propagation in case of pulsatile flow are developed. The fluid is modeled as a Newtonian inviscid pulsatile flow and it is formulated using a hybrid model based on the linear potential flow theory and considering the unsteady viscous effects obtained from the unsteady time-averaged Navier-Stokes equations. Contributions of pressure and velocity propagation are also considered in the pressure drop along the shell and in the pulsatile frictional traction on the internal wall in the axial direction. A numerical bifurcation analysis employs a refined reduced order model to investigate the dynamic behavior of a pressurized Dacron aortic graft conveying blood flow. A pulsatile time-dependent blood flow model is considered by applying the first harmonic of the physiological waveforms of velocity and pressure during the heart beating period. Geometrically nonlinear vibration response to pulsatile flow and transmural pulsatile pressure, considering the propagation of pressure and velocity changes inside the shell, is here presented via frequency-response curves, time histories, bifurcation diagrams and Poincaré maps. It is shown that traveling waves of pressure and velocity cause a delay in the radial displacement of the shell at different values of the axial coordinate. The effect of different pulse wave velocities is also studied. Comparisons with the corresponding ideal case without wave propagation (i.e. with the same pulsatile velocity and pressure at any point of the shell) are here discussed. Bifurcation diagrams of Poincaré maps obtained from direct time integration have been used to study the system in the spectral neighborhood of the fundamental natural frequency. By increasing the forcing frequency, the response undergoes very complex nonlinear dynamics (chaos, amplitude modulation and period-doubling bifurcation), here deeply investigated.

Spherical-shell boundaries for two-dimensional compressible convection in a star

NASA Astrophysics Data System (ADS)

Pratt, J.; Baraffe, I.; Goffrey, T.; Geroux, C.; Viallet, M.; Folini, D.; Constantino, T.; Popov, M.; Walder, R.

2016-10-01

Context. Studies of stellar convection typically use a spherical-shell geometry. The radial extent of the shell and the boundary conditions applied are based on the model of the star investigated. We study the impact of different two-dimensional spherical shells on compressible convection. Realistic profiles for density and temperature from an established one-dimensional stellar evolution code are used to produce a model of a large stellar convection zone representative of a young low-mass star, like our sun at 106 years of age. Aims: We analyze how the radial extent of the spherical shell changes the convective dynamics that result in the deep interior of the young sun model, far from the surface. In the near-surface layers, simple small-scale convection develops from the profiles of temperature and density. A central radiative zone below the convection zone provides a lower boundary on the convection zone. The inclusion of either of these physically distinct layers in the spherical shell can potentially affect the characteristics of deep convection. Methods: We perform hydrodynamic implicit large eddy simulations of compressible convection using the MUltidimensional Stellar Implicit Code (MUSIC). Because MUSIC has been designed to use realistic stellar models produced from one-dimensional stellar evolution calculations, MUSIC simulations are capable of seamlessly modeling a whole star. Simulations in two-dimensional spherical shells that have different radial extents are performed over tens or even hundreds of convective turnover times, permitting the collection of well-converged statistics. Results: To measure the impact of the spherical-shell geometry and our treatment of boundaries, we evaluate basic statistics of the convective turnover time, the convective velocity, and the overshooting layer. These quantities are selected for their relevance to one-dimensional stellar evolution calculations, so that our results are focused toward studies exploiting the so-called 321D link. We find that the inclusion in the spherical shell of the boundary between the radiative and convection zones decreases the amplitude of convective velocities in the convection zone. The inclusion of near-surface layers in the spherical shell can increase the amplitude of convective velocities, although the radial structure of the velocity profile established by deep convection is unchanged. The impact of including the near-surface layers depends on the speed and structure of small-scale convection in the near-surface layers. Larger convective velocities in the convection zone result in a commensurate increase in the overshooting layer width and a decrease in the convective turnover time. These results provide support for non-local aspects of convection.

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.

Core-Shell Processing of Natural Pigment: Upper Palaeolithic Red Ochre from Lovas, Hungary

PubMed Central

Sajó, István E.; Kovács, János; Fitzsimmons, Kathryn E.; Jáger, Viktor; Lengyel, György; Viola, Bence; Talamo, Sahra; Hublin, Jean-Jacques

2015-01-01

Ochre is the common archaeological term for prehistoric pigments. It is applied to a range of uses, from ritual burials to cave art to medications. While a substantial number of Palaeolithic paint mining pits have been identified across Europe, the link between ochre use and provenance, and their antiquity, has never yet been identified. Here we characterise the mineralogical signature of core-shell processed ochre from the Palaeolithic paint mining pits near Lovas in Hungary, using a novel integration of petrographic and mineralogical techniques. We present the first evidence for core-shell processed, natural pigment that was prepared by prehistoric people from hematitic red ochre. This involved combining the darker red outer shell with the less intensely coloured core to efficiently produce an economical, yet still strongly coloured, paint. We demonstrate the antiquity of the site as having operated between 14–13 kcal BP, during the Epigravettian period. This is based on new radiocarbon dating of bone artefacts associated with the quarry site. The dating results indicate the site to be the oldest known evidence for core-shell pigment processing. We show that the ochre mined at Lovas was exported from the site based on its characteristic signature at other archaeological sites in the region. Our discovery not only provides a methodological framework for future characterisation of ochre pigments, but also provides the earliest known evidence for “value-adding” of products for trade. PMID:26147808

Reduced Magnetism in Core–Shell Magnetite@MOF Composites

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

Elsaidi, Sameh K.; Sinnwell, Michael A.; Banerjee, Debasis

Rare-earth elements (REEs) have significant commercial and military uses.1-3 However, REE extraction through conventional mining processes is expensive and feasible at only a few locations worldwide. Alternative methods are needed to produce REEs from more geographically disperse resources and in a cost effective, environmental friendly manner.4,5 Among various sources, geothermal brine, used for generating geothermal energy can possess attractive concentrations (ppb to ppm level) of REEs along with other dissolved metal ions.6 A system that can selectively trap the REEs using an existing geothermal power plant infrastructure would be an attractive additional revenue stream for the plant operator that couldmore » accelerate the development and deployment of geothermal plants in the United States and rest of the world.7,8 Here, we demonstrate a magnetic core-shell approach that can effectively extract REEs in their ionic form from aqueous solution with up to 99.99% removal efficiency. The shell, composed of thermally and chemically stable functionalized metal-organic framework (MOF), is grown over a synthesized Fe3O4 magnetic core. Magnetic susceptibility of the particles was found to decline significantly after in situ growth of a MOF shell, which resulted from oxidation of Fe2+ species of the magnetite (Fe3O4) to Fe3+ species (maghemite). The core-shell particles can be completely removed from the mixture under an applied magnetic field, offering a practical, economic, and efficient REE-removal process.« less

Parameter identification of material constants in a composite shell structure

NASA Technical Reports Server (NTRS)

Martinez, David R.; Carne, Thomas G.

1988-01-01

One of the basic requirements in engineering analysis is the development of a mathematical model describing the system. Frequently comparisons with test data are used as a measurement of the adequacy of the model. An attempt is typically made to update or improve the model to provide a test verified analysis tool. System identification provides a systematic procedure for accomplishing this task. The terms system identification, parameter estimation, and model correlation all refer to techniques that use test information to update or verify mathematical models. The goal of system identification is to improve the correlation of model predictions with measured test data, and produce accurate, predictive models. For nonmetallic structures the modeling task is often difficult due to uncertainties in the elastic constants. A finite element model of the shell was created, which included uncertain orthotropic elastic constants. A modal survey test was then performed on the shell. The resulting modal data, along with the finite element model of the shell, were used in a Bayes estimation algorithm. This permitted the use of covariance matrices to weight the confidence in the initial parameter values as well as confidence in the measured test data. The estimation procedure also employed the concept of successive linearization to obtain an approximate solution to the original nonlinear estimation problem.

Discovery of a New Wolf-Rayet Star Using SAGE-LMC

NASA Astrophysics Data System (ADS)

Gvaramadze, V. V.; Chené, A.-N.; Kniazev, A. Y.; Schnurr, O.

2012-12-01

We report the first-ever discovery of an extragalactic Wolf-Rayet (WR) star with Spitzer. A new WR star in the Large Magellanic Cloud (LMC) was revealed via detection of its circumstellar shell using 24 μm images obtained in the framework of the Spitzer Survey of the Large Magellanic Cloud (SAGE-LMC). Subsequent spectroscopic observations with the Gemini South resolved the central star in two components, one of which is a WN3b+abs star, while the second one is a B0 V star. We consider the lopsided brightness distribution over the circumstellar shell as an indication that the WR star is a runaway and use this interpretation to identify a possible parent cluster of the star.

Vibrations and structureborne noise in space station

NASA Technical Reports Server (NTRS)

Vaicaitis, R.; Lyrintzis, C. S.; Bofilios, D. A.

1987-01-01

Analytical models were developed to predict vibrations and structureborne noise generation of cylindrical and rectangular acoustic enclosures. These models are then used to determine structural vibration levels and interior noise to random point input forces. The guidelines developed could provide preliminary information on acoustical and vibrational environments in space station habitability modules under orbital operations. The structural models include single wall monocoque shell, double wall shell, stiffened orthotropic shell, descretely stiffened flat panels, and a coupled system composed of a cantilever beam structure and a stiffened sidewall. Aluminum and fiber reinforced composite materials are considered for single and double wall shells. The end caps of the cylindrical enclosures are modeled either as single or double wall circular plates. Sound generation in the interior space is calculated by coupling the structural vibrations to the acoustic field in the enclosure. Modal methods and transfer matrix techniques are used to obtain structural vibrations. Parametric studies are performed to determine the sensitivity of interior noise environment to changes in input, geometric and structural conditions.

Study of Shell Zone Formation in Lithographic and Anodizing Quality Aluminum Alloys: Experimental and Numerical Approach

NASA Astrophysics Data System (ADS)

Brochu, Christine; Larouche, André; Hark, Robert

Shell thickness is an important quality factor for lithographic and anodizing quality aluminum alloys. Increasing pressure is placed on casting plants to produce a thinner shell zone for these alloys. This study, based on plant trials and mathematical modelling highlights the most significant parameters influencing shell zone formation. Results obtained show the importance of metal temperature and distribution and mould metal level on shell zone formation. As an answer to specific plant problems, this study led to the development of improved metal distribution systems for DC casting of litho and anodizing quality alloys.

A surface crack in shells under mixed-mode loading conditions

NASA Technical Reports Server (NTRS)

Joseph, P. F.; Erdogan, F.

1988-01-01

The present consideration of a shallow shell's surface crack under general loading conditions notes that while the mode I state can be separated, modes II and III remain coupled. A line spring model is developed to formulate the part-through crack problem under mixed-mode conditions, and then to consider a shallow shell of arbitrary curvature having a part-through crack located on the outer or the inner surface of the shell; Reissner's transverse shear theory is used to formulate the problem under the assumption that the shell is subjected to all five moment and stress resultants.

Modeling the carbon isotope composition of bivalve shells (Invited)

NASA Astrophysics Data System (ADS)

Romanek, C.

2010-12-01

The stable carbon isotope composition of bivalve shells is a valuable archive of paleobiological and paleoenvironmental information. Previous work has shown that the carbon isotope composition of the shell is related to the carbon isotope composition of dissolved inorganic carbon (DIC) in the ambient water in which a bivalve lives, as well as metabolic carbon derived from bivalve respiration. The contribution of metabolic carbon varies among organisms, but it is generally thought to be relatively low (e.g., <10%) in shells from aquatic organism and high (>90%) in the shells from terrestrial organisms. Because metabolic carbon contains significantly more C-12 than DIC, negative excursions from the expected environmental (DIC) signal are interpreted to reflect an increased contribution of metabolic carbon in the shell. This observation contrasts sharply with modeled carbon isotope compositions for shell layers deposited from the inner extrapallial fluid (EPF). Previous studies have shown that growth lines within the inner shell layer of bivalves are produced during periods of anaerobiosis when acidic metabolic byproducts (e.g., succinic acid) are neutralized (or buffered) by shell dissolution. This requires the pH of EPF to decrease below ambient levels (~7.5) until a state of undersaturation is achieved that promotes shell dissolution. This condition may occur when aquatic bivalves are subjected to external stressors originating from ecological (predation) or environmental (exposure to atm; low dissolved oxygen; contaminant release) pressures; normal physiological processes will restore the pH of EPF when the pressure is removed. As a consequence of this process, a temporal window should also exist in EPF at relatively low pH where shell carbonate is deposited at a reduced saturation state and precipitation rate. For example, EPF chemistry should remain slightly supersaturated with respect to aragonite given a drop of one pH unit (6.5), but under closed conditions, equilibrium carbon isotope fractionation relations dictate that shell carbonate should be preferentially enriched in C-13 by 3 to 5 per mill (from 30° to 0°C) compared to EPF at a pH of 7.5. Anomalous positive excursions are rarely, if ever, observed in shell carbonate and they have yet to be associated with growth cessation markers in bivalves. The most likely explanation for the lack of anomalous positive values is that the percentage of metabolic carbon increases in EPF when bivalves experience stressful condition. This influx of metabolic carbon is balanced to a measureable extent by the enhanced fractionation of carbon isotopes during shell deposition from EPF at relatively low pH. These two processes may be combined in a quantitative model to extract a historical record of metabolic activity from the carbon isotope profiles of bivalve shells.

The Climate Data Analytic Services (CDAS) Framework.

NASA Astrophysics Data System (ADS)

Maxwell, T. P.; Duffy, D.

2016-12-01

Faced with unprecedented growth in climate data volume and demand, NASA has developed the Climate Data Analytic Services (CDAS) framework. This framework enables scientists to execute data processing workflows combining common analysis operations in a high performance environment close to the massive data stores at NASA. The data is accessed in standard (NetCDF, HDF, etc.) formats in a POSIX file system and processed using vetted climate data analysis tools (ESMF, CDAT, NCO, etc.). A dynamic caching architecture enables interactive response times. CDAS utilizes Apache Spark for parallelization and a custom array framework for processing huge datasets within limited memory spaces. CDAS services are accessed via a WPS API being developed in collaboration with the ESGF Compute Working Team to support server-side analytics for ESGF. The API can be accessed using either direct web service calls, a python script, a unix-like shell client, or a javascript-based web application. Client packages in python, scala, or javascript contain everything needed to make CDAS requests. The CDAS architecture brings together the tools, data storage, and high-performance computing required for timely analysis of large-scale data sets, where the data resides, to ultimately produce societal benefits. It is is currently deployed at NASA in support of the Collaborative REAnalysis Technical Environment (CREATE) project, which centralizes numerous global reanalysis datasets onto a single advanced data analytics platform. This service permits decision makers to investigate climate changes around the globe, inspect model trends and variability, and compare multiple reanalysis datasets.

Heat transfer models for predicting Salmonella enteritidis in shell eggs through supply chain distribution.

PubMed

Almonacid, S; Simpson, R; Teixeira, A

2007-11-01

Egg and egg preparations are important vehicles for Salmonella enteritidis infections. The influence of time-temperature becomes important when the presence of this organism is found in commercial shell eggs. A computer-aided mathematical model was validated to estimate surface and interior temperature of shell eggs under variable ambient and refrigerated storage temperature. A risk assessment of S. enteritidis based on the use of this model, coupled with S. enteritidis kinetics, has already been reported in a companion paper published earlier in JFS. The model considered the actual geometry and composition of shell eggs and was solved by numerical techniques (finite differences and finite elements). Parameters of interest such as local (h) and global (U) heat transfer coefficient, thermal conductivity, and apparent volumetric specific heat were estimated by an inverse procedure from experimental temperature measurement. In order to assess the error in predicting microbial population growth, theoretical and experimental temperatures were applied to a S. enteritidis growth model taken from the literature. Errors between values of microbial population growth calculated from model predicted compared with experimentally measured temperatures were satisfactorily low: 1.1% and 0.8% for the finite difference and finite element model, respectively.

Highly selective removal of Hg2+ and Pb2+ by thiol-functionalized Fe3O4@metal-organic framework core-shell magnetic microspheres

NASA Astrophysics Data System (ADS)

Ke, Fei; Jiang, Jing; Li, Yizhi; Liang, Jing; Wan, Xiaochun; Ko, Sanghoon

2017-08-01

In this work, we report a novel type of thiol-functionalized magnetic core-shell metal-organic framework (MOF) microspheres that can be potentially used for selective removal of Hg2+ and Pb2+ in the presence of other background ions from wastewater. The monodisperse Fe3O4@Cu3(btc)2 core-shell magnetic microspheres have been fabricated by a versatile step-by-step assembly strategy. Further, the thiol-functionalized Fe3O4@Cu3(btc)2 magnetic microspheres were successfully synthesized by utilizing a facile postsynthetic strategy. Significantly, the thiol-functionalized Fe3O4@Cu3(btc)2 magnetic microspheres exhibit remarkably selective adsorption affinity for Hg2+ (Kd = 5.98 × 104 mL g-1) and Pb2+ (Kd = 1.23 × 104 mL g-1), while a weaker binding affinity occurred for the other background ions such as Ni2+, Na+, Mg2+, Ca2+, Zn2+ and Cd2+. The adsorption kinetics follow the pseudo-second-order rate equation and with an almost complete removal of Hg2+ and Pb2+ from the mixed heavy metal ions wastewater (0.5 mM) within 120 min. Moreover, this adsorbent can be easily recycled because of the presence of the magnetic Fe3O4 core. This work provides a promising functionalized porous magnetic Fe3O4@MOF-based adsorbent with easy recycling property for the selective removal of heavy metal ions from wastewater.

Core and shell size dependences on strain in core@shell Prussian blue analogue (PBA) nanoparticles and the effect on photomagnetism.

NASA Astrophysics Data System (ADS)

Cain, J. M.; Ferreira, C. F.; Felts, A. C.; Locicero, S. A.; Liang, J.; Talham, D. R.; Meisel, M. W.

RbxCo[Fe(CN)6]y@Ka Ni[Cr(CN)6]b core@shell heterostructures have been shown to exhibit a photoinduced decrease in magnetization that persists up to the Tc = 70 K of the KNiCr-PBA component, which is not photoactive as a single-phase material. A magnetomechanical effect can explain how the strain in the shell evolves from thermal and photoinduced changes in the volume of the core. Moreover, a simple model has been used to estimate the depth of the strained region of the shell, but only one size of core (347 +/- 35 nm) has been studied. Since the strain depth in the shell is expected to be dependent on the size of the core, three distinct RbCoFe-PBA core sizes were synthesized, and on each, three different KNiCr-PBA shell thicknesses were grown. The magnetization of each core-shell combination was measured before and after irradiation with white light. Our results suggest the strain depth, as expected, increases from 56 nm in heterostructures with a core size of 328 +/- 29 nm to more than 90 nm in heterostructures with a core size of 575 +/- 113 nm. The data from the smallest core size also shows features indicating the model may be too simple. Supported by NSF DMR-1405439 (DRT) and DMR-1202033 (MWM).

Roles of nuclear weak rates on the evolution of degenerate cores in stars

NASA Astrophysics Data System (ADS)

Suzuki, Toshio; Tsunodaa, Naofumi; Tsunoda, Yuhsuke; Shimizu, Noritaka; Otsuka, Takaharu

2018-01-01

Electron-capture and β-decay rates in stellar environments are evaluated with the use of new shell-model Hamiltonians for sd-shell and pf-shell nuclei as well as for nuclei belonging to the island of inversion. Important role of the nuclear weak rates on the final evolution of stellar degenerate cores is presented. The weak interaction rates for sd-shell nuclei are calculated to study nuclear Urca processes in O-Ne-Mg cores of stars with 8-10 M⊙ (solar mass) and their effects on the final fate of the stars. Nucleosynthesis of iron-group elements in Type Ia supernova explosions are studied with the weak rates for pf-shell nuclei. The problem of the neutron-rich iron-group isotope over-production compared to the solar abundances is shown to be nearly solved with the use of the new rates and explosion model of slow defraglation with delayed detonation. Evaluation of the weak rates is extended to the island of inversion and the region of neutron-rich nuclei near 78Ni, where two major shells contribute to their configurations.

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.

Biometric, microstructural, and high-resolution trace element studies in Crassostrea gigas of Cantabria (Bay of Biscay, Spain): Anthropogenic and seasonal influences

NASA Astrophysics Data System (ADS)

Higuera-Ruiz, R.; Elorza, J.

2009-04-01

Living Crassostrea gigas oysters of different ages and sizes were collected in three estuaries of Cantabria (Bay of Biscay, Spain): San Vicente de la Barquera Estuary, Santander Bay, and Marismas de Santoña Estuary. The main objective was to determine different shell responses to variable environmental parameters. A shell morphological study, based on three biometric indices, indicates that oysters of Santander Bay have two significant shell anomalies: abnormal thickening of the right valve and loss of vital cavity volume. These shell abnormalities are related with the presence in these waters of the chemical tributyltin. In the other two estuaries, the oysters show no detectable anomalies. Four shell microstructures have been distinguished: Regular Simple Prismatic, Regular Foliated, cone-Complex Cross Foliated, and Chalk. In Santander Bay oysters, the Chalk forms a "root-type" framework, whereas in the other two estuaries it forms a more compact microstructure. It is proposed that exposure to tributyltin has produced this modification. High-spatial-resolution geochemical transects have been carried out on the Regular Foliated microstructure in the umbo region in order to evaluate the distribution of Mg, Sr, and Na. The elements analysed exhibit clear cyclic variations in San Vicente de la Barquera Estuary and Marismas de Santoña Estuary oysters, related with seasonal periods, and characterised by broad maxima during months in which the waters are warmer and have higher salinity. These patterns are buffered in Santander Bay oysters. Our results demonstrate that biometric, microstructural, and high-resolution trace element studies in oyster shells can provide information about contaminants and seasonal variations in the estuarine environment.

Meshless analysis of shear deformable shells: the linear model

NASA Astrophysics Data System (ADS)

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

2013-10-01

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

Curvature-driven morphing of non-Euclidean shells

NASA Astrophysics Data System (ADS)

Pezzulla, Matteo; Stoop, Norbert; Jiang, Xin; Holmes, D. P.

2017-05-01

We investigate how thin structures change their shape in response to non-mechanical stimuli that can be interpreted as variations in the structure's natural curvature. Starting from the theory of non-Euclidean plates and shells, we derive an effective model that reduces a three-dimensional stimulus to the natural fundamental forms of the mid-surface of the structure, incorporating expansion, or growth, in the thickness. Then, we apply the model to a variety of thin bodies, from flat plates to spherical shells, obtaining excellent agreement between theory and numerics. We show how cylinders and cones can either bend more or unroll, and eventually snap and rotate. We also study the nearly isometric deformations of a spherical shell and describe how this shape change is ruled by the geometry of a spindle. As the derived results stem from a purely geometrical model, they are general and scalable.

Quantifying the Impact of Nanoparticle Coatings and Non-uniformities on XPS Analysis: Gold/silver Core-shell Nanoparticles

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

Wang, Yung-Chen Andrew; Engelhard, Mark H.; Baer, Donald R.

2016-03-07

Abstract or short description: Spectral modeling of photoelectrons can serve as a valuable tool when combined with X-ray photoelectron spectroscopy (XPS) analysis. Herein, a new version of the NIST Simulation of Electron Spectra for Surface Analysis (SESSA 2.0) software, capable of directly simulating spherical multilayer NPs, was applied to model citrate stabilized Au/Ag-core/shell nanoparticles (NPs). The NPs were characterized using XPS and scanning transmission electron microscopy (STEM) to determine the composition and morphology of the NPs. The Au/Ag-core/shell NPs were observed to be polydispersed in size, non-circular, and contain off-centered Au-cores. Using the average NP dimensions determined from STEM analysis,more » SESSA spectral modeling indicated that washed Au/Ag-core shell NPs were stabilized with a 0.8 nm l« less

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.

Double-shell Fe2O3 hollow box-like structure for enhanced photo-Fenton degradation of malachite green dye

NASA Astrophysics Data System (ADS)

Jiang, De Bin; Liu, Xiaoying; Xu, Xuan; Zhang, Yu Xin

2018-01-01

In this work we demonstrate the synthesis of novel Fe2O3 nanosheets with double-shell hollow morphology by replica molding from diatomite framework. The nanostructures of Fe2O3 nanosheets were examined by focused-ion-beam scanning electron microscopy (FIB/SEM), X-ray diffraction spectroscopy (XRD), Brunauer-Emmett-Teller (BET) specific surface area measurements and Fourier transform infrared (FT-IR) spectroscopy. The results reveal that (1) Pure Fe2O3 nanosheets were successfully obtained; (2) The double-shell Fe2O3 hollow structure achieved via the NaOH etching silica method was observed; (3) Fe2O3 nanosheets possessed uniformly distributed porous nanosheets. Such structural features enlarged the specific surface area of Fe2O3 nanosheets and led to more catalytic active sites. In the heterogeneous photo-Fenton reaction, the double-shell Fe2O3 hollow morphology exhibited excellent catalytic capability for the degradation of malachite green (MG) at circumneutral pH condition. Under optimum condition, MG solution was almost completely decolorized in 60 min (99.9%). The Fe2O3 nanosheets also showed good stability and recyclability, demonstrating great potential as a promising photo-Fenton catalyst for the effective degradation of MG dye in wastewater.

Nitrogen–doped graphitized carbon shell encapsulated NiFe nanoparticles: A highly durable oxygen evolution catalyst

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

Du, Lei; Luo, Langli; Feng, Zhenxing

Oxygen evolution reaction (OER) plays a crucial role in various energy conversion devices such as water electrolyzers and metal–air batteries. Precious metal catalysts such as Ir, Ru and their oxides are usually used for enhanced reaction kinetics but are limited by their scarce resource. The challenges associated with alternative non–precious metal catalysts such as transition metal oxides and (oxy)hydroxides etc. are their low electronic conductivity and poor durability. Here, we report OER catalysts of NiFe nanoparticles encapsulated by nitrogen–doped graphitized carbon shells derived from bimetallic metal–organic frameworks (MOFs) precursors. The optimal OER catalyst shows excellent activity (360 mV overpotential atmore » 10 mA cm–2GEO) and durability (no obvious degradation after 20 000 cycles). The electron-donation from Fe and tuned electronic structure of metal cores by Ni are revealed to be primary contributors to the enhanced OER activity. We further demonstrated that the structure and morphology of encapsulating carbon shells, which are the key factors influencing the durability, are facilely controlled by chemical state of precursors. Severe metal particle growth probably caused by oxidation of carbon shells and encapsulated nanoparticles is believed to the main mechanism for activity degradation in these catalysts.« less

Greenhouse effect: temperature of a metal sphere surrounded by a glass shell and heated by sunlight

NASA Astrophysics Data System (ADS)

Nguyen, Phuc H.; Matzner, Richard A.

2012-01-01

We study the greenhouse effect on a model satellite consisting of a tungsten sphere surrounded by a thin spherical, concentric glass shell, with a small gap between the sphere and the shell. The system sits in vacuum and is heated by sunlight incident along the z-axis. This development is a generalization of the simple treatment of the greenhouse effect given by Kittel and Kroemer (1980 Thermal Physics (San Francisco: Freeman)) and can serve as a very simple model demonstrating the much more complex Earth greenhouse effect. Solution of the model problem provides an excellent pedagogical tool at the Junior/Senior undergraduate level.

Prompt optical emission from gamma-ray bursts with multiple timescale variability of central engine activities

NASA Astrophysics Data System (ADS)

Xu, Si-Yao; Li, Zhuo

2014-04-01

Complete high-resolution light curves of GRB 080319B observed by Swift present an opportunity for detailed temporal analysis of prompt optical emission. With a two-component distribution of initial Lorentz factors, we simulate the dynamical process of shells being ejected from the central engine in the framework of the internal shock model. The emitted radiations are decomposed into different frequency ranges for a temporal correlation analysis between the light curves in different energy bands. The resulting prompt optical and gamma-ray emissions show similar temporal profiles, with both showing a superposition of a component with slow variability and a component with fast variability, except that the gamma-ray light curve is much more variable than its optical counterpart. The variability in the simulated light curves and the strong correlation with a time lag between the optical and gamma-ray emissions are in good agreement with observations of GRB 080319B. Our simulations suggest that the variations seen in the light curves stem from the temporal structure of the shells injected from the central engine of gamma-ray bursts. Future observations with high temporal resolution of prompt optical emission from GRBs, e.g., by UFFO-Pathfinder and SVOM-GWAC, will provide a useful tool for investigating the central engine activity.

Beta-decay strength and isospin mixing studies in the sd and fp-shells

NASA Astrophysics Data System (ADS)

Jokinen, A.; ńystö, J.; Dendooven, P.; Honkanen, A.; Lipas, P.; Peräjärvi, K.; Oinonen, M.; Siiskonen, T.

1998-12-01

We have studied beta decays of MT<0 nuclei in sd and fp shells. The decay of 41Ti shows a large, 10(8) %, isospin mixing of IAS and the Gamow-Teller strength is observed to be quenched by a factor of q2=0.64. These results can be reproduced qualitatively in our shell model calculations. We have observed for the first time proton and gamma decay of the isobaric analogue state in 23Mg. Our results on the isospin mixing of the isobaric analogue state agrees well with the shell model calculations. The obtained proton branch of the IAS is used to extract the transition strength for the reaction 22Na(p,γ)23Mg.

Colloidal stability of tannins: astringency, wine tasting and beyond

NASA Astrophysics Data System (ADS)

Zanchi, D.; Poulain, C.; Konarev, P.; Tribet, C.; Svergun, D. I.

2008-12-01

Tannin-tannin and tannin-protein interactions in water-ethanol solvent mixtures are studied in the context of red wine tasting. While tannin self-aggregation is relevant for the visual aspect of wine tasting (limpidity and related colloidal phenomena), tannin affinities for salivary proline-rich proteins is fundamental for a wide spectrum of organoleptic properties related to astringency. Tannin-tannin interactions are analyzed in water-ethanol wine-like solvents and the precipitation map is constructed for a typical grape tannin. The interaction between tannins and human salivary proline-rich proteins (PRP) are investigated in the framework of the shell model for micellization, known for describing tannin-induced aggregation of β-casein. Tannin-assisted micellization and compaction of proteins observed by SAXS are described quantitatively and discussed in the case of astringency.

An intelligent tutoring system for space shuttle diagnosis

NASA Technical Reports Server (NTRS)

Johnson, William B.; Norton, Jeffrey E.; Duncan, Phillip C.

1988-01-01

An Intelligent Tutoring System (ITS) transcends conventional computer-based instruction. An ITS is capable of monitoring and understanding student performance thereby providing feedback, explanation, and remediation. This is accomplished by including models of the student, the instructor, and the expert technician or operator in the domain of interest. The space shuttle fuel cell is the technical domain for the project described below. One system, Microcomputer Intelligence for Technical Training (MITT), demonstrates that ITS's can be developed and delivered, with a reasonable amount of effort and in a short period of time, on a microcomputer. The MITT system capitalizes on the diagnostic training approach called Framework for Aiding the Understanding of Logical Troubleshooting (FAULT) (Johnson, 1987). The system's embedded procedural expert was developed with NASA's C-Language Integrated Production (CLIP) expert system shell (Cubert, 1987).

New DMFT capabilities in CASTEP

NASA Astrophysics Data System (ADS)

Plekhanov, Evgeny; Sacksteder, Vincent; Hasnip, Phil; Probert, Matt; Clark, Stewart; Weber, Cedric; Refson, Keith

We present the first implementation of Dynamical Mean-Field Theory in UK's major ab-initio code CASTEP. This implementation: i) is modular; ii) allows great flexibility in choosing local basis set for downfolding/upfolding of self-energy; iii) permits wide choice of impurity solvers (including external solver libraries); and iv) gives the user a possibility to use several self-consistency schemes and calculate total energy and forces. We explain in details the theoretical framework used. We benchmark our implementation on several strongly-correlated insulating systems with d- and f-shells: γ-Ce and Ce2O3 by using Hubbard I and CTHYB-QMC solvers. Our results appear to be in excellent agreement with the reference data published previously in the literature. EPSRC-funded project ''Strong Correlation meets Materials Modelling: DMFT and GW in CASTEP''.

Chiral anomalies and effective vector meson Lagrangian beyond the tree level

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

Dominguez, C.A.

1987-12-01

The decays ..pi../sup O/ ..-->.. ..gamma gamma.., rho ..-->.. ..pi gamma.., ..omega.. ..-->.. ..pi gamma.., ..omega.. ..-->.. 3..pi.. and ..gamma.. ..-->.. 3..pi.. are studied in the framework of the chiral invariant effective Vector Meson Lagrangian beyond the tree level. The standard Lagrangian is enlarged by including an infinite number of radial excitations which are summed according to the dual model. As a result tree level diagrams are modified by a universal form factor at each vertex containing off-mass-shell mesons, but still respecting chiral anomaly low energy theorems. These vertex corrections bring the tree level predictions into better agreement with experiment.more » The presence of the ..omega.. ..-->.. 3..pi.. contact term is confirmed but its strength is considerably smaller than at tree level.« less

EFFECTS OF A DEEP MIXED SHELL ON SOLAR g-MODES, p-MODES, AND NEUTRINO FLUX

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

Wolff, Charles L.

2009-08-10

A mixed-shell model that reflects g-modes away from the Sun's center is developed further by calibrating its parameters and evaluating a mixing mechanism: buoyancy. The shell roughly doubles g-mode oscillation periods and would explain why there is no definitive detection of their periods. But the shell has only minor effects on most p-modes. The model provides a mechanism for causing short-term fluctuations in neutrino flux and makes plausible the correlations between this flux and solar activity levels. Relations are derived for a shell heated asymmetrically by transient increases in nuclear burning in small 'hot spots'. The size of these spotsmore » and the timing of a heating event are governed by sets(l) of standing asymptotic g-modes, coupled by a maximal principle that greatly enhances their excitation and concentrates power toward the equator, assisting the detection of higher-l sets. Signals from all sets, except one, in the range 2 {<=} l {<=} 8 are identified by difference periods between consecutive radial states using the method of Garcia et al. and reinterpreting their latest spectrum. This confirms two detections of sets in a similar range of l by their rotation rates. The mean radius of shell mixing is r{sub m} = 0.16 R{sub sun}, which improves an earlier independent estimate of 0.18 by the author. The shell may cause the unexplained dip in measured sound speed at its location. Another sound speed error, centered near 0.67 R{sub sun}, and reversing flows in the same place with a period originally near 1.3 yr suggest that the g-modes are depositing there about 3% of the solar luminosity. That implies the shell at r{sub m} is receiving a similar magnitude of power, which would be enough energy to mix the corresponding shell in a standard solar model in <<10{sup 7} yr.« less

Structure of the first- and second-neighbor shells of simulated water: Quantitative relation to translational and orientational order

NASA Astrophysics Data System (ADS)

Yan, Zhenyu; Buldyrev, Sergey V.; Kumar, Pradeep; Giovambattista, Nicolas; Debenedetti, Pablo G.; Stanley, H. Eugene

2007-11-01

We perform molecular dynamics simulations of water using the five-site transferable interaction potential (TIP5P) model to quantify structural order in both the first shell (defined by four nearest neighbors) and second shell (defined by twelve next-nearest neighbors) of a central water molecule. We find that the anomalous decrease of orientational order upon compression occurs in both shells, but the anomalous decrease of translational order upon compression occurs mainly in the second shell. The decreases of translational order and orientational order upon compression (called the “structural anomaly”) are thus correlated only in the second shell. Our findings quantitatively confirm the qualitative idea that the thermodynamic, structural, and hence dynamic anomalies of water are related to changes upon compression in the second shell.

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

A detailed view of the gas shell around R Sculptoris with ALMA

NASA Astrophysics Data System (ADS)

Maercker, M.; Vlemmings, W. H. T.; Brunner, M.; De Beck, E.; Humphreys, E. M.; Kerschbaum, F.; Lindqvist, M.; Olofsson, H.; Ramstedt, S.

2016-02-01

Context. During the asymptotic giant branch (AGB) phase, stars undergo thermal pulses - short-lived phases of explosive helium burning in a shell around the stellar core. Thermal pulses lead to the formation and mixing-up of new elements to the stellar surface. They are hence fundamental to the chemical evolution of the star and its circumstellar envelope. A further consequence of thermal pulses is the formation of detached shells of gas and dust around the star, several of which have been observed around carbon-rich AGB stars. Aims: We aim to determine the physical properties of the detached gas shell around R Sculptoris, in particular the shell mass and temperature, and to constrain the evolution of the mass-loss rate during and after a thermal pulse. Methods: We analyse 12CO(1-0), 12CO(2-1), and 12CO(3-2) emission, observed with the Atacama Large Millimeter/submillimeter Array (ALMA) during Cycle 0 and complemented by single-dish observations. The spatial resolution of the ALMA data allows us to separate the detached shell emission from the extended emission inside the shell. We perform radiative transfer modelling of both components to determine the shell properties and the post-pulse mass-loss properties. Results: The ALMA data show a gas shell with a radius of 19.̋5 expanding at 14.3 km s-1. The different scales probed by the ALMA Cycle 0 array show that the shell must be entirely filled with gas, contrary to the idea of a detached shell. The comparison to single-dish spectra and radiative transfer modelling confirms this. We derive a shell mass of 4.5 × 10-3 M⊙ with a temperature of 50 K. Typical timescales for thermal pulses imply a pulse mass-loss rate of 2.3 × 10-5 M⊙ yr-1. For the post-pulse mass-loss rate, we find evidence for a gradual decline of the mass-loss rate, with an average value of 1.6 × 10-5 M⊙ yr-1. The total amount of mass lost since the last thermal pulse is 0.03 M⊙, a factor four higher compared to classical models, with a sharp decline in mass-loss rate immediately after the pulse. Conclusions: We find that the mass-loss rate after a thermal pulse has to decline more slowly than generally expected from models of thermal pulses. This may cause the star to lose significantly more mass during a thermal pulse cycle, which affects the lifetime on the AGB and the chemical evolution of the star, its circumstellar envelope, and the interstellar medium.

The Oscillations of Coronal Loops Including the Shell

NASA Astrophysics Data System (ADS)

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

2005-04-01

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

Examples of Linking Codes Within GeoFramework

NASA Astrophysics Data System (ADS)

Tan, E.; Choi, E.; Thoutireddy, P.; Aivazis, M.; Lavier, L.; Quenette, S.; Gurnis, M.

2003-12-01

Geological processes usually encompass a broad spectrum of length and time scales. Traditionally, a modeling code (solver) is written to solve a problem with specific length and time scales in mind. The utility of the solver beyond the designated purpose is usually limited. Furthermore, two distinct solvers, even if each can solve complementary parts of a new problem, are difficult to link together to solve the problem as a whole. For example, Lagrangian deformation model with visco-elastoplastic crust is used to study deformation near plate boundary. Ideally, the driving force of the deformation should be derived from underlying mantle convection, and it requires linking the Lagrangian deformation model with a Eulerian mantle convection model. As our understanding of geological processes evolves, the need of integrated modeling codes, which should reuse existing codes as much as possible, begins to surface. GeoFramework project addresses this need by developing a suite of reusable and re-combinable tools for the Earth science community. GeoFramework is based on and extends Pyre, a Python-based modeling framework, recently developed to link solid (Lagrangian) and fluid (Eulerian) models, as well as mesh generators, visualization packages, and databases, with one another for engineering applications. Under the framework, a solver is aware of the existence of other solvers and can interact with each other via exchanging information across adjacent boundary. A solver needs to conform a standard interface and provide its own implementation for exchanging boundary information. The framework also provides facilities to control the coordination between interacting solvers. We will show an example of linking two solvers within GeoFramework. CitcomS is a finite element code which solves for thermal convection within a 3D spherical shell. CitcomS can solve for problems either within a full spherical (global) domain or a restricted (regional) domain of a full sphere by using different meshers. We can embed a regional CitcomS solver within a global CitcomS solver. We not that linking instances of the same solver is conceptually equivalent to linking to different solvers. The global solver has a coarser grid and a longer stable time step than the regional solver. Therefore, a global-solver time step consists of several regional-solver time steps. The time-marching scheme is described below. First, the global solver is advanced one global-solver time step. Then, the regional solver is advanced for several regional-solver time steps until it catches up global solver. Within each regional-solver time step, the velocity field of the global solver is interpolated in time and then is imposed to the regional solver as boundary conditions. Finally, the temperature field of the regional solver is extrapolated in space and is fed back to the global. These two solvers are linked and synchronized by the time-marching scheme. An effort to embed a visco-elastoplastic representation of the crust within viscous mantle flow is underway.

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

DOE PAGES

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

2015-01-15

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

Effects of alga polysaccharide capsule shells on in-vivo bioavailability and disintegration

NASA Astrophysics Data System (ADS)

Li, Ting; Guo, Shuju; Ma, Lin; Yuan, Yi; Han, Lijun

2012-01-01

Gelatin has been used in hard capsule shells for more than a century, and some shortcomings have appeared, such as high moisture content and risk of transmitting diseases of animal origin to people. Based on available studies regarding gelatin and vegetable shells, we developed a new type of algal polysaccharide capsule (APPC) shells. To test whether our products can replace commercial gelatin shells, we measured in-vivo plasma concentration of 12 selected volunteers with a model drug, ibuprofen, using high performance liquid chromatography (HPLC), by calculating the relative bioavailability of APPC and Qualicaps® referenced to gelatin capsules and assessing bioequivalence of the three types of shells, and calculated pharmacokinetic parameters with the software DAS 2.0 (China). The results show that APPC shells possess bioequivalence with Qualicaps® and gelatin shells. Moreover, the disintegration behavior of four types of shells (APPC, Vegcaps®, Qualicaps® and gelatin shells) with the content of lactose and radioactive element (99mTc) was observed via gamma-scintigraphic images. The bioavailability and gamma-scintigraphic studies showed that APPC was not statistically different from other vegetable and gelatin capsule shells with respect to in-vivo behavior. Hence, it can be concluded that APPCs are exchangeable with other vegetable and gelatin shells.

How to best smash a snail: the effect of tooth shape on crushing load

PubMed Central

Crofts, S. B.; Summers, A. P.

2014-01-01

Organisms that are durophagous, hard prey consumers, have a diversity of tooth forms. To determine why we see this variation, we tested whether some tooth forms break shells better than others. We measured the force needed with three series of aluminium tooth models, which varied in concavity and the morphology of a stress concentrating cusp, to break a shell. We created functionally identical copies of two intertidal snail shells: the thicker shelled Nucella ostrina and the more ornamented Nucella lamellosa using a three-dimensional printer. In this way, we reduced variation in material properties between test shells, allowing us to test only the interaction of the experimental teeth with the two shell morphologies. We found that for all tooth shapes, thicker shells are harder to break than the thinner shells and that increased ornamentation has no discernible effect. Our results show that for both shell morphologies, domed and flat teeth break shells better than cupped teeth, and teeth with tall or skinny cusps break shells best. While our results indicate that there is an ideal tooth form for shell breaking, we do not see this shape in nature. This suggests a probable trade-off between tooth function and the structural integrity of the tooth. PMID:24430124

Application of a Meso-scale Based Ballistic Fabric Model to the Development of Advanced Lightweight Engine Fan Blade-Out Containment Structure

DTIC Science & Technology

2012-09-01

composed of a basic metallic shell structure with a dry Kevlar wrap around it is considered. The fan blade is made of titanium alloy modeled by a Johnson...material. A multilayered Kevlar woven dry fabric structure is wrapped around the thin aluminum shell to form a soft hybrid fan case. A woven fabric material...debris protection fan case composed of a basic metallic shell structure with a dry Kevlar wrap around it is considered. The fan blade is made of titanium

Dynamics of thin-shell wormholes with different cosmological models

NASA Astrophysics Data System (ADS)

Sharif, Muhammad; Mumtaz, Saadia

This work is devoted to investigate the stability of thin-shell wormholes in Einstein-Hoffmann-Born-Infeld electrodynamics. We also study the attractive and repulsive characteristics of these configurations. A general equation-of-state is considered in the form of linear perturbation which explores the stability of the respective wormhole solutions. We assume Chaplygin, linear and logarithmic gas models to study exotic matter at thin-shell and evaluate stability regions for different values of the involved parameters. It is concluded that the Hoffmann-Born-Infeld parameter and electric charge enhance the stability regions.

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

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

Some New Problems on Shells and Thin Structures

NASA Technical Reports Server (NTRS)

Vlasov, V. S.

1949-01-01

Cylindrical shells of arbitrary section, reinforced by longitudinal and transverse members (stringers and ribs) are considered by us, for a sufficiently close spacing of the ribs, as in our previously published papers (references 1 end 2), as thin-walled orthotropic spatial systems at the cross-sections of which only axial (normal and shearing) forces can arise. The longitudinal bending and twisting moments, due to their weak effect on the stress state of the shell, are taken equal to zero. Along the longitudinal sections of the shell there may arise transverse forces in addition to the normal d shearing forces. Under the so-called static assumptions there is taken for the computation model of the shell a thin-walled spatial system consisting along its length (along a generator) of an infinite number of elementary strips capable of bending. Each of these strips is likened to a curved rod operating in each of its sections not only in tension (compression)but also in transverse bending and shear. The interaction between two adjoining transverse strips in the shell expresses itself in the transmission from one strip to the other of only the normal and shearing stresses. The static structure of the computation model here described is shown in figure 1, where the connections through which the normal and shearing stresses transmitted from one transverse strip to smother are indicated schematically by the rods located in the middle surface of the shell. In addition to the static hypothesis we introduce also geometric hypotheses. According to the latter the elongational deformations of the shell along lines parallel to the generator of its middle surface and the shear deformations in the middle surface, as ma+gitudes having . little effect on the state of the fundamental internal forces of the shell, are taken equal to zero. The deformations of the shell in our computational model are such that in the first place the lines of this surface perpendicular to the generator are inextensible at each point end in the second place the angles between the lines of principal curvature (the coordinate lines) which are straight before the deformation remain straight after the deformation.

Shell-Dependent Photoluminescence Studies Provide Mechanistic Insights into the Off-Grey-On Transitions of Blinking Quantum Dots.

PubMed

Gao, Feng; Bajwa, Pooja; Nguyen, Anh; Heyes, Colin D

2017-03-28

The majority of quantum dot (QD) blinking studies have used a model of switching between two distinct fluorescence intensity levels, "on" and "off". However, a distinct intermediate intensity level has been identified in some recent reports, a so-called "grey" or "dim" state, which has brought this binary model into question. While this grey state has been proposed to result from the formation of a trion, it is still unclear under which conditions it is present in a QD. By performing shell-dependent blinking studies on CdSe QDs, we report that the populations of the grey state and the on state are strongly dependent on both the shell material and its thickness. We found that adding a ZnS shell did not result in a significant population of the grey state. Using ZnSe as the shell material resulted in a slightly higher population of the grey state, although it was still poorly resolved. However, adding a CdS shell resulted in the population of a grey state, which depended strongly on its thickness up to 5 ML. Interestingly, while the frequency of transitions to and from the grey state showed a very strong dependence on CdS shell thickness, the brightness of and the dwell time in the grey state did not. Moreover, we found that the grey state acts as an on-pathway intermediate state between on and off states, with the thickness of the shell determining the transition probability between them. We also identified two types of blinking behavior in QDs, one that showed long-lived but lower intensity on states and another that showed short-lived but brighter on states that also depended on the shell thickness. Intensity-resolved single QD fluorescence lifetime analysis was used to identify the relationship between the various exciton decay pathways and the resulting intensity levels. We used this data to propose a model in which multiple on, grey, and off states exist whose equilibrium populations vary with time that give rise to the various intensity levels of single QDs and which depends on shell composition and thickness.

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

NASA Astrophysics Data System (ADS)

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

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

Layer-by-Layer Self-Assembly of Plexcitonic Nanoparticles

DTIC Science & Technology

2013-08-12

nitrate , trisodium citrate tribasic dihydrate, sodium poly(styrene sulfonate) (PSS, MW ~70,000), poly(diallyldimethyl ammonium chloride ) (PDADMAC...Abstract: Colloidal suspensions of multilayer nanoparticles composed of a silver core, a polyelectrolyte spacer layer (inner shell), and a J-aggregate...multilayer architecture served as a framework for examining the coupling of the localized surface plasmon resonance exhibited by the silver core with

Chemical-mechanical stability of the hierarchical structure of shell nacre

NASA Astrophysics Data System (ADS)

Sun, Jinmei; Guo, Wanlin

2010-02-01

The hierarchical structure and mechanical property of shell nacre are experimentally investigated from the new aspects of chemical stability and chemistry-mechanics coupling. Through chemical deproteinization or demineralization methods together with characterization techniques at micro/nano scales, it is found that the nacre of abalone, haliotis discus hannai, contains a hierarchical structure stacked with irregular aragonite platelets and interplatelet organic matrix thin layers. Yet the aragonite platelet itself is a nanocomposite consisting of nanoparticles and intraplatelet organic matrix framework. The mean diameter of the nanoparticles and the distribution of framework are quite different for different platelets. Though the interplatelet and intraplatelet organic matrix can be both decomposed by sodium hydroxide solution, the chemical stability of individual aragonite platelets is much higher than that of the microstructure stacked with them. Further, macroscopic bending test or nanoindentation experiment is performed on the micro/nanostructure of nacre after sodium hydroxide treatment. It is found that the Young’s modulus of both the stacked microstructure and nanocomposite platelet reduced. The reduction of the microstructure is more remark than that of the platelet. Therefore the chemical-mechanical stability of the nanocomposite platelet itself is much higher than that of the stacked microstructure of nacre.

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

Blended Isogeometric Shells

DTIC Science & Technology

2012-08-01

biomechanical modeling (e.g. arteries). It is also possible to go still fur- ther with the concept and blend shell theories with continuum solid theories in the...spirit of transition elements. Again biomechanical modeling opportunities present themselves, such as for heart-artery models . We also note that all...these blended theories can be developed within the IGA format of exact CAD modeling . The blended formulation presented here is valid for a broad class

Maria Goeppert Mayer, the Nuclear Shell Structure, and Magic Numbers

Science.gov Websites

dropdown arrow Site Map A-Z Index Menu Synopsis Maria Goeppert-Mayer, the Nuclear Shell Model, and Magic explanation of how neutrons and protons within atomic nuclei are structured. Called the "nuclear shell American husband, chemical physicist Joseph Mayer. At Argonne, Goeppert-Mayer learned most of her nuclear

Europa's Great Lakes

NASA Astrophysics Data System (ADS)

Schmidt, B. E.; Blankenship, D. D.; Patterson, G. W.; Schenk, P. M.

2012-04-01

Unique to the surface of Europa, chaos terrain is diagnostic of the properties and dynamics of its icy shell. While models have suggested that partial melt within a thick shell or melt-through of a thin shell may form chaos, neither model has been able to definitively explain all observations of chaos terrain. However, we present a new model that suggests large melt lenses form within the shell and that water-ice interactions above and within these lenses drive the production of chaos. Our analysis of the geomorphology of Conamara Chaos and Thera Macula, was used to infer and test a four-stage lens-collapse chaos formation model: 1) Thermal plumes of warm, pure ice ascend through the shell melting the impure brittle ice above, producing a lake of briny water and surface down draw due to volume reduction. 2) Surface deflection and driving force from the plume below hydraulically seals the water in place. 3) Extension of the brittle ice lid generates fractures from below, allowing brines to enter and fluidize the ice matrix. 4) As the lens and now brash matrix refreeze, thermal expansion creates domes and raises the chaos feature above the background terrain. This new "lense-collapse" model indicates that chaos features form in the presence of a great deal of liquid water, and that large liquid water bodies exist within 3km of Europa's surface comparable in volume to the North American Great Lakes. The detection of shallow subsurface "lakes" implies that the ice shell is recycling rapidly and that Europa may be currently active. In this presentation, we will explore environments on Europa and their analogs on Earth, from collapsing Antarctic ice shelves to to subglacial volcanos in Iceland. I will present these new analyses, and describe how this new perspective informs the debate about Europa's habitability and future exploration.

Generic calculation of two-body partial decay widths at the full one-loop level

NASA Astrophysics Data System (ADS)

Goodsell, Mark D.; Liebler, Stefan; Staub, Florian

2017-11-01

We describe a fully generic implementation of two-body partial decay widths at the full one-loop level in the SARAH and SPheno framework compatible with most supported models. It incorporates fermionic decays to a fermion and a scalar or a gauge boson as well as scalar decays into two fermions, two gauge bosons, two scalars or a scalar and a gauge boson. We present the relevant generic expressions for virtual and real corrections. Whereas wave-function corrections are determined from on-shell conditions, the parameters of the underlying model are by default renormalised in a \\overline{ {DR}} (or \\overline{ {MS}}) scheme. However, the user can also define model-specific counter-terms. As an example we discuss the renormalisation of the electric charge in the Thomson limit for top-quark decays in the standard model. One-loop-induced decays are also supported. The framework additionally allows the addition of mass and mixing corrections induced at higher orders for the involved external states. We explain our procedure to cancel infrared divergences for such cases, which is achieved through an infrared counter-term taking into account corrected Goldstone boson vertices. We compare our results for sfermion, gluino and Higgs decays in the minimal supersymmetric standard model (MSSM) against the public codes SFOLD, FVSFOLD and HFOLD and explain observed differences. Radiatively induced gluino and neutralino decays are compared against the original implementation in SPheno in the MSSM. We exactly reproduce the results of the code CNNDecays for decays of neutralinos and charginos in R-parity violating models. The new version SARAH 4.11.0 by default includes the calculation of two-body decay widths at the full one-loop level. Current limitations for certain model classes are described.

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

NASA Astrophysics Data System (ADS)

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

2014-12-01

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

Impact Crater Morphology and the Structure of Europa's Ice Shell

NASA Astrophysics Data System (ADS)

Silber, Elizabeth A.; Johnson, Brandon C.

2017-12-01

We performed numerical simulations of impact crater formation on Europa to infer the thickness and structure of its ice shell. The simulations were performed using iSALE to test both the conductive ice shell over ocean and the conductive lid over warm convective ice scenarios for a variety of conditions. The modeled crater depth-diameter is strongly dependent on the thermal gradient and temperature of the warm convective ice. Our results indicate that both a fully conductive (thin) shell and a conductive-convective (thick) shell can reproduce the observed crater depth-diameter and morphologies. For the conductive ice shell over ocean, the best fit is an approximately 8 km thick conductive ice shell. Depending on the temperature (255-265 K) and therefore strength of warm convective ice, the thickness of the conductive ice lid is estimated at 5-7 km. If central features within the crater, such as pits and domes, form during crater collapse, our simulations are in better agreement with the fully conductive shell (thin shell). If central features form well after the impact, however, our simulations suggest that a conductive-convective shell (thick shell) is more likely. Although our study does not provide a firm conclusion regarding the thickness of Europa's ice shell, our work indicates that Valhalla class multiring basins on Europa may provide robust constraints on the thickness of Europa's ice shell.

SysSon - A Framework for Systematic Sonification Design

NASA Astrophysics Data System (ADS)

Vogt, Katharina; Goudarzi, Visda; Holger Rutz, Hanns

2015-04-01

SysSon is a research approach on introducing sonification systematically to a scientific community where it is not yet commonly used - e.g., in climate science. Thereby, both technical and socio-cultural barriers have to be met. The approach was further developed with climate scientists, who participated in contextual inquiries, usability tests and a workshop of collaborative design. Following from these extensive user tests resulted our final software framework. As frontend, a graphical user interface allows climate scientists to parametrize standard sonifications with their own data sets. Additionally, an interactive shell allows to code new sonifications for users competent in sound design. The framework is a standalone desktop application, available as open source (for details see http://sysson.kug.ac.at/) and works with data in NetCDF format.

Resonance frequencies of lipid-shelled microbubbles in the regime of nonlinear oscillations

PubMed Central

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

2009-01-01

Knowledge of resonant frequencies of contrast microbubbles is important for the optimization of ultrasound contrast imaging and therapeutic techniques. To date, however, there are estimates of resonance frequencies of contrast microbubbles only for the regime of linear oscillation. The present paper proposes an approach for evaluating resonance frequencies of contrast agent microbubbles in the regime of nonlinear oscillation. The approach is based on the calculation of the time-averaged oscillation power of the radial bubble oscillation. The proposed procedure was verified for free bubbles in the frequency range 1–4 MHz and then applied to lipid-shelled microbubbles insonified with a single 20-cycle acoustic pulse at two values of the acoustic pressure amplitude, 100 kPa and 200 kPa, and at four frequencies: 1.5, 2.0, 2.5, and 3.0 MHz. It is shown that, as the acoustic pressure amplitude is increased, the resonance frequency of a lipid-shelled microbubble tends to decrease in comparison with its linear resonance frequency. Analysis of existing shell models reveals that models that treat the lipid shell as a linear viscoelastic solid appear may be challenged to provide the observed tendency in the behavior of the resonance frequency at increasing acoustic pressure. The conclusion is drawn that the further development of shell models could be improved by the consideration of nonlinear rheological laws. PMID:18977009

Exchange bias for core/shell magnetic nanoparticles

NASA Astrophysics Data System (ADS)

Lemos, C. G. O.; Figueiredo, W.; Santos, M.

2015-09-01

We study the properties of a finite magnetic system to model a magnetic nanoparticle, which is formed by a reduced number of magnetic dipole moments due to the spin of the atoms. The nanoparticle is of the type core/shell where the shell is formed by spins interacting through an antiferromagnetic exchange coupling while for the spins belonging to the core the coupling is ferromagnetic. The interaction between the spins at the interface core/shell can be either ferro or antiferromagnetic. To describe the states of the spins we used the XY model in which the spins are considered as continuous variables, free to point in any direction of the xy plane. We also consider a magnetocrystalline anisotropy, exchange anisotropy and the Zeeman effect. Our model is studied in a lattice with square symmetry, using the Monte Carlo method along with the Metropolis prescription. The results show that in the absence of an external magnetic field and exchange anisotropy, the system continuously goes to a disordered state from an ordered state at a well defined temperature. In the presence of external magnetic fields the system displays the exchange bias phenomenon, that is, the displacement of the hysteresis loops, due to the introduction of the exchange anisotropy term. However, this displacement depends on the core and shell sizes, as well as on the magnitude of the coupling between the shell and the core moments.

Solar radiation stress in climbing snails: behavioural and intrinsic features define the Hsp70 level in natural populations of Xeropicta derbentina (Pulmonata).

PubMed

Di Lellis, Maddalena A; Seifan, Merav; Troschinski, Sandra; Mazzia, Christophe; Capowiez, Yvan; Triebskorn, Rita; Köhler, Heinz-R

2012-11-01

Ectotherms from sunny and hot environments need to cope with solar radiation. Mediterranean land snails of the superfamily Helicoidea feature a behavioural strategy to escape from solar radiation-induced excessive soil heating by climbing up vertical objects. The height of climbing, and also other parameters like shell colouration pattern, shell orientation, shell size, body mass, actual internal and shell surface temperature, and the interactions between those factors may be expected to modulate proteotoxic effects in snails exposed to solar radiation and, thus, their stress response. Focussing on natural populations of Xeropicta derbentina, we conducted a 'snapshot' field study using the individual Hsp70 level as a proxy for proteotoxic stress. In addition to correlation analyses, an IT-model selection approach based on Akaike's Information Criterion was applied to evaluate a set of models with respect to their explanatory power and to assess the relevance of each of the above-mentioned parameters for individual stress, by model averaging and parameter estimation. The analysis revealed particular importance of the individuals' shell size, height above ground, the shell colouration pattern and the interaction height × orientation. Our study showed that a distinct set of behavioural traits and intrinsic characters define the Hsp70 level and that environmental factors and individual features strongly interact.

Mesoscale studies of ionic closed membranes with polyhedral geometries

DOE PAGES

Olvera de la Cruz, Monica

2016-06-01

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

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.

PMMA/PS coaxial electrospinning: core-shell fiber morphology as a function of material parameters

NASA Astrophysics Data System (ADS)

Rahmani, Shahrzad; Arefazar, Ahmad; Latifi, Masoud

2017-03-01

Core-shell fibers of polymethyl methacrylate (PMMA) and polystyrene (PS) have been successfully electrospun by coaxial electrospinning. To evaluate the influence of the solvent on the final fiber morphology, four types of organic solvents were used in the shell solution while the core solvent was preserved. Morphological observations with scanning electron microscopy, transmission electron microscopy and optical microscopy revealed that both core and shell solvent properties were involved in the final fiber morphology. To explain this involvement, alongside a discussion of the Bagley solubility graph of PS and PMMA, a novel criterion based on solvent physical properties was introduced. A theoretical model based on the momentum conservation principle was developed and applied for describing the dependence of the core and shell diameters to their solvent combinations. Different concentrations of core and shell were also investigated in the coaxial electrospinning of PMMA/PS. The core-shell fiber morphologies with different core and shell concentrations were compared with their single electrospun fibers.

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

NASA Astrophysics Data System (ADS)

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

2009-08-01

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

Measurement of the shell decompression in direct-drive inertial-confinement-fusion implosions

DOE PAGES

Michel, D. T.; Hu, S. X.; Davis, A. K.; ...

2017-05-10

Measurement of the effect of adiabat (α) on the shell thickness were performed in direct-drive implosions. When reducing the adiabat of the shell from α = 6 to α = 4:5, the shell thickness was measured to decrease from 75 μm to 60 μm, but when decreasing the adiabat further (α = 1:8), the shell thickness was measured to increase to 75 μm. The measured shell thickness, shell trajectories, neutron bang time, and neutron yield were reproduced by two dimensional simulations that include laser imprint, nonlocal thermal transport, cross-beam energy transfer, and first-principles equation-of-state models. The minimum core size wasmore » measured to decrease from 40 μm to 30 μm, consistent with the reduction of the adiabat from α = 6 to α = 1:8. Simulations that neglected imprint reproduced the measured core size of the entire adiabat scan, but signi cantly underestimate the shell thickness for adiabat below ~3. These results show that the decompression of the shell measured for low-adiabat implosions was a result of laser imprint.« less

Measurement of the shell decompression in direct-drive inertial-confinement-fusion implosions

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

Michel, D. T.; Hu, S. X.; Davis, A. K.

Measurement of the effect of adiabat (α) on the shell thickness were performed in direct-drive implosions. When reducing the adiabat of the shell from α = 6 to α = 4:5, the shell thickness was measured to decrease from 75 μm to 60 μm, but when decreasing the adiabat further (α = 1:8), the shell thickness was measured to increase to 75 μm. The measured shell thickness, shell trajectories, neutron bang time, and neutron yield were reproduced by two dimensional simulations that include laser imprint, nonlocal thermal transport, cross-beam energy transfer, and first-principles equation-of-state models. The minimum core size wasmore » measured to decrease from 40 μm to 30 μm, consistent with the reduction of the adiabat from α = 6 to α = 1:8. Simulations that neglected imprint reproduced the measured core size of the entire adiabat scan, but signi cantly underestimate the shell thickness for adiabat below ~3. These results show that the decompression of the shell measured for low-adiabat implosions was a result of laser imprint.« less

Enceladus's crust as a non-uniform thin shell: I tidal deformations

NASA Astrophysics Data System (ADS)

Beuthe, Mikael

2018-03-01

The geologic activity at Enceladus's south pole remains unexplained, though tidal deformations are probably the ultimate cause. Recent gravity and libration data indicate that Enceladus's icy crust floats on a global ocean, is rather thin, and has a strongly non-uniform thickness. Tidal effects are enhanced by crustal thinning at the south pole, so that realistic models of tidal tectonics and dissipation should take into account the lateral variations of shell structure. I construct here the theory of non-uniform viscoelastic thin shells, allowing for depth-dependent rheology and large lateral variations of shell thickness and rheology. Coupling to tides yields two 2D linear partial differential equations of the fourth order on the sphere which take into account self-gravity, density stratification below the shell, and core viscoelasticity. If the shell is laterally uniform, the solution agrees with analytical formulas for tidal Love numbers; errors on displacements and stresses are less than 5% and 15%, respectively, if the thickness is less than 10% of the radius. If the shell is non-uniform, the tidal thin shell equations are solved as a system of coupled linear equations in a spherical harmonic basis. Compared to finite element models, thin shell predictions are similar for the deformations due to Enceladus's pressurized ocean, but differ for the tides of Ganymede. If Enceladus's shell is conductive with isostatic thickness variations, surface stresses are approximately inversely proportional to the local shell thickness. The radial tide is only moderately enhanced at the south pole. The combination of crustal thinning and convection below the poles can amplify south polar stresses by a factor of 10, but it cannot explain the apparent time lag between the maximum plume brightness and the opening of tiger stripes. In a second paper, I will study the impact of a non-uniform crust on tidal dissipation.

Fabrication and characterization of optical sensors using metallic core-shell thin film nanoislands for ozone detection

NASA Astrophysics Data System (ADS)

Addanki, Satish; Nedumaran, D.

2017-07-01

Core-Shell nanostructures play a vital role in the sensor field owing to their performance improvements in sensing characteristics and well-established synthesis procedures. These nanostructures can be ingeniously tuned to achieve tailored properties for a particular application of interest. In this work, an Ag-Au core-shell thin film nanoislands with APTMS (3-Aminopropyl trimethoxysilane) and PVA (Polyvinyl alcohol) binding agents was modeled, synthesized and characterized. The simulation results were used to fabricate the sensor through chemical route. The results of this study confirmed that the APTMS based Ag-Au core-shell thin film nanoislands offered a better performance over the PVA based Ag-Au core-shell thin film nanoislands. Also, the APTMS based Ag-Au core-shell thin film nanoislands exhibited better sensitivity towards ozone sensing over the other types, viz., APTMS/PVA based Au-Ag core-shell and standalone Au/Ag thin film nanoislands.

Fossil shell emission in dying radio loud AGNs

NASA Astrophysics Data System (ADS)

Kino, M.; Ito, H.; Kawakatu, N.; Orienti, M.; Nagai, H.; Wajima, K.; Itoh, R.

2016-02-01

We investigate shell emission associated with dying radio loud AGNs. First, based on our recent work by Ito et al. (2015), we describe the dynamical and spectral evolution of shells after stopping the jet energy injection. We find that the shell emission overwhelms that of the radio lobes soon after stopping the jet energy injection because fresh electrons are continuously supplied into the shell via the forward shock, while the radio lobes rapidly fade out without jet energy injection. We find that such fossil shells can be a new class of target sources for SKA telescope. Next, we apply the model to the nearby radio source 3C84. Then, we find that the fossil shell emission in 3C84 is less luminous in the radio band while it is bright in the TeV γ-ray band and can be detectable by CTA. Data from STELLA

Planktic foraminifera form their shells by attachment of metastable carbonate particles

NASA Astrophysics Data System (ADS)

Wirth, R.; Jacob, D. E.; Eggins, S.

2016-12-01

Planktic foraminifera shells contribute up to half the inorganic carbon exported from the surface ocean to the seafloor. Their tiny calcium carbonate shells are preserved in sediments as calcite, and provide our most valuable geochemical archive of changes surface ocean conditions and climate spanning the last 100 million years. Here we show the shells of living planktic foraminifers Orbulina universa and Neogloboquadrina dutertrei consist of nano-particulate vaterite and amorphous calcium carbonate. This indicates formation via a non-classical crystallization pathway involving metastable carbonate intermediate phases before transforming to calcite, and requires a new perspective on how geochemical proxies are incorporated into planktic foraminifer shells. Our findings indicate planktic foraminifer shells could be far more susceptible to dissolution and ocean acidification than previously thought, and account for unexpected shell dissolution above the calcite saturation horizon in the ocean, which is a major uncertainty in modelling oceanic carbon fluxes.

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

NASA Astrophysics Data System (ADS)

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

2015-04-01

Context. A large number of Be stars exhibit intensity variations of their violet and red emission peaks in their H i lines observed in emission. This is the so-called V/R phenomenon, usually explained by the precession of a one-armed spiral density perturbation in the circumstellar disk. That global-disk oscillation scenario was confirmed, both observationally and theoretically, in the previous series of two papers analyzing the Be shell star ζ Tauri. The vertically averaged (2D) global-disk oscillation model used at the time was able to reproduce the V/R variations observed in Hα, as well as the spatially resolved interferometric data from AMBER/VLTI. Unfortunately, that model failed to reproduce the V/R phase of Br15 and the amplitude of the polarization variation, suggesting that the inner disk structure predicted by the model was incorrect. Aims: The first aim of the present paper is to quantify the temporal variations of the shell-line characteristics of ζ Tauri. The second aim is to better understand the physics underlying the V/R phenomenon by modeling the shell-line variations together with the V/R and polarimetric variations. The third aim is to test a new 2.5D disk oscillation model, which solves the set of equations that describe the 3D perturbed disk structure but keeps only the equatorial (i.e., 2D) component of the solution. This approximation was adopted to allow comparisons with the previous 2D model, and as a first step toward a future 3D model. Methods: We carried out an extensive analysis of ζ Tauri's spectroscopic variations by measuring various quantities characterizing its Balmer line profiles: red and violet emission peak intensities (for Hα, Hβ, and Br15), depth and asymmetry of the shell absorption (for Hβ, Hγ, and Hδ), and the respective position (i.e., radial velocity) of each component. We attempted to model the observed variations by implementing in the radiative transfer code HDUST the perturbed disk structure computed with a recently developed 2.5D global-disk oscillation model. Results: The observational analysis indicates that the peak separation and the position of the shell absorption both exhibit variations following the V/R variations and, thus, may provide good diagnostic tools of the global-disk oscillation phenomenon. The shell absorption seems to become slightly shallower close to the V/R maximum, but the scarcity of the data does not allow the exact pattern to be identified. The asymmetry of the shell absorption does not seem to correlate with the V/R cycle; no significant variations of this parameter are observed, except during certain periods where Hα and Hβ exhibit perturbed emission profiles. The origin of these so-called triple-peak phases remains unknown. On the theoretical side, the new 2.5D formalism appears to improve the agreement with the observed V/R variations of Hα and Br15, under the proviso that a large value of the viscosity parameter, α = 0.8, be adopted. It remains challenging for the models to reproduce consistently the amplitude and the average level of the polarization data. The 2D formalism provides a better match to the peak separation, although the variation amplitude predicted by both the 2D and 2.5D models is smaller than the observed value. Shell-line variations are difficult for the models to reproduce, whatever formalism is adopted. Appendices are available in electronic form at http://www.aanda.org

The Mendelian inheritance of rare flesh and shell colour variants in the black-lipped pearl oyster (Pinctada margaritifera).

PubMed

Ky, Chin-Long; Nakasai, Seiji; Pommier, Steve; Sham Koua, Manaarii; Devaux, Dominique

2016-10-01

Pinctada margaritifera is French Polynesia's most economically important aquaculture species. This pearl oyster has the specific ability to produce cultured pearls with a very wide range of colours, depending on the colour phenotypes of donor oysters used. Its aquaculture is still based on natural spat collection from wild stocks. We investigated three rare colour variants of P. margaritifera - orange flesh, and red and white shell colour phenotypes - in comparison with the wild-type black flesh and shell commonly found in this species. The study aimed to assess the geographic distribution and genetic basis of these colour variants. Colour frequencies were evaluated during transfer and graft processes of pearl oyster seed captured at collector stations. Among the collection locations studied, Mangareva Island showed the highest rate of the orange flesh phenotype, whereas Takaroa and Takume atolls had relatively high rates of red and white shell phenotypes respectively. Broodstocks were made of these rare colour variants, and crosses were performed to produce first- and second-generation progenies to investigate segregation. The results were consistent with Mendelian ratios and suggest a distinct model with no co-dominance: (i) a two-allele model for flesh trait, whereby the orange allele is recessive to the black fleshed type, and (ii) a three-allele model for shell trait, whereby the black wild-type allele is dominant to the red coloration, which is dominant to the white shell. Furthermore, the proposed model provides the basis for producing selected donor pearl oyster lines through hatchery propagation. © 2016 Stichting International Foundation for Animal Genetics.

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.

Precise Near IR Radial Velocity First Light Observations With iSHELL

NASA Astrophysics Data System (ADS)

Cale, Bryson L.; Plavchan, Peter; Gagné, Jonathan; Gao, Peter; Nishimoto, America; Tanner, Angelle; Walp, Bernie; Brinkworth, Carolyn; Johnson, John Asher; Vasisht, Gautam

2018-01-01

We present our current progress on obtaining precise radial velocities with the new iSHELL spectrograph at NASA's Infrared Telescope Facility. To obtain precise RV's, we use a methane isotopologue absorption gas cell in the calibration unit. Over the past year, we've collected 3-12 epochs of 17 bright G, K, and M dwarfs at a high SNR. By focusing on late type type stars, we obtain relatively higher SNR in the near infrared. We've successfully updated both our spectral and RV extraction pipelines, with a few exceptions. Inherent to the iSHELL data is a wavelength dependent fringing component, which must be incorporated into our model to obtain adequate RV precision. With iSHELL's predecessor, CSHELL, we obtained a precision of 3 m/s on the bright M giant SV Peg. With further progress on our fringing and telluric models, we hope to obtain a precision of <3 m/s with iSHELL, sufficient to detect terrestrial planets in the habitable zone of nearby M dwarfs.

Spatially distributed modal signals of free shallow membrane shell structronic system

NASA Astrophysics Data System (ADS)

Yue, H. H.; Deng, Z. Q.; Tzou, H. S.

2008-11-01

Based on the smart material and structronics technology, distributed sensor and control of shell structures have been rapidly developed for the last 20 years. This emerging technology has been utilized in aerospace, telecommunication, micro-electromechanical systems and other engineering applications. However, distributed monitoring technique and its resulting global spatially distributed sensing signals of shallow paraboloidal membrane shells are not clearly understood. In this paper, modeling of free flexible paraboloidal shell with spatially distributed sensor, micro-sensing signal characteristics, and location of distributed piezoelectric sensor patches are investigated based on a new set of assumed mode shape functions. Parametric analysis indicates that the signal generation depends on modal membrane strains in the meridional and circumferential directions in which the latter is more significant than the former, when all bending strains vanish in membrane shells. This study provides a modeling and analysis technique for distributed sensors laminated on lightweight paraboloidal flexible structures and identifies critical components and regions that generate significant signals.