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.

Analyzing non-LTE Kr plasmas produced in high energy density experiments: from the Z machine to the National Ignition Facility

NASA Astrophysics Data System (ADS)

Dasgupta, Arati

2015-11-01

Designing high fluence photon sources above 10 keV are a challenge for High Energy Density plasmas. This has motivated radiation source development investigations of Kr with K-shell energies around 13 keV. Recent pulsed power driven gas-puff experiments on the refurbished Z machine at Sandia have produced intense X-rays in the multi-keV photon energy range. K-shell radiative yields and efficiencies are very high for Ar, but rapidly decrease for higher atomic number (ZA) elements such as Kr. It has been suggested that an optimum exists corresponding to a trade-off between the increase of photon energy for higher ZA elements and the corresponding fall off in radiative power. However the conversion efficiency on NIF, where the drive, energy deposition process, and target dynamics are different, does not fall off with higher ZA as rapidly as on Z. We have developed detailed atomic structure and collisional data for the full K-, L- and partial M-shell of Kr using the Flexible Atomic Code (FAC). Our non-LTE atomic model includes all collisional and recombination processes, including state-specific dielectronic recombination (DR), that significantly affect ionization balance and spectra of Kr plasmas at the temperatures and densities of concern. The model couples ionization physics, radiation production and transport, and magnetohydrodynamics. In this talk, I will give a detailed description of the model and discuss 1D Kr simulations employing a multifrequency radiation transport scheme. Synthetic K- and L-shell spectra will be compared with available experimental data. This talk will analyze experimental data indicative of the differences between Z and NIF experimental data and discuss how they affect the K-shell radiative output of Kr plasma. Work supported by DOE/NNSA.

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.

Hybrid configuration mixing model for odd nuclei

NASA Astrophysics Data System (ADS)

Colò, G.; Bortignon, P. F.; Bocchi, G.

2017-03-01

In this work, we introduce a new approach which is meant to be a first step towards complete self-consistent low-lying spectroscopy of odd nuclei. So far, we essentially limit ourselves to the description of a double-magic core plus an extra nucleon. The model does not contain any free adjustable parameter and is instead based on a Hartree-Fock (HF) description of the particle states in the core, together with self-consistent random-phase approximation (RPA) calculations for the core excitations. We include both collective and noncollective excitations, with proper care of the corrections due to the overlap between them (i.e., due to the nonorthonormality of the basis). As a consequence, with respect to traditional particle-vibration coupling calculations in which one can only address single-nucleon states and particle-vibration multiplets, we can also describe states of shell-model types like 2 particle-1 hole. We will report results for 49Ca and 133Sb and discuss future perspectives.

Model of resonant high harmonic generation in multi-electron systems

NASA Astrophysics Data System (ADS)

Redkin, P. V.; Ganeev, R. A.

2017-09-01

We extend the 4-step analytical model of resonant enhancement of high harmonic generation to the systems possessing resonant transitions of inner-shell electrons. Resonant enhancement is explained by lasing without inversion in a three-level system of ground, excited and shifted resonant states, which are coupled to the fundamental field and its high harmonics. The role of inelastic scattering is studied by simulation of an excited state’s population dynamics. It is shown that maximal gain is achieved when the energy shift between the excited state and resonant state is close to the energy of the fundamental photon. To prove the concept we demonstrate the enhancement of harmonics in the In plasma using different pumps.

A new multi-layer approach for progressive damage simulation in composite laminates based on isogeometric analysis and Kirchhoff-Love shells. Part II: impact modeling

NASA Astrophysics Data System (ADS)

Pigazzini, M. S.; Bazilevs, Y.; Ellison, A.; Kim, H.

2017-11-01

In this two-part paper we introduce a new formulation for modeling progressive damage in laminated composite structures. We adopt a multi-layer modeling approach, based on isogeometric analysis, where each ply or lamina is represented by a spline surface, and modeled as a Kirchhoff-Love thin shell. Continuum damage mechanics is used to model intralaminar damage, and a new zero-thickness cohesive-interface formulation is introduced to model delamination as well as permitting laminate-level transverse shear compliance. In Part I of this series we focus on the presentation of the modeling framework, validation of the framework using standard Mode I and Mode II delamination tests, and assessment of its suitability for modeling thick laminates. In Part II of this series we focus on the application of the proposed framework to modeling and simulation of damage in composite laminates resulting from impact. The proposed approach has significant accuracy and efficiency advantages over existing methods for modeling impact damage. These stem from the use of IGA-based Kirchhoff-Love shells to represent the individual plies of the composite laminate, while the compliant cohesive interfaces enable transverse shear deformation of the laminate. Kirchhoff-Love shells give a faithful representation of the ply deformation behavior, and, unlike solids or traditional shear-deformable shells, do not suffer from transverse-shear locking in the limit of vanishing thickness. This, in combination with higher-order accurate and smooth representation of the shell midsurface displacement field, allows us to adopt relatively coarse in-plane discretizations without sacrificing solution accuracy. Furthermore, the thin-shell formulation employed does not use rotational degrees of freedom, which gives additional efficiency benefits relative to more standard shell formulations.

A new multi-layer approach for progressive damage simulation in composite laminates based on isogeometric analysis and Kirchhoff-Love shells. Part I: basic theory and modeling of delamination and transverse shear

NASA Astrophysics Data System (ADS)

Bazilevs, Y.; Pigazzini, M. S.; Ellison, A.; Kim, H.

2017-11-01

In this two-part paper we introduce a new formulation for modeling progressive damage in laminated composite structures. We adopt a multi-layer modeling approach, based on Isogeometric Analysis (IGA), where each ply or lamina is represented by a spline surface, and modeled as a Kirchhoff-Love thin shell. Continuum Damage Mechanics is used to model intralaminar damage, and a new zero-thickness cohesive-interface formulation is introduced to model delamination as well as permitting laminate-level transverse shear compliance. In Part I of this series we focus on the presentation of the modeling framework, validation of the framework using standard Mode I and Mode II delamination tests, and assessment of its suitability for modeling thick laminates. In Part II of this series we focus on the application of the proposed framework to modeling and simulation of damage in composite laminates resulting from impact. The proposed approach has significant accuracy and efficiency advantages over existing methods for modeling impact damage. These stem from the use of IGA-based Kirchhoff-Love shells to represent the individual plies of the composite laminate, while the compliant cohesive interfaces enable transverse shear deformation of the laminate. Kirchhoff-Love shells give a faithful representation of the ply deformation behavior, and, unlike solids or traditional shear-deformable shells, do not suffer from transverse-shear locking in the limit of vanishing thickness. This, in combination with higher-order accurate and smooth representation of the shell midsurface displacement field, allows us to adopt relatively coarse in-plane discretizations without sacrificing solution accuracy. Furthermore, the thin-shell formulation employed does not use rotational degrees of freedom, which gives additional efficiency benefits relative to more standard shell formulations.

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.

Laser-induced transformation of supramolecular complexes: approach to controlled formation of hybrid multi-yolk-shell Au-Ag@a-C:H nanostructures

PubMed Central

Manshina, A. A.; Grachova, E. V.; Povolotskiy, A. V.; Povolotckaia, A. V.; Petrov, Y. V.; Koshevoy, I. O.; Makarova, A. A.; Vyalikh, D. V.; Tunik, S. P.

2015-01-01

In the present work an efficient approach of the controlled formation of hybrid Au–Ag–C nanostructures based on laser-induced transformation of organometallic supramolecular cluster compound is suggested. Herein the one-step process of the laser-induced synthesis of hybrid multi-yolk-shell Au-Ag@a-C:H nanoparticles which are bimetallic gold-silver subnanoclusters dispersed in nanospheres of amorphous hydrogenated a-C:H carbon is reported in details. It has been demonstrated that variation of the experimental parameters such as type of the organometallic precursor, solvent, deposition geometry and duration of laser irradiation allows directed control of nanoparticles’ dimension and morphology. The mechanism of Au-Ag@a-C:H nanoparticles formation is suggested: the photo-excitation of the precursor molecule through metal-to-ligand charge transfer followed by rupture of metallophilic bonds, transformation of the cluster core including red-ox intramolecular reaction and aggregation of heterometallic species that results in the hybrid metal/carbon nanoparticles with multi-yolk-shell architecture formation. It has been found that the nanoparticles obtained can be efficiently used for the Surface-Enhanced Raman Spectroscopy label-free detection of human serum albumin in low concentration solution. PMID:26153347

Chitosan from shrimp shells: A renewable sorbent applied to the clean-up step of the QuEChERS method in order to determine multi-residues of veterinary drugs in different types of milk.

PubMed

Arias, Jean Lucas de Oliveira; Schneider, Antunielle; Batista-Andrade, Jahir Antonio; Vieira, Augusto Alves; Caldas, Sergiane Souza; Primel, Ednei Gilberto

2018-02-01

Clean extracts are essential in LC-MS/MS, since the matrix effect can interfere in the analysis. Alternative materials which can be used as sorbents, such as chitosan in the clean-up step, are cheap and green options. In this study, chitosan from shrimp shell waste was evaluated as a sorbent in the QuEChERS method in order to determine multi-residues of veterinary drugs in different types of milk, i. e., fatty matrices. After optimization, the method showed correlation coefficients above 0.99, LOQs ranged between 1 and 50μgkg -1 and recoveries ranged between 62 and 125%, with RSD<20% for all veterinary drugs in all types of milk under study. The clean-up step which employed chitosan proved to be effective, since it reduced both the matrix effect (from values between -40 and -10% to values from -10 to +10%) and the extract turbidity (up to 95%). When the proposed method was applied to different milk samples, residues of albendazole (49μgkg -1 ), sulfamethazine (

MULTI-SHELL MAGNETIC TWISTERS AS A NEW MECHANISM FOR CORONAL HEATING AND SOLAR WIND ACCELERATION

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

Murawski, K.; Srivastava, A. K.; Dwivedi, B. N.

2015-07-20

We perform numerical simulations of impulsively generated Alfvén waves in an isolated photospheric flux tube and explore the propagation of these waves along such magnetic structure that extends from the photosphere, where these waves are triggered, to the solar corona, and we analyze resulting magnetic shells. Our model of the solar atmosphere is constructed by adopting the temperature distribution based on the semi-empirical model and specifying the curved magnetic field lines that constitute the magnetic flux tube that is rooted in the solar photosphere. The evolution of the solar atmosphere is described by 3D, ideal MHD equations that are numerically solvedmore » by the FLASH code. Our numerical simulations reveal, based on the physical properties of the multi-shell magnetic twisters and the amount of energy and momentum associated with them, that these multi-shell magnetic twisters may be responsible for the observed heating of the lower solar corona and for the formation of solar wind. Moreover, it is likely that the existence of these twisters can be verified by high-resolution observations.« less

Multi-parameter optimization of piezoelectric actuators for multi-mode active vibration control of cylindrical shells

NASA Astrophysics Data System (ADS)

Hu, K. M.; Li, Hua

2018-07-01

A novel technique for the multi-parameter optimization of distributed piezoelectric actuators is presented in this paper. The proposed method is designed to improve the performance of multi-mode vibration control in cylindrical shells. The optimization parameters of actuator patch configuration include position, size, and tilt angle. The modal control force of tilted orthotropic piezoelectric actuators is derived and the multi-parameter cylindrical shell optimization model is established. The linear quadratic energy index is employed as the optimization criterion. A geometric constraint is proposed to prevent overlap between tilted actuators, which is plugged into a genetic algorithm to search the optimal configuration parameters. A simply-supported closed cylindrical shell with two actuators serves as a case study. The vibration control efficiencies of various parameter sets are evaluated via frequency response and transient response simulations. The results show that the linear quadratic energy indexes of position and size optimization decreased by 14.0% compared to position optimization; those of position and tilt angle optimization decreased by 16.8%; and those of position, size, and tilt angle optimization decreased by 25.9%. It indicates that, adding configuration optimization parameters is an efficient approach to improving the vibration control performance of piezoelectric actuators on shells.

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

Optimal Frequency-Domain System Realization with Weighting

NASA Technical Reports Server (NTRS)

Juang, Jer-Nan; Maghami, Peiman G.

1999-01-01

Several approaches are presented to identify an experimental system model directly from frequency response data. The formulation uses a matrix-fraction description as the model structure. Frequency weighting such as exponential weighting is introduced to solve a weighted least-squares problem to obtain the coefficient matrices for the matrix-fraction description. A multi-variable state-space model can then be formed using the coefficient matrices of the matrix-fraction description. Three different approaches are introduced to fine-tune the model using nonlinear programming methods to minimize the desired cost function. The first method uses an eigenvalue assignment technique to reassign a subset of system poles to improve the identified model. The second method deals with the model in the real Schur or modal form, reassigns a subset of system poles, and adjusts the columns (rows) of the input (output) influence matrix using a nonlinear optimizer. The third method also optimizes a subset of poles, but the input and output influence matrices are refined at every optimization step through least-squares procedures.

Employing Simulation to Evaluate Designs: The APEX Approach

NASA Technical Reports Server (NTRS)

Freed, Michael A.; Shafto, Michael G.; Remington, Roger W.; Null, Cynthia H. (Technical Monitor)

1998-01-01

The key innovations of APEX are its integrated approaches to task analysis, procedure definition, and intelligent, resource-constrained multi-tasking. This paper presents a step-by-step description of how APEX is used, from scenario development through trace analysis.

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.

Multi-shelled ZnCo2O4 yolk-shell spheres for high-performance acetone gas sensor

NASA Astrophysics Data System (ADS)

Xiong, Ya; Zhu, Zongye; Ding, Degong; Lu, Wenbo; Xue, Qingzhong

2018-06-01

In the present study, multi-shelled ZnCo2O4 yolk-shell spheres have been successfully prepared by using carbonaceous microspheres as templates. It is found that the multi-shelled ZnCo2O4 yolk-shell spheres based sensor shows optimal sensing performances (response value of 38.2, response/recovery time of 19 s/71 s) toward 500 ppm acetone at 200 °C. In addition, this sensor exhibits a low detection limit of 0.5 ppm acetone (response value of 1.36) and a good selectivity toward hydrogen, methane, ethanol, ammonia and carbon dioxide. Furthermore, it is demonstrated that acetone gas response of multi-shelled ZnCo2O4 yolk-shell spheres is significantly better than that of ZnCo2O4 nanotubes and ZnCo2O4 nanosheets. High acetone response of the multi-shelled ZnCo2O4 yolk-shell spheres is attributed to the enhanced gas accessibility of the multi-shell morphology caused by the small crystalline size and high specific surface area while the short response/recovery time is mainly related to the rapid gas diffusion determined by the highly porous structure. Our work puts forward an exciting opportunity in designing various yolk-shelled structures for multipurpose applications.

Trace Uranium Partitioning in a Multiphase Nano-FeOOH System

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

McBriarty, Martin E.; Soltis, Jennifer A.; Kerisit, Sebastien

The characterization of trace elements in nanomaterials using extended X-ray absorption fine structure (EXAFS) spectroscopy constitutes a first step toward understanding how impurities or dopants affect the properties of the host phase. However, limitations to EXAFS interpretation complicate the analysis of trace concentrations of impurities that are distributed across multiple phases in a heterogeneous system. Ab initio molecular dynamics (AIMD)-informed EXAFS analysis was employed to investigate the immobilization of trace uranium associated with nanophase iron (oxyhydr)oxides, a model system for the geochemical sequestration of radiotoxic contaminants. The reductive transformation of ferrihydrite (Fe(OH)3) to nano-particulate iron oxyhydroxide minerals in the presencemore » of uranyl (UO2)2+(aq) resulted in the preferential incorporation of U into goethite (a-FeOOH) over lepidocrocite (g-FeOOH), even though reaction conditions favored the formation of excess lepidocrocite. This unexpected result is supported by atomically resolved transmission electron microscopy. Using this model system, we demonstrate how AIMD-informed EXAFS analysis lifts the strict statistical limitations of traditional shell-by-shell EXAFS modeling, enabling the detailed analysis of the local bonding environment, charge compensation mechanisms, and oxidation states of polyvalent impurities in complex multi-phase nano-systems.« less

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.

Multi-off-grid methods in multi-step integration of ordinary differential equations

NASA Technical Reports Server (NTRS)

Beaudet, P. R.

1974-01-01

Description of methods of solving first- and second-order systems of differential equations in which all derivatives are evaluated at off-grid locations in order to circumvent the Dahlquist stability limitation on the order of on-grid methods. The proposed multi-off-grid methods require off-grid state predictors for the evaluation of the n derivatives at each step. Progressing forward in time, the off-grid states are predicted using a linear combination of back on-grid state values and off-grid derivative evaluations. A comparison is made between the proposed multi-off-grid methods and the corresponding Adams and Cowell on-grid integration techniques in integrating systems of ordinary differential equations, showing a significant reduction in the error at larger step sizes in the case of the multi-off-grid integrator.

Thermal Analysis of Step 2 GPHS for Next Generation Radioisotope Power Source Missions

NASA Astrophysics Data System (ADS)

Pantano, David R.; Hill, Dennis H.

2005-02-01

The Step 2 General Purpose Heat Source (GPHS) is a slightly larger and more robust version of the heritage GPHS modules flown on previous Radioisotope Thermoelectric Generator (RTG) missions like Galileo, Ulysses, and Cassini. The Step 2 GPHS is to be used in future small radioisotope power sources, such as the Stirling Radioisotope Generator (SRG110) and the Multi-Mission Radioisotope Thermoelectric Generator (MMRTG). New features include an additional central web of Fine Weave Pierced Fabric (FWPF) graphite in the aeroshell between the two Graphite Impact Shells (GIS) to improve accidental reentry and impact survivability and an additional 0.1-inch of thickness to the aeroshell broad faces to improve ablation protection. This paper details the creation of the thermal model using Thermal Desktop and AutoCAD interfaces and provides comparisons of the model to results of previous thermal analysis models of the heritage GPHS. The results of the analysis show an anticipated decrease in total thermal gradient from the aeroshell to the iridium clads compared to the heritage results. In addition, the Step 2 thermal model is investigated under typical SRG110 boundary conditions, with cover gas and gravity environments included where applicable, to provide preliminary guidance for design of the generator. Results show that the temperatures of the components inside the GPHS remain within accepted design limits during all envisioned mission phases.

From Single-Cell Dynamics to Scaling Laws in Oncology

NASA Astrophysics Data System (ADS)

Chignola, Roberto; Sega, Michela; Stella, Sabrina; Vyshemirsky, Vladislav; Milotti, Edoardo

We are developing a biophysical model of tumor biology. We follow a strictly quantitative approach where each step of model development is validated by comparing simulation outputs with experimental data. While this strategy may slow down our advancements, at the same time it provides an invaluable reward: we can trust simulation outputs and use the model to explore territories of cancer biology where current experimental techniques fail. Here, we review our multi-scale biophysical modeling approach and show how a description of cancer at the cellular level has led us to general laws obeyed by both in vitro and in vivo tumors.

Multi-Scale Analyses of Three Dimensional Woven Composite 3D Shell With a Cut Out Circle

NASA Astrophysics Data System (ADS)

Nguyen, Duc Hai; Wang, Hu

2018-06-01

A composite material are made by combining two or more constituent materials to obtain the desired material properties of each product type. The matrix material which can be polymer and fiber is used as reinforcing material. Currently, the polymer matrix is widely used in many different fields with differently designed structures such as automotive structures and aviation, aerospace, marine, etc. because of their excellent mechanical properties; in addition, they possess the high level of hardness and durability together with a significant reduction in weight compared to traditional materials. However, during design process of structure, there will be many interruptions created for the purpose of assembling the structures together or for many other design purposes. Therefore, when this structure is subject to load-bearing, its failure occurs at these interruptions due to stress concentration. This paper proposes multi-scale modeling and optimization strategies in evaluation of the effectiveness of fiber orientation in an E-glass/Epoxy woven composite 3D shell with circular holes at the center investigated by FEA results. A multi-scale model approach was developed to predict the mechanical behavior of woven composite 3D shell with circular holes at the center with different designs of material and structural parameters. Based on the analysis result of laminae, we have found that the 3D shell with fiber direction of 450 shows the best stress and strain bearing capacity. Thus combining several layers of 450 fiber direction in a multi-layer composite 3D shell reduces the stresses concentrated on the cuts of the structures.

A Mixed Multi-Field Finite Element Formulation for Thermopiezoelectric Composite Shells

NASA Technical Reports Server (NTRS)

Lee, Ho-Jun; Saravanos, Dimitris A.

1999-01-01

Analytical formulations are presented which account for the coupled mechanical, electrical, and thermal response of piezoelectric composite shell structures. A new mixed multi-field laminate theory is developed which combines "single layer" assumptions for the displacements along with layerwise fields for the electric potential and temperature. This laminate theory is formulated using curvilinear coordinates and is based on the principles of linear thermopiezoelectricity. The mechanics have the inherent capability to explicitly model both the active and sensory responses of piezoelectric composite shells in thermal environment. Finite element equations are derived and implemented for an eight-noded shell element. Numerical studies are conducted to investigate both the sensory and active responses of piezoelectric composite shell structures subjected to thermal loads. Results for a cantilevered plate with an attached piezoelectric layer are com- pared with corresponding results from a commercial finite element code and a previously developed program. Additional studies are conducted on a cylindrical shell with an attached piezoelectric layer to demonstrate capabilities to achieve thermal shape control on curved piezoelectric structures.

Systematics of g factors of 2{sub 1}{sup +} states in even-even nuclei from Gd to Pt: A microscopic description by the projected shell model

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

Bian, Bao-An; Institute of Low Energy Nuclear Physics, Beijing Normal University, Beijing 100875; Di, Yao-Min

2007-01-15

The systematics of g factor of the first excited 2{sup +} state vs neutron number N is studied by the projected shell model. The study covers the even-even nuclei of all isotopic chains from Gd to Pt. g factors are calculated by using the many-body wave functions that well reproduce the energy levels and B(E2)s of the ground-state bands. For Gd to W isotopes the characteristic feature of the g factor data along an isotopic chain is described by the present model. Deficiency of the model in the g factor description for the heavier Os and Pt isotopes is discussed.

Quantitative Analysis of Human Cancer Cell Extravasation Using Intravital Imaging.

PubMed

Willetts, Lian; Bond, David; Stoletov, Konstantin; Lewis, John D

2016-01-01

Metastasis, or the spread of cancer cells from a primary tumor to distant sites, is the leading cause of cancer-associated death. Metastasis is a complex multi-step process comprised of invasion, intravasation, survival in circulation, extravasation, and formation of metastatic colonies. Currently, in vitro assays are limited in their ability to investigate these intricate processes and do not faithfully reflect metastasis as it occurs in vivo. Traditional in vivo models of metastasis are limited by their ability to visualize the seemingly sporadic behavior of where and when cancer cells spread (Reymond et al., Nat Rev Cancer 13:858-870, 2013). The avian embryo model of metastasis is a powerful platform to study many of the critical steps in the metastatic cascade including the migration, extravasation, and invasion of human cancer cells in vivo (Sung et al., Nat Commun 6:7164, 2015; Leong et al., Cell Rep 8, 1558-1570, 2014; Kain et al., Dev Dyn 243:216-28, 2014; Leong et al., Nat Protoc 5:1406-17, 2010; Zijlstra et al., Cancer Cell 13:221-234, 2008; Palmer et al., J Vis Exp 51:2815, 2011). The chicken chorioallantoic membrane (CAM) is a readily accessible and well-vascularized tissue that surrounds the developing embryo. When the chicken embryo is grown in a shell-less, ex ovo environment, the nearly transparent CAM provides an ideal environment for high-resolution fluorescent microcopy approaches. In this model, the embryonic chicken vasculature and labeled cancer cells can be visualized simultaneously to investigate specific steps in the metastatic cascade including extravasation. When combined with the proper image analysis tools, the ex ovo chicken embryo model offers a cost-effective and high-throughput platform for the quantitative analysis of tumor cell metastasis in a physiologically relevant in vivo setting. Here we discuss detailed procedures to quantify cancer cell extravasation in the shell-less chicken embryo model with advanced fluorescence microscopy techniques.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Converting Multi-Shell and Diffusion Spectrum Imaging to High Angular Resolution Diffusion Imaging

PubMed Central

Yeh, Fang-Cheng; Verstynen, Timothy D.

2016-01-01

Multi-shell and diffusion spectrum imaging (DSI) are becoming increasingly popular methods of acquiring diffusion MRI data in a research context. However, single-shell acquisitions, such as diffusion tensor imaging (DTI) and high angular resolution diffusion imaging (HARDI), still remain the most common acquisition schemes in practice. Here we tested whether multi-shell and DSI data have conversion flexibility to be interpolated into corresponding HARDI data. We acquired multi-shell and DSI data on both a phantom and in vivo human tissue and converted them to HARDI. The correlation and difference between their diffusion signals, anisotropy values, diffusivity measurements, fiber orientations, connectivity matrices, and network measures were examined. Our analysis result showed that the diffusion signals, anisotropy, diffusivity, and connectivity matrix of the HARDI converted from multi-shell and DSI were highly correlated with those of the HARDI acquired on the MR scanner, with correlation coefficients around 0.8~0.9. The average angular error between converted and original HARDI was 20.7° at voxels with signal-to-noise ratios greater than 5. The network topology measures had less than 2% difference, whereas the average nodal measures had a percentage difference around 4~7%. In general, multi-shell and DSI acquisitions can be converted to their corresponding single-shell HARDI with high fidelity. This supports multi-shell and DSI acquisitions over HARDI acquisition as the scheme of choice for diffusion acquisitions. PMID:27683539

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

Effects of cluster-shell competition and BCS-like pairing in 12C

NASA Astrophysics Data System (ADS)

Matsuno, H.; Itagaki, N.

2017-12-01

The antisymmetrized quasi-cluster model (AQCM) was proposed to describe α-cluster and jj-coupling shell models on the same footing. In this model, the cluster-shell transition is characterized by two parameters, R representing the distance between α clusters and Λ describing the breaking of α clusters, and the contribution of the spin-orbit interaction, very important in the jj-coupling shell model, can be taken into account starting with the α-cluster model wave function. Not only the closure configurations of the major shells but also the subclosure configurations of the jj-coupling shell model can be described starting with the α-cluster model wave functions; however, the particle-hole excitations of single particles have not been fully established yet. In this study we show that the framework of AQCM can be extended even to the states with the character of single-particle excitations. For ^{12}C, two-particle-two-hole (2p2h) excitations from the subclosure configuration of 0p_{3/2} corresponding to a BCS-like pairing are described, and these shell model states are coupled with the three α-cluster model wave functions. The correlation energy from the optimal configuration can be estimated not only in the cluster part but also in the shell model part. We try to pave the way to establish a generalized description of the nuclear structure.

Coulomb matrix elements in multi-orbital Hubbard models.

PubMed

Bünemann, Jörg; Gebhard, Florian

2017-04-26

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

Multi-Cone Model for Estimating GPS Ionospheric Delays

NASA Technical Reports Server (NTRS)

Sparks, Lawrence; Komjathy, Attila; Mannucci, Anthony

2009-01-01

The multi-cone model is a computational model for estimating ionospheric delays of Global Positioning System (GPS) signals. It is a direct descendant of the conical-domain model. A primary motivation for the development of this model is the need to find alternatives for modeling slant delays at low latitudes, where ionospheric behavior poses an acute challenge for GPS signal-delay estimates based upon the thin-shell model of the ionosphere.

Nonpolar InGaN/GaN Core-Shell Single Nanowire Lasers.

PubMed

Li, Changyi; Wright, Jeremy B; Liu, Sheng; Lu, Ping; Figiel, Jeffrey J; Leung, Benjamin; Chow, Weng W; Brener, Igal; Koleske, Daniel D; Luk, Ting-Shan; Feezell, Daniel F; Brueck, S R J; Wang, George T

2017-02-08

We report lasing from nonpolar p-i-n InGaN/GaN multi-quantum well core-shell single-nanowire lasers by optical pumping at room temperature. The nanowire lasers were fabricated using a hybrid approach consisting of a top-down two-step etch process followed by a bottom-up regrowth process, enabling precise geometrical control and high material gain and optical confinement. The modal gain spectra and the gain curves of the core-shell nanowire lasers were measured using micro-photoluminescence and analyzed using the Hakki-Paoli method. Significantly lower lasing thresholds due to high optical gain were measured compared to previously reported semipolar InGaN/GaN core-shell nanowires, despite significantly shorter cavity lengths and reduced active region volume. Mode simulations show that due to the core-shell architecture, annular-shaped modes have higher optical confinement than solid transverse modes. The results show the viability of this p-i-n nonpolar core-shell nanowire architecture, previously investigated for next-generation light-emitting diodes, as low-threshold, coherent UV-visible nanoscale light emitters, and open a route toward monolithic, integrable, electrically injected single-nanowire lasers operating at room temperature.

Nonpolar InGaN/GaN core–shell single nanowire lasers

DOE PAGES

Li, Changyi; Wright, Jeremy Benjamin; Liu, Sheng; ...

2017-01-24

We report lasing from nonpolar p-i-n InGaN/GaN multi-quantum well core–shell single-nanowire lasers by optical pumping at room temperature. The nanowire lasers were fabricated using a hybrid approach consisting of a top-down two-step etch process followed by a bottom-up regrowth process, enabling precise geometrical control and high material gain and optical confinement. The modal gain spectra and the gain curves of the core–shell nanowire lasers were measured using micro-photoluminescence and analyzed using the Hakki-Paoli method. Significantly lower lasing thresholds due to high optical gain were measured compared to previously reported semipolar InGaN/GaN core–shell nanowires, despite significantly shorter cavity lengths and reducedmore » active region volume. Mode simulations show that due to the core–shell architecture, annular-shaped modes have higher optical confinement than solid transverse modes. Furthermore, the results show the viability of this p-i-n nonpolar core–shell nanowire architecture, previously investigated for next-generation light-emitting diodes, as low-threshold, coherent UV–visible nanoscale light emitters, and open a route toward monolithic, integrable, electrically injected single-nanowire lasers operating at room temperature.« less

Facile synthesis of nanorod-assembled multi-shelled Co3O4 hollow microspheres for high-performance supercapacitors

NASA Astrophysics Data System (ADS)

Wang, Yaping; Pan, Anqiang; Zhu, Qinyu; Nie, Zhiwei; Zhang, Yifang; Tang, Yan; Liang, Shuquan; Cao, Guozhong

2014-12-01

In this work, we report a novel strategy for the controlled synthesis of nanorod assembled multi-shelled cobalt oxide (Co3O4) hollow microspheres (HSs). The Co2CO3(OH)2 NRs are first vertically grown on the carbon microspheres (CS) to form the core-shelled composites by a low-temperature solution route. The multi-shelled hollow interiors within the Co3O4 microspheres are unconventionally obtained by annealing the as-prepared core-shell structured CS@Co2CO3(OH)2 composite in air. When evaluated for supercapacitive performance, the multi-shelled Co3O4 hollow microspheres exhibit high capacitance of 394.4 and 360 F g-1 at the current densities of 2 A g-1 and 10 A g-1, respectively. The superior electrochemical performance can be attributed to the multi-shelled hollow structures, which facilitate the electrolyte penetration and provide more active sites for the electrochemical reactions.

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

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 .

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

Measurement of L-shell transitions in M-shell ions in the laboratory and identification in stellar coronae

DOE PAGES

Lepson, J. K.; Beiersdorfer, P.; Hell, N.; ...

2017-04-04

Based on laboratory data from the Lawrence Livermore EBIT-I electron beam ion trap and calculations using the relativistic multi-reference Møller-Plesset (MRMP) perturbation theory approach, we identify L-shell transitions of M-shell iron ions in emission spectra of the nearby stars Capella and Procyon. In conclusion, these lines are weaker than the well known, prominent lines from Fe XVII. However, they need to be taken into account when modeling the spectra, especially of cool stars.

Optical pattern recognition algorithms on neural-logic equivalent models and demonstration of their prospects and possible implementations

NASA Astrophysics Data System (ADS)

Krasilenko, Vladimir G.; Nikolsky, Alexander I.; Zaitsev, Alexandr V.; Voloshin, Victor M.

2001-03-01

Historic information regarding the appearance and creation of fundamentals of algebra-logical apparatus-`equivalental algebra' for description of neuro-nets paradigms and algorithms is considered which is unification of theory of neuron nets (NN), linear algebra and the most generalized neuro-biology extended for matrix case. A survey is given of `equivalental models' of neuron nets and associative memory is suggested new, modified matrix-tenzor neurological equivalental models (MTNLEMS) are offered with double adaptive-equivalental weighing (DAEW) for spatial-non- invariant recognition (SNIR) and space-invariant recognition (SIR) of 2D images (patterns). It is shown, that MTNLEMS DAEW are the most generalized, they can describe the processes in NN both within the frames of known paradigms and within new `equivalental' paradigm of non-interaction type, and the computing process in NN under using the offered MTNLEMs DAEW is reduced to two-step and multi-step algorithms and step-by-step matrix-tenzor procedures (for SNIR) and procedures of defining of space-dependent equivalental functions from two images (for SIR).

van der Waals three-body force shell model (VTSM) for the lattice dynamical studies of thallous bromide

NASA Astrophysics Data System (ADS)

Tiwari, Sarvesh K.; Pandey, L. K.; Shukla, Lal Ji; Upadhyaya, K. S.

2009-12-01

The van der Waals three-body force shell model (VTSM) has been developed by modifying the three-body force shell model (TSM) for the lattice dynamics of ionic crystals with cesium chloride (CsCl) structure. This new model incorporates van der Waals interactions along with long-range Coulomb interactions, three-body interactions and short-range second neighbour interactions in the framework of a rigid shell model (RSM). In the present paper, VTSM has been used to study the lattice dynamics of thallous bromide (TlBr), from which adequacy of VTSM has been established. A comparative study of the dynamical behaviour of TlBr has also been done between the present model and TSM, the model over which modification has been made to obtain the present model VTSM. Good agreement has been observed between the theoretical and experimental results, which give confidence that it is an appropriate model for the complete description of ionic crystals with CsCl structure.

Optical properties of core-shell and multi-shell nanorods

NASA Astrophysics Data System (ADS)

Mokkath, Junais Habeeb; Shehata, Nader

2018-05-01

We report a first-principles time dependent density functional theory study of the optical response modulations in bimetallic core-shell (Na@Al and Al@Na) and multi-shell (Al@Na@Al@Na and Na@Al@Na@Al: concentric shells of Al and Na alternate) nanorods. All of the core-shell and multi-shell configurations display highly enhanced absorption intensity with respect to the pure Al and Na nanorods, showing sensitivity to both composition and chemical ordering. Remarkably large spectral intensity enhancements were found in a couple of core-shell configurations, indicative that optical response averaging based on the individual components can not be considered as true as always in the case of bimetallic core-shell nanorods. We believe that our theoretical results would be useful in promising applications depending on Aluminum-based plasmonic materials such as solar cells and sensors.

Core/shell, protuberance-free multiwalled carbon nanotube/polyaniline nanocomposites via interfacial chemistry of aryl diazonium salts.

PubMed

Mekki, Ahmed; Samanta, Soumen; Singh, Ajay; Salmi, Zakaria; Mahmoud, Rachid; Chehimi, Mohamed M; Aswal, Dinesh K

2014-03-15

Highly uniform core-shell like multi-walled carbon nanotubes-polyaniline (MWCNT-PANI) nanocomposites were prepared in two steps (i) surface modification of MWCNTs with a 4-aminodiphenylamine group via in situ diazonium generation process; and (ii) polymerization of aniline onto surface modified MWCNTs. This functionalization helped to easily disperse the MWCNTs in acidic solutions; hence it is suitable for the chemical oxidative polymerization of aniline. It was found that MWCNT-PANI nano-composites with higher MWCNTs loading yield PANI chains with more quinoid units than the pure PANI, which results in significant improvement in the conductivity of the composites. This facile approach of synthesizing core-shell nanocomposites highlights the efficiency of the interfacial chemistry of aryl diazonium salts in generating conductive polymer/MWCNT nanocomposites with enhanced conductivity and high surface area. Copyright © 2013 Elsevier Inc. All rights reserved.

Quantal diffusion description of multinucleon transfers in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Ayik, S.; Yilmaz, B.; Yilmaz, O.; Umar, A. S.

2018-05-01

Employing the stochastic mean-field (SMF) approach, we develop a quantal diffusion description of the multi-nucleon transfer in heavy-ion collisions at finite impact parameters. The quantal transport coefficients are determined by the occupied single-particle wave functions of the time-dependent Hartree-Fock equations. As a result, the primary fragment mass and charge distribution functions are determined entirely in terms of the mean-field properties. This powerful description does not involve any adjustable parameter, includes the effects of shell structure, and is consistent with the fluctuation-dissipation theorem of the nonequilibrium statistical mechanics. As a first application of the approach, we analyze the fragment mass distribution in 48Ca+ 238U collisions at the center-of-mass energy Ec.m.=193 MeV and compare the calculations with the experimental data.

Phenomenological study of nuclear structure of neutron-rich 88Rb isotope

NASA Astrophysics Data System (ADS)

Gupta, Surbhi; Gupta, Anuradha; Bharti, Arun

2018-05-01

A theoretical study of the nuclear structure of odd-odd 88Rb nucleus in the A ˜100 mass region is carried out by using the angular-momentum-projection technique implemented in the Projected Shell Model (PSM). The influence of the high-j orbitals, h11/2 for neutrons and g9/2 for protons on the structure of 88Rb isotope is investigated in the present case by assuming an axial symmetry in the deformed basis. For this isotope, PSM calculations are performed to obtain the yrast line and also the description of the formation of the yrast level structure from multi-quasi-particle configurations. The back-bending in moment of inertia and transition energies have also been calculated and compared with the experimental data.

Biothermal Model of Patient for Brain Hypothermia Treatment

NASA Astrophysics Data System (ADS)

Wakamatsu, Hidetoshi; Gaohua, Lu

A biothermal model of patient is proposed and verified for the brain hypothermia treatment, since the conventionally applied biothermal models are inappropriate for their unprecedented application. The model is constructed on the basis of the clinical practice of the pertinent therapy and characterized by the mathematical relation with variable ambient temperatures, in consideration of the clinical treatments such as the vital cardiopulmonary regulation. It has geometrically clear representation of multi-segmental core-shell structure, database of physiological and physical parameters with a systemic state equation setting the initial temperature of each compartment. Its step response gives the time constant about 3 hours in agreement with clinical knowledge. As for the essential property of the model, the dynamic temperature of its face-core compartment is realized, which corresponds to the tympanic membrane temperature measured under the practical anesthesia. From the various simulations consistent with the phenomena of clinical practice, it is concluded that the proposed model is appropriate for the theoretical analysis and clinical application to the brain hypothermia treatment.

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.

Deep anistropic shell program for tire analysis

NASA Technical Reports Server (NTRS)

Andersen, C. M.

1981-01-01

A finite element program was constructed to model the mechanical response of a tire, treated as a deep anisotropic shell, to specified static loads. The program is based on a Sanders Budiansky type shell theory with the effects of transverse shear deformation and bending-extensional coupling included. A displacement formulation is used together with a total Lagrangian description of the deformation. Sixteen-node quadrilateral elements with bicubic shape functions are employed. The Noor basis reduction technique and various type of symmetry considerations serve to improve the computational efficiency.

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.

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.

Soft-Bake Purification of SWCNTs Produced by Pulsed Laser Vaporization

NASA Technical Reports Server (NTRS)

Yowell, Leonard; Nikolaev, Pavel; Gorelik, Olga; Allada, Rama Kumar; Sosa, Edward; Arepalli, Sivaram

2013-01-01

The "soft-bake" method is a simple and reliable initial purification step first proposed by researchers at Rice University for single-walled carbon nanotubes (SWCNT) produced by high-pressure carbon mon oxide disproportionation (HiPco). Soft-baking consists of annealing as-produced (raw) SWCNT, at low temperatures in humid air, in order to degrade the heavy graphitic shells that surround metal particle impurities. Once these shells are cracked open by the expansion and slow oxidation of the metal particles, the metal impurities can be digested through treatment with hydrochloric acid. The soft-baking of SWCNT produced by pulsed-laser vaporization (PLV) is not straightforward, because the larger average SWCNT diameters (.1.4 nm) and heavier graphitic shells surrounding metal particles call for increased temperatures during soft-bake. A part of the technology development focused on optimizing the temperature so that effective cracking of the graphitic shells is balanced with maintaining a reasonable yield, which was a critical aspect of this study. Once the ideal temperature was determined, a number of samples of raw SWCNT were purified using the soft-bake method. An important benefit to this process is the reduced time and effort required for soft-bake versus the standard purification route for SWCNT. The total time spent purifying samples by soft-bake is one week per batch, which equates to a factor of three reduction in the time required for purification as compared to the standard acid purification method. Reduction of the number of steps also appears to be an important factor in improving reproducibility of yield and purity of SWCNT, as small deviations are likely to get amplified over the course of a complicated multi-step purification process.

Adsorption of methylene blue onto activated carbon produced from tea (Camellia sinensis L.) seed shells: kinetics, equilibrium, and thermodynamics studies.

PubMed

Gao, Jun-Jie; Qin, Ye-Bo; Zhou, Tao; Cao, Dong-Dong; Xu, Ping; Hochstetter, Danielle; Wang, Yue-Fei

2013-07-01

Tea (Camellia sinensis L.) seed shells, the main byproduct of the manufacture of tea seed oil, were used as precursors for the preparation of tea activated carbon (TAC) in the present study. A high yield (44.1%) of TAC was obtained from tea seed shells via a one-step chemical method using ZnCl2 as an agent. The Brunauer-Emmett-Teller (BET) surface area and the total pore volumes of the obtained TAC were found to be 1530.67 mg(2)/g and 0.7826 cm(3)/g, respectively. The equilibrium adsorption results were complied with Langmuir isotherm model and its maximum monolayer adsorption capacity was 324.7 mg/g for methylene blue. Adsorption kinetics studies indicated that the pseudo-second-order model yielded the best fit for the kinetic data. An intraparticle diffusion model suggested that the intraparticle diffusion was not the only rate-controlling step. Thermodynamics studies revealed the spontaneous and exothermic nature of the sorption process. These results indicate that tea seed shells could be utilized as a renewable resource to develop activated carbon which is a potential adsorbent for methylene blue.

Adsorption of methylene blue onto activated carbon produced from tea (Camellia sinensis L.) seed shells: kinetics, equilibrium, and thermodynamics studies*

PubMed Central

Gao, Jun-jie; Qin, Ye-bo; Zhou, Tao; Cao, Dong-dong; Xu, Ping; Hochstetter, Danielle; Wang, Yue-fei

2013-01-01

Tea (Camellia sinensis L.) seed shells, the main byproduct of the manufacture of tea seed oil, were used as precursors for the preparation of tea activated carbon (TAC) in the present study. A high yield (44.1%) of TAC was obtained from tea seed shells via a one-step chemical method using ZnCl2 as an agent. The Brunauer-Emmett-Teller (BET) surface area and the total pore volumes of the obtained TAC were found to be 1 530.67 mg2/g and 0.782 6 cm3/g, respectively. The equilibrium adsorption results were complied with Langmuir isotherm model and its maximum monolayer adsorption capacity was 324.7 mg/g for methylene blue. Adsorption kinetics studies indicated that the pseudo-second-order model yielded the best fit for the kinetic data. An intraparticle diffusion model suggested that the intraparticle diffusion was not the only rate-controlling step. Thermodynamics studies revealed the spontaneous and exothermic nature of the sorption process. These results indicate that tea seed shells could be utilized as a renewable resource to develop activated carbon which is a potential adsorbent for methylene blue. PMID:23825151

Shell models of magnetohydrodynamic turbulence

NASA Astrophysics Data System (ADS)

Plunian, Franck; Stepanov, Rodion; Frick, Peter

2013-02-01

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

Multi-parameter actuation of a neutrally stable shell: a flexible gear-less motor.

PubMed

Hamouche, W; Maurini, C; Vidoli, S; Vincenti, A

2017-08-01

We have designed and tested experimentally a morphing structure consisting of a neutrally stable thin cylindrical shell driven by a multi-parameter piezoelectric actuation. The shell is obtained by plastically deforming an initially flat copper disc, so as to induce large isotropic and almost uniform inelastic curvatures. Following the plastic deformation, in a perfectly isotropic system, the shell is theoretically neutrally stable, having a continuous set of stable cylindrical shapes corresponding to the rotation of the axis of maximal curvature. Small imperfections render the actual structure bistable, giving preferred orientations. A three-parameter piezoelectric actuation, exerted through micro-fibre-composite actuators, allows us to add a small perturbation to the plastic inelastic curvature and to control the direction of maximal curvature. This actuation law is designed through a geometrical analogy based on a fully nonlinear inextensible uniform-curvature shell model. We report on the fabrication, identification and experimental testing of a prototype and demonstrate the effectiveness of the piezoelectric actuators in controlling its shape. The resulting motion is an apparent rotation of the shell, controlled by the voltages as in a 'gear-less motor', which is, in reality, a precession of the axis of principal curvature.

Multi-parameter actuation of a neutrally stable shell: a flexible gear-less motor

NASA Astrophysics Data System (ADS)

Hamouche, W.; Maurini, C.; Vidoli, S.; Vincenti, A.

2017-08-01

We have designed and tested experimentally a morphing structure consisting of a neutrally stable thin cylindrical shell driven by a multi-parameter piezoelectric actuation. The shell is obtained by plastically deforming an initially flat copper disc, so as to induce large isotropic and almost uniform inelastic curvatures. Following the plastic deformation, in a perfectly isotropic system, the shell is theoretically neutrally stable, having a continuous set of stable cylindrical shapes corresponding to the rotation of the axis of maximal curvature. Small imperfections render the actual structure bistable, giving preferred orientations. A three-parameter piezoelectric actuation, exerted through micro-fibre-composite actuators, allows us to add a small perturbation to the plastic inelastic curvature and to control the direction of maximal curvature. This actuation law is designed through a geometrical analogy based on a fully nonlinear inextensible uniform-curvature shell model. We report on the fabrication, identification and experimental testing of a prototype and demonstrate the effectiveness of the piezoelectric actuators in controlling its shape. The resulting motion is an apparent rotation of the shell, controlled by the voltages as in a `gear-less motor', which is, in reality, a precession of the axis of principal curvature.

Structural Acoustic Physics Based Modeling of Curved Composite Shells

DTIC Science & Technology

2017-09-19

Results show that the finite element computational models accurately match analytical calculations, and that the composite material studied in this...products. 15. SUBJECT TERMS Finite Element Analysis, Structural Acoustics, Fiber-Reinforced Composites, Physics-Based Modeling 16. SECURITY...2 4 FINITE ELEMENT MODEL DESCRIPTION

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.

Facile synthesis of multi-shell structured binary metal oxide powders with a Ni/Co mole ratio of 1:2 for Li-Ion batteries

NASA Astrophysics Data System (ADS)

Choi, Seung Ho; Park, Sun Kyu; Lee, Jung-Kul; Kang, Yun Chan

2015-06-01

Multi-shell structured binary transition metal oxide powders with a Ni/Co mole ratio of 1:2 are prepared by a simple spray drying process. Precursor powder particles prepared by spray drying from a spray solution of citric acid and ethylene glycol have completely spherical shape, fine size, and a narrow size distribution. The precursor powders turn into multi-shell powders after a post heat-treatment at temperatures between 250 and 800 °C. The multi-shell structured powders are formed by repeated combustion and contraction processes. The multi-shell powders have mixed crystal structures of Ni1-xCo2O4-x and NiO phases regardless of the post-treatment temperature. The reversible capacities of the powders post-treated at 250, 400, 600, and 800 °C after 100 cycles are 584, 913, 808, and 481 mA h g-1, respectively. The low charge transfer resistance and high lithium ion diffusion rate of the multi-shell powders post-treated at 400 °C with optimum grain size result in superior electrochemical properties even at high current densities.

X-ray Thomson scattering measurements of temperature and density from multi-shocked CH capsules

DOE PAGES

Fletcher, L. B.; Glenzer, S. H.; Kritcher, A.; ...

2013-05-24

Proof-of-principle measurements of the electron densities, temperatures, and ionization states of spherically compressed multi-shocked CH (polystyrene) capsules have been achieved using spectrally resolved x-ray Thomson scattering. A total energy of 13.5 kJ incident on target is used to compress a 70 μm thick CH shell above solid-mass density using three coalescing shocks. Separately, a laser-produced zinc He-α x-ray source at 9 keV delayed 200 ps-800 ps after maximum compression is used to probe the plasma in the non-collective scattering regime. The data show that x-ray Thomson scattering enables a complete description of the time-dependent hydrodynamic evolution of shock-compressed CH capsules,more » with a maximum measured density of ρ > 6 g cm –3. Additionally, the results demonstrate that accurate measurements of x-ray scattering from bound-free transitions in the CH plasma demonstrate strong evidence that continuum lowering is the primary ionization mechanism of carbon L-shell electrons.« less

A Methodology for Confirmatory Testing of Numerical Models of Groundwater Flow and Solute Transport in Fractured Crystalline Rock

NASA Astrophysics Data System (ADS)

Hartley, L.; Follin, S.; Rhen, I.; Selroos, J.

2008-12-01

Three-dimensional, regional, numerical models of groundwater flow and solute transport in fractured crystalline rock are used for two sites in Sweden that are considered for geological disposal of spent nuclear fuel. The models are used to underpin the conceptual modeling that is based on multi-disciplinary data and include descriptions of the geometry of geological features (deformation zones and fracture networks), transient hydrological and chemical boundary conditions, strong spatial heterogeneity in the hydraulic properties, density driven flow, solute transport including rock matrix diffusion, and mixing of different water types in a palaeo-hydrogeological perspective (last 10,000 years). From a credibility point of view, comparisons between measured and simulated data are important and provide a means to address our ability to understand complex hydrogeological systems, and hence what particular applications of a hydrogeological model of a physical system that are justified, e.g. in subsequent repository performance assessment studies. For instance, it has been suggested that an understanding of the hydrochemical evolution throughout geological time is a powerful tool to predict the future evolution of groundwater flow and its chemical composition. The general approach applied in the numerical modeling was to first parameterize the deformation zones and fracture networks hydraulically using fracture and inflow data from single-hole tests. Second, the confirmatory step relies on using essentially the same groundwater flow and solute transport model in terms of grid discretization and parameter settings for matching three types of independent field data: 1) large-scale cross-hole (interference) tests, 2) long-term monitoring of groundwater levels, and 3) hydrochemical composition of fracture water and matrix pore water in deep boreholes. We demonstrate here the modelling approach of the second step - confirmatory testing - using data from the site investigations undertaken at one of the sites in Sweden (Forsmark). Using the three types of data, a unified conceptual description of the groundwater system has been obtained. The integration of multi-disciplinary data and models in the confirmatory testing has provided a means to increase the level of confidence in the final site descriptive model. Specifically, discipline-specific data and models from hydrogeology (transmissivities, groundwater levels, hydraulic gradients), geology (genesis of structures, geometries), rock mechanics (principal stresses), hydrogeochemistry (fracture water and matrix pore water composition) and bedrock transport properties (flow wetted surface, advective residence time) have been utilized in the description of the groundwater system in the bedrock.

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

Growth rates and geochemical proxies in Late Campanian bivalves - New insights from micro-X-ray Fluorescence mapping and numerical growth modelling

NASA Astrophysics Data System (ADS)

de Winter, Niels; Goderis, Steven; van Malderen, Stijn; Vanhaecke, Frank; Claeys, Philippe

2017-04-01

Understanding the Late Cretaceous greenhouse climate is of vital importance for understanding present and future climate change. While a lot of good work has been done to reconstruct climate in this interesting period, most paleoclimatic studies have focused on long-term climate change[1]. Alternatively, multi-proxy records from marine bivalves provide us with a unique opportunity to study past climate on a seasonal scale. However, previous fossil bivalve studies have reported ambiguous results with regard to the interpretation of trace element and stable isotope proxies in marine bivalve shells[2]. One major problem in the interpretation of such records is the bivalve's vital effect and the occurrence of disequilibrium fractionation during bivalve growth. Both these problems are linked to the annual growth cycle of marine bivalves, which introduces internal effects on the incorporation of isotopes and trace elements into the shell[3]. Understanding this growth cycle in extinct bivalves is therefore of great importance for the interpretation of seasonal proxy records in their shells. In this study, three different species of extinct Late Campanian bivalves (two rudist species and one oyster species) that were found in the same stratigraphic interval are studied. Micro-X-Ray Fluorescence line scanning and mapping of trace elements such as Mg, Sr, S and Zn, calibrated by LA-ICP-MS measurements, is combined with microdrilled stable carbon and oxygen isotope analysis on the well-preserved part of the shells. Data of this multi-proxy study is compared with results from a numerical growth model written in the open-source statistics package R[4] and based on annual growth increments observed in the shells and shell thickness. This growth model is used together with proxy data to reconstruct rates of trace element incorporation into the shell and to calculate the mass balance of stable oxygen and carbon isotopes. In order to achieve this goal, 2D mapping of bivalve shell surfaces is combined with high-precision point measurements and linescans to characterize different carbonate facies within the shell and to model changes in proxy data in three dimensions. Comparison of sub-annual variations in growth rate and shell geometry with proxy data sheds light on the degree to which observed seasonal variations in geochemical proxies are dependent on internal mechanisms of shell growth as opposed to external mechanisms such as climatic and environmental change. The use of three different species of bivalve from the same paleoenvironment allows the examination of species-specific responses to environmental change. This study attempts to determine which proxies in which species of bivalve are suitable for paleoenvironmental reconstruction and will aid future paleoseasonality studies in interpreting seasonally resolved multi-proxy records. References 1 DeConto R.M., et al. Cambridge University Press; 2000. 2 Elliot M, et al., PPP 2009. 3 Steuber T. Geology. 1996. 4 R core team, 2004, www.R-project.org

Multi-monochromatic imaging of defect-induced mix experiments at OMEGA

NASA Astrophysics Data System (ADS)

Mancini, Roberto; Johns, Heather; Joshi, Tirtha; Mayes, Daniel; Durmaz, Tunay; Nagayama, Taisuke; Hsu, Scott; Tregillis, Ian; Krasheninnikova, Natalia; Cobble, James; Murphy, Thomas; Shah, Rahul; Kyrala, George; Hakel, Peter; Bradley, Paul; Schmitt, Mark

2012-10-01

In a series of polar-drive implosions performed at OMEGA for the defect-induced mix experiment (DIME) campaign of Los Alamos National Laboratory, two identical multi-monochromatic imager (MMI) instruments were fielded to record gated, x-ray spectrally-resolved images of D-filled Ti-doped plastic shells. The shells included a defect on the equatorial plane to study defect-induced mix while no-defect shells were employed in reference shots. The MMI data recorded simultaneously along quasi-orthogonal lines-of-sight afforded unique observations of the implosion based on the K-shell spectral signatures of the Ti tracer. Several analysis techniques have been used to process the MMI data (T. Nagayama et al, J. App. Phys. 109, 093303 (2011)) in order to study defect-induced mixing by tracking the spatial distribution and state of the tracer. Comparisons were made with results from post-processed 2D and 3D simulations to provide further insight into the interpretation of the experimental results and to constrain the simulation physics model.

The fractal dimension of cell membrane correlates with its capacitance: A new fractal single-shell model

PubMed Central

Wang, Xujing; Becker, Frederick F.; Gascoyne, Peter R. C.

2010-01-01

The scale-invariant property of the cytoplasmic membrane of biological cells is examined by applying the Minkowski–Bouligand method to digitized scanning electron microscopy images of the cell surface. The membrane is found to exhibit fractal behavior, and the derived fractal dimension gives a good description of its morphological complexity. Furthermore, we found that this fractal dimension correlates well with the specific membrane dielectric capacitance derived from the electrorotation measurements. Based on these findings, we propose a new fractal single-shell model to describe the dielectrics of mammalian cells, and compare it with the conventional single-shell model (SSM). We found that while both models fit with experimental data well, the new model is able to eliminate the discrepancy between the measured dielectric property of cells and that predicted by the SSM. PMID:21198103

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.

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.

Hierarchical inorganic-organic multi-shell nanospheres for intervention and treatment of lead-contaminated blood

NASA Astrophysics Data System (ADS)

Khairy, Mohamed; El-Safty, Sherif A.; Shenashen, Mohamed. A.; Elshehy, Emad A.

2013-08-01

The highly toxic properties, bioavailability, and adverse effects of Pb2+ species on the environment and living organisms necessitate periodic monitoring and removal whenever possible of Pb2+ concentrations in the environment. In this study, we designed a novel optical multi-shell nanosphere sensor that enables selective recognition, unrestrained accessibility, continuous monitoring, and efficient removal (on the order of minutes) of Pb2+ ions from water and human blood, i.e., red blood cells (RBCs). The consequent decoration of the mesoporous core/double-shell silica nanospheres through a chemically responsive azo-chromophore with a long hydrophobic tail enabled us to create a unique hierarchical multi-shell sensor. We examined the efficiency of the multi-shell sensor in removing lead ions from the blood to ascertain the potential use of the sensor in medical applications. The lead-induced hemolysis of RBCs in the sensing/capture assay was inhibited by the ability of the hierarchical sensor to remove lead ions from blood. The results suggest the higher flux and diffusion of Pb2+ ions into the mesopores of the core/multi-shell sensor than into the RBC membranes. These findings indicate that the sensor could be used in the prevention of health risks associated with elevated blood lead levels such as anemia.The highly toxic properties, bioavailability, and adverse effects of Pb2+ species on the environment and living organisms necessitate periodic monitoring and removal whenever possible of Pb2+ concentrations in the environment. In this study, we designed a novel optical multi-shell nanosphere sensor that enables selective recognition, unrestrained accessibility, continuous monitoring, and efficient removal (on the order of minutes) of Pb2+ ions from water and human blood, i.e., red blood cells (RBCs). The consequent decoration of the mesoporous core/double-shell silica nanospheres through a chemically responsive azo-chromophore with a long hydrophobic tail enabled us to create a unique hierarchical multi-shell sensor. We examined the efficiency of the multi-shell sensor in removing lead ions from the blood to ascertain the potential use of the sensor in medical applications. The lead-induced hemolysis of RBCs in the sensing/capture assay was inhibited by the ability of the hierarchical sensor to remove lead ions from blood. The results suggest the higher flux and diffusion of Pb2+ ions into the mesopores of the core/multi-shell sensor than into the RBC membranes. These findings indicate that the sensor could be used in the prevention of health risks associated with elevated blood lead levels such as anemia. Electronic supplementary information (ESI) available: The experimental procedures for synthesis of AC-LHT, mesoporous core/double shell silica, and optical core/multi-shell sensors. The adsorption capacity, optical recognition of Pb ions, colorimetric response of Pb ions in ethanol medium, Langmuir adsorption isotherm and reusability of captor are addressed. See DOI: 10.1039/c3nr02403b

Architecture of optical sensor for recognition of multiple toxic metal ions from water.

PubMed

Shenashen, M A; El-Safty, S A; Elshehy, E A

2013-09-15

Here, we designed novel optical sensor based on the wormhole hexagonal mesoporous core/multi-shell silica nanoparticles that enabled the selective recognition and removal of these extremely toxic metals from drinking water. The surface-coating process of a mesoporous core/double-shell silica platforms by several consequence decorations using a cationic surfactant with double alkyl tails (CS-DAT) and then a synthesized dicarboxylate 1,5-diphenyl-3-thiocarbazone (III) signaling probe enabled us to create a unique hierarchical multi-shell sensor. In this design, the high loading capacity and wrapping of the CS-DAT and III organic moieties could be achieved, leading to the formation of silica core with multi-shells that formed from double-silica, CS-DAT, and III dressing layers. In this sensing system, notable changes in color and reflectance intensity of the multi-shelled sensor for Cu(2+), Co(2+), Cd(2+), and Hg(2+) ions, were observed at pH 2, 8, 9.5 and 11.5, respectively. The multi-shelled sensor is added to enable accessibility for continuous monitoring of several different toxic metal ions and efficient multi-ion sensing and removal capabilities with respect to reversibility, selectivity, and signal stability. Copyright © 2013 Elsevier B.V. All rights reserved.

MREG V1.1 : a multi-scale image registration algorithm for SAR applications.

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

Eichel, Paul H.

2013-08-01

MREG V1.1 is the sixth generation SAR image registration algorithm developed by the Signal Processing&Technology Department for Synthetic Aperture Radar applications. Like its predecessor algorithm REGI, it employs a powerful iterative multi-scale paradigm to achieve the competing goals of sub-pixel registration accuracy and the ability to handle large initial offsets. Since it is not model based, it allows for high fidelity tracking of spatially varying terrain-induced misregistration. Since it does not rely on image domain phase, it is equally adept at coherent and noncoherent image registration. This document provides a brief history of the registration processors developed by Dept. 5962more » leading up to MREG V1.1, a full description of the signal processing steps involved in the algorithm, and a user's manual with application specific recommendations for CCD, TwoColor MultiView, and SAR stereoscopy.« less

A reassessment study of multi-material-shell gas puff z-pinches as a pulsed neutron source on the sandia ZR

NASA Astrophysics Data System (ADS)

Chong, Y. K.; Velikovich, A. L.; Thornhil, J. W.; Giuliani, J. L.; Knapp, P.; Jennings, C.

2013-10-01

Over the last few years, numerous 1D and 2D MHD simulation studies of deuterium (D) based double-shell gas-puff Z-pinch implosions driven by the Sandia ZR accelerator have been carried out to assess the Z-pinch as a pulsed thermal fusion neutron source. In these studies, an ad-hoc time-dependent shunt impedance model was used within the external driving circuit model in order to account for the unresolved current loss in the MITL and the load. In this study, we incorporate an improved ZR circuit model recently formulated based on the recent Sandia argon gas-puff experiment circuit data into the multi-material version of the Mach +DDTCRE RMHD code. We reinvestigate the effects of multidimensional structure and nonuniform gradients as well as the outer- and inner-shell material interaction on the implosion physics and dynamics of both D-on-D and argon-on-D Z-pinch loads using the model. Then, we characterize the neutron production performance of the Z-pinch loads as a function of total mass, mass ratio and/or radius toward their optimization as a pulsed thernonuclear neutron source. Work supported by DOE/NNSA. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's NNSA under contract DE-AC04-94AL85000.

Buckling Load Calculations of the Isotropic Shell A-8 Using a High-Fidelity Hierarchical Approach

NASA Technical Reports Server (NTRS)

Arbocz, Johann; Starnes, James H.

2002-01-01

As a step towards developing a new design philosophy, one that moves away from the traditional empirical approach used today in design towards a science-based design technology approach, a test series of 7 isotropic shells carried out by Aristocrat and Babcock at Caltech is used. It is shown how the hierarchical approach to buckling load calculations proposed by Arbocz et al can be used to perform an approach often called 'high fidelity analysis', where the uncertainties involved in a design are simulated by refined and accurate numerical methods. The Delft Interactive Shell DEsign COde (short, DISDECO) is employed for this hierarchical analysis to provide an accurate prediction of the critical buckling load of the given shell structure. This value is used later as a reference to establish the accuracy of the Level-3 buckling load predictions. As a final step in the hierarchical analysis approach, the critical buckling load and the estimated imperfection sensitivity of the shell are verified by conducting an analysis using a sufficiently refined finite element model with one of the current generation two-dimensional shell analysis codes with the advanced capabilities needed to represent both geometric and material nonlinearities.

The Reflection Grating Spectrometer on Board XMM-Newton

NASA Technical Reports Server (NTRS)

denHerder, J. W.; Brinkman, A. C.; Kahn, S. M.; Branduardi-Raymont, G.; Thomsen, K.; Aarts, H.; Audard, M.; Bixler, J. V.; denBoggende, A. J.

2000-01-01

The ESA X-ray Multi Mirror mission, XMM-Newton, carries two identical Reflection Grating Spectrometers (RGS) behind two of its three nested sets of Wolter I type mirrors. The instrument allows high-resolution (E/(Delta)E = 100 to 500) measurements in the soft X-ray range (6 to 38 A or 2.1 to 0.3 keV) with a maximum effective area of about 140 sq cm at 15 A. Its design is optimized for the detection of the K-shell transitions of carbon, nitrogen, oxygen, neon, magnesium, and silicon. as well as the L shell transitions of iron. The present paper gives a full description of the design of the RGS and its operational modes. We also review details of the calibrations and in-orbit performance including the line spread function, the wavelength calibration, the effective area, and the instrumental background.

Coaxial nanofibers containing TiO2 in the shell for water treatment applications

NASA Astrophysics Data System (ADS)

Kizildag, N.; Geltmeyer, J.; Ucar, N.; De Buysser, K.; De Clerck, K.

2017-10-01

In recent years, the basic electrospinning setup has undergone many modifications carried out to enhance the quality and improve the functionality of the resulting nanofibers. Being one of these modifications, coaxial electrospinning has attracted great attention. It enables to use different materials in nanofiber production and produce multi-layered and functional nanofibers in one step. In this study, TiO2 has been added to the shell layer of coaxial nanofibers to develop functional nanofibers which may be used in water treatment applications. The coaxial nanofibers containing TiO2 in the shell layer are compared to uniaxial nanofibers containing TiO2 in bulk fiber structure, regarding their morphology and photocatalytic activity. Uniform uniaxial and coaxial nanofibers with TiO2 were obtained. The average nanofiber diameter of coaxial nanofibers were higher. Coaxial nanofibers, which contained lower amount of TiO2, displayed similar performance to uniaxial nanofibers with TiO2 in terms of photocatalytic degradation ability against isoproturon.

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

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

NASA Astrophysics Data System (ADS)

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

2003-01-01

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

β4 systematics in rare-earth and actinide nuclei: sdg interacting boson model description

NASA Astrophysics Data System (ADS)

Devi, Y. D.; Kota, V. K. B.

1992-07-01

The observed variation of hexadecupole deformation parameter β4 with mass number A in rare-earth and actinide nuclei is studied in the sdg interacting boson model (IBM) using single j-shell Otsuka-Arima-Iachello mapped and IBM-2 to IBM-1 projected hexadecupole transition operator together with SUsdg(3) and SUsdg(5) coherent states. The SUsdg(3) limit is found to provide a good description of data.

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.

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.

77 FR 67353 - Combined Notice of Filings #2

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-09

.... Applicants: Shell Energy North America (U.S.), L.P. Description: Shell Energy North America (U.S.), L.P.... Docket Numbers: ER13-269-000. Applicants: PJM Interconnection, L.L.C. Description: Original Service... p.m. ET 11/21/12. Docket Numbers: ER13-281-000. Applicants: Star Energy Partners LLC. Description...

ONE-ATMOSPHERE DYNAMICS DESCRIPTION IN THE MODELS-3 COMMUNITY MULTI-SCALE QUALITY (CMAQ) MODELING SYSTEM

EPA Science Inventory

This paper proposes a general procedure to link meteorological data with air quality models, such as U.S. EPA's Models-3 Community Multi-scale Air Quality (CMAQ) modeling system. CMAQ is intended to be used for studying multi-scale (urban and regional) and multi-pollutant (ozon...

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).

[Individual growth modeling of the penshell Atrina maura (Bivalvia: Pinnidae) using a multi model inference approach].

PubMed

Aragón-Noriega, Eugenio Alberto

2013-09-01

Growth models of marine animals, for fisheries and/or aquaculture purposes, are based on the popular von Bertalanffy model. This tool is mostly used because its parameters are used to evaluate other fisheries models, such as yield per recruit; nevertheless, there are other alternatives (such as Gompertz, Logistic, Schnute) not yet used by fishery scientists, that may result useful depending on the studied species. The penshell Atrina maura, has been studied for fisheries or aquaculture supplies, but its individual growth has not yet been studied before. The aim of this study was to model the absolute growth of the penshell A. maura using length-age data. For this, five models were assessed to obtain growth parameters: von Bertalanffy, Gompertz, Logistic, Schnute case 1 and Schnute and Richards. The criterion used to select the best models was the Akaike information criterion, as well as the residual squared sum and R2 adjusted. To get the average asymptotic length, the multi model inference approach was used. According to Akaike information criteria, the Gompertz model better described the absolute growth of A. maura. Following the multi model inference approach the average asymptotic shell length was 218.9 mm (IC 212.3-225.5) of shell length. I concluded that the use of the multi model approach and the Akaike information criteria represented the most robust method for growth parameter estimation of A. maura and the von Bertalanffy growth model should not be selected a priori as the true model to obtain the absolute growth in bivalve mollusks like in the studied species in this paper.

Facile synthesis and microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere and multi-shelled NiO hollow sphere

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

Wu, Hongjing, E-mail: wuhongjing@mail.nwpu.edu.cn; Wu, Guanglei, E-mail: wuguanglei@mail.xjtu.edu.cn; Wu, Qiaofeng

2014-11-15

We reported the preparation of C@Ni–NiO core–shell hybrid solid spheres or multi-shelled NiO hollow spheres by combining a facile hydrothermal route with a calcination process in H{sub 2} or air atmosphere, respectively. The synthesized C@Ni–NiO core–shell solid spheres with diameters of approximately 2–6 μm were in fact built from dense NiO nanoparticles coated by random two-dimensional metal Ni nanosheets without any visible pores. The multi-shelled NiO hollow spheres were built from particle-like ligaments and there are a lot of pores with size of several nanometers on the surface. Combined Raman spectra with X-ray photoelectron spectra (XPS), it suggested that themore » defects in the samples play a limited role in the dielectric loss. Compared with the other samples, the permeability of the samples calcined in H{sub 2} and air was increased slightly and the natural resonance frequency shifted to higher frequency (7, 11 and 14 GHz, respectively), leading to an enhancement of microwave absorption property. For the sample calcined in H{sub 2}, an optimal reflection loss less than − 10 was obtained at 7 GHz with a matching thickness of 5.0 mm. Our study demonstrated the potential application of C@Ni–NiO core–shell hybrid solid sphere or multi-shelled NiO hollow sphere as a more efficient electromagnetic (EM) wave absorber. - Highlights: • C@Ni–NiO core–shell hybrid solid sphere was synthesized by a facile method. • Multi-shelled NiO hollow sphere was synthesized by a facile method. • It suggested that the defects in the samples play a limited role in dielectric loss. • The permeability of the samples calcined in H{sub 2} and air was increased. • Microwave absorbability of C@Ni–NiO core–shell hybrid solid sphere was investigated.« less

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

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

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.

Improved Shell models for screened Coulomb balls

NASA Astrophysics Data System (ADS)

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

2006-10-01

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

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.

Slow-Injection Growth of Seeded CdSe/CdS Nanorods with Unity Fluorescence Quantum Yield and Complete Shell to Core Energy Transfer.

PubMed

Coropceanu, Igor; Rossinelli, Aurelio; Caram, Justin R; Freyria, Francesca S; Bawendi, Moungi G

2016-03-22

A two-step process has been developed for growing the shell of CdSe/CdS core/shell nanorods. The method combines an established fast-injection-based step to create the initial elongated shell with a second slow-injection growth that allows for a systematic variation of the shell thickness while maintaining a high degree of monodispersity at the batch level and enhancing the uniformity at the single-nanorod level. The second growth step resulted in nanorods exhibiting a fluorescence quantum yield up to 100% as well as effectively complete energy transfer from the shell to the core. This improvement suggests that the second step is associated with a strong suppression of the nonradiative channels operating both before and after the thermalization of the exciton. This hypothesis is supported by the suppression of a defect band, ubiquitous to CdSe-based nanocrystals after the second growth.

Overcoming the fragility - X-ray computed micro-tomography elucidates brachiopod endoskeletons.

PubMed

Seidel, Ronald; Lüter, Carsten

2014-01-01

The calcareous shells of brachiopods offer a wealth of informative characters for taxonomic and phylogenetic investigations. In particular scanning electron microscopy (SEM) has been used for decades to visualise internal structures of the shell. However, to produce informative SEM data, brachiopod shells need to be opened after chemical removal of the soft tissue. This preparation occasionally damages the shell. Additionally, skeletal elements of taxonomic/systematic interest such as calcareous spicules which are loosely embedded in the lophophore and mantle connective tissue become disintegrated during the preparation process. Using a nondestructive micro-computed tomography (μCT) approach, the entire fragile endoskeleton of brachiopods is documented for the first time. New insights on the structure and position of tissue-bound skeletal elements (spicules) are given as add ons to existing descriptions of brachiopod shell anatomy, thereby enhancing the quality and quantity of informative characters needed for both taxonomic and phylogenetic studies. Here, we present five modern, articulated brachiopods (Rectocalathis schemmgregoryi n. gen., n. sp., Eucalathis sp., Gryphus vitreus, Liothyrella neozelanica and Terebratulina retusa) that were X-rayed using a Phoenix Nanotom XS 180 NF. We provide links to download 3D models of these species, and additional five species with spicules can be accessed in the Supplemental Material. In total, 17 brachiopod genera covering all modern articulated subgroups and 2 inarticulated genera were X-rayed for morphological analysis. Rectocalathis schemmgregoryi n. gen., n. sp. is fully described. Micro-CT is an excellent non-destructive tool for investigating calcified structures in the exo- and endoskeletons of brachiopods. With high quality images and interactive 3D models, this study provides a comprehensive description of the profound differences in shell anatomy, facilitates the detection of new delicate morphological characters of the endoskeleton and gives new insights into the body plan of modern brachiopods.

Electrochemical and Structural Study of a Chemically Dealloyed PtCu Oxygen Reduction Catalyst

PubMed Central

Dutta, Indrajit; Carpenter, Michael K; Balogh, Michael P; Ziegelbauer, Joseph M; Moylan, Thomas E; Atwan, Mohammed H; Irish, Nicholas P

2013-01-01

A carbon-supported, dealloyed platinum-copper (Pt-Cu) oxygen reduction catalyst was prepared using a multi-step synthetic procedure. Material produced at each step was characterized using high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), electron energy loss spectroscopy (EELS) mapping, x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and cyclic voltammetry (CV), and its oxygen reduction reaction (ORR) activity was measured by a thin-film rotating disk electrode (TF-RDE) technique. The initial synthetic step, a co-reduction of metal salts, produced a range of poorly crystalline Pt, Cu, and Pt-Cu alloy nanoparticles that nevertheless exhibited good ORR activity. Annealing this material alloyed the metals and increased particle size and crystallinity. TEM shows the annealed catalyst to include particles of various sizes, large (>25 nm), medium (12–25 nm), and small (<12 nm). Most of the small and medium-sized particles exhibited a partial or complete coreshell (Cu-rich core and Pt shell) structure with the smaller particles typically having more complete shells. The appearance of Pt shells after annealing indicates that they are formed by a thermal diffusion mechanism. Although the specific activity of the catalyst material was more than doubled by annealing, the concomitant decrease in Pt surface area resulted in a drop in its mass activity. Subsequent dealloying of the catalyst by acid treatment to partially remove the copper increased the Pt surface area by changing the morphology of the large and some medium particles to a “Swiss cheese” type structure having many voids. The smaller particles retained their core-shell structure. The specific activity of the catalyst material was little reduced by dealloying, but its mass activity was more than doubled due to the increase in surface area. The possible origins of these results are discussed in this report. PMID:23807900

Towards Characterization, Modeling, and Uncertainty Quantification in Multi-scale Mechanics of Oragnic-rich Shales

NASA Astrophysics Data System (ADS)

Abedi, S.; Mashhadian, M.; Noshadravan, A.

2015-12-01

Increasing the efficiency and sustainability in operation of hydrocarbon recovery from organic-rich shales requires a fundamental understanding of chemomechanical properties of organic-rich shales. This understanding is manifested in form of physics-bases predictive models capable of capturing highly heterogeneous and multi-scale structure of organic-rich shale materials. In this work we present a framework of experimental characterization, micromechanical modeling, and uncertainty quantification that spans from nanoscale to macroscale. Application of experiments such as coupled grid nano-indentation and energy dispersive x-ray spectroscopy and micromechanical modeling attributing the role of organic maturity to the texture of the material, allow us to identify unique clay mechanical properties among different samples that are independent of maturity of shale formations and total organic content. The results can then be used to inform the physically-based multiscale model for organic rich shales consisting of three levels that spans from the scale of elementary building blocks (e.g. clay minerals in clay-dominated formations) of organic rich shales to the scale of the macroscopic inorganic/organic hard/soft inclusion composite. Although this approach is powerful in capturing the effective properties of organic-rich shale in an average sense, it does not account for the uncertainty in compositional and mechanical model parameters. Thus, we take this model one step forward by systematically incorporating the main sources of uncertainty in modeling multiscale behavior of organic-rich shales. In particular we account for the uncertainty in main model parameters at different scales such as porosity, elastic properties and mineralogy mass percent. To that end, we use Maximum Entropy Principle and random matrix theory to construct probabilistic descriptions of model inputs based on available information. The Monte Carlo simulation is then carried out to propagate the uncertainty and consequently construct probabilistic descriptions of properties at multiple length-scales. The combination of experimental characterization and stochastic multi-scale modeling presented in this work improves the robustness in the prediction of essential subsurface parameters in engineering scale.

Termination Shock Transition in Multi-ion Multi-fluid MHD Models of the Heliosphere

NASA Astrophysics Data System (ADS)

Zieger, B.; Opher, M.; Toth, G.

2013-12-01

As evidenced by Voyager 2 observations, pickup ions (PUIs) play a significant role in the termination shock (TS) transition of the solar wind [Richardson et al., Nature, 2008]. Recent kinetic simulations [Ariad and Gedalin, JGR, 2013] came to the conclusion that the contribution of the high energy tail of PUIs is negligible at the shock transition. The Rankine-Hugoniot (R-H) relations are determined by the low energy body of PUIs. Particle-in-cell simulations by Wu et al. [JGR, 2010] have shown that the sum of the thermal solar wind and non-thermal PUI distributions downstream of the TS can be approximated with a 2-Maxwellian distribution. It is important to note that this 2-Maxwellian distribution neglects the suprathermal tail population that has a characteristic power-law distribution. These results justify the fluid description of PUIs in our large-scale multi-ion multi-fluid MHD simulations of the heliospheric interface [Prested et al., JGR, 2013; Zieger et al., GRL, 2013]. The closure of the multi-ion MHD equations could be implemented with separate momentum and energy equations for the different ion species (thermal solar wind and PUIs) where the transfer rate of momentum and energy between the two ion species are considered as source terms, like in Glocer et al. [JGR, 2009]. Another option is to solve for the total energy equation with an additional equation for the PUI pressure, as suggested by Fahr and Chalov [A&A, 2008]. In this paper, we validate the energy conservation and the R-H relations across the TS in different numerical implementations of our latest multi-ion multi-fluid MHD model. We assume an instantaneous pickup process, where the convection velocity of the two ion fluids are the same, and the so-called strong scattering approximation, where newly born PUIs attain their spherical shell distribution within a short distance on fluid scales (spatial scales much larger than the respective ion gyroradius).

Computational modeling of Krypton gas puffs with tailored mass density profiles on Z

DOE PAGES

Jennings, Christopher A.; Ampleford, David J.; Lamppa, Derek C.; ...

2015-05-18

Large diameter multi-shell gas puffs rapidly imploded by high current (~20 MA, ~100 ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at ~13 keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiativemore » output from this combined system. Furthermore, guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-Rayleigh–Taylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission.« less

On a High-Fidelity Hierarchical Approach to Buckling Load Calculations

NASA Technical Reports Server (NTRS)

Arbocz, Johann; Starnes, James H.; Nemeth, Michael P.

2001-01-01

As a step towards developing a new design philosophy, one that moves away from the traditional empirical approach used today in design towards a science-based design technology approach, a recent test series of 5 composite shells carried out by Waters at NASA Langley Research Center is used. It is shown how the hierarchical approach to buckling load calculations proposed by Arbocz et al can be used to perform an approach often called "high fidelity analysis", where the uncertainties involved in a design are simulated by refined and accurate numerical methods. The Delft Interactive Shell DEsign COde (short, DISDECO) is employed for this hierarchical analysis to provide an accurate prediction of the critical buckling load of the given shell structure. This value is used later as a reference to establish the accuracy of the Level-3 buckling load predictions. As a final step in the hierarchical analysis approach, the critical buckling load and the estimated imperfection sensitivity of the shell are verified by conducting an analysis using a sufficiently refined finite element model with one of the current generation two-dimensional shell analysis codes with the advanced capabilities needed to represent both geometric and material nonlinearities.

Ab Initio Crystal Field for Lanthanides.

PubMed

Ungur, Liviu; Chibotaru, Liviu F

2017-03-13

An ab initio methodology for the first-principle derivation of crystal-field (CF) parameters for lanthanides is described. The methodology is applied to the analysis of CF parameters in [Tb(Pc) 2 ] - (Pc=phthalocyanine) and Dy 4 K 2 ([Dy 4 K 2 O(OtBu) 12 ]) complexes, and compared with often used approximate and model descriptions. It is found that the application of geometry symmetrization, and the use of electrostatic point-charge and phenomenological CF models, lead to unacceptably large deviations from predictions based on ab initio calculations for experimental geometry. It is shown how the predictions of standard CASSCF (Complete Active Space Self-Consistent Field) calculations (with 4f orbitals in the active space) can be systematically improved by including effects of dynamical electronic correlation (CASPT2 step) and by admixing electronic configurations of the 5d shell. This is exemplified for the well-studied Er-trensal complex (H 3 trensal=2,2',2"-tris(salicylideneimido)trimethylamine). The electrostatic contributions to CF parameters in this complex, calculated with true charge distributions in the ligands, yield less than half of the total CF splitting, thus pointing to the dominant role of covalent effects. This analysis allows the conclusion that ab initio crystal field is an essential tool for the decent description of lanthanides. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling Thermal Transport and Surface Deformation on Europa using Realistic Rheologies

NASA Astrophysics Data System (ADS)

Linneman, D.; Lavier, L.; Becker, T. W.; Soderlund, K. M.

2017-12-01

Most existing studies of Europa's icy shell model the ice as a Maxwell visco-elastic solid or viscous fluid. However, these approaches do not allow for modeling of localized deformation of the brittle part of the ice shell, which is important for understanding the satellite's evolution and unique geology. Here, we model the shell as a visco-elasto-plastic material, with a brittle Mohr-Coulomb elasto-plastic layer on top of a convective Maxwell viscoelastic layer, to investigate how thermal transport processes relate to the observed deformation and topography on Europa's surface. We use Fast Lagrangian Analysis of Continua (FLAC) code, which employs an explicit time-stepping algorithm to simulate deformation processes in Europa's icy shell. Heat transfer drives surface deformation within the icy shell through convection and tidal dissipation due to its elliptical orbit around Jupiter. We first analyze the visco-elastic behavior of a convecting ice layer and the parameters that govern this behavior. The regime of deformation depends on the magnitude of the stress (diffusion creep at low stresses, grain-size-sensitive creep at intermediate stresses, dislocation creep at high stresses), so we calculate effective viscosity each time step using the constitutive stress-strain equation and a combined flow law that accounts for all types of deformation. Tidal dissipation rate is calculated as a function of the temperature-dependent Maxwell relaxation time and the square of the second invariant of the strain rate averaged over each orbital period. After we initiate convection in the viscoelastic layer by instituting an initial temperature perturbation, we then add an elastoplastic layer on top of the convecting layer and analyze how the brittle ice reacts to stresses from below and any resulting topography. We also take into account shear heating along fractures in the brittle layer. We vary factors such as total shell thickness and minimum viscosity, as these parameters are not well constrained, and determine how this affects the thickness and deformation of the brittle layer.

Multi-scale hierarchy of Chelydra serpentina: microstructure and mechanical properties of turtle shell.

PubMed

Balani, Kantesh; Patel, Riken R; Keshri, Anup K; Lahiri, Debrupa; Agarwal, Arvind

2011-10-01

Carapace, the protective shell of a freshwater snapping turtle, Chelydra serpentina, shields them from ferocious attacks of their predators while maintaining light-weight and agility for a swim. The microstructure and mechanical properties of the turtle shell are very appealing to materials scientists and engineers for bio-mimicking, to obtain a multi-functional surface. In this study, we have elucidated the complex microstructure of a dry Chelydra serpentina's shell which is very similar to a multi-layered composite structure. The microstructure of a turtle shell's carapace elicits a sandwich structure of waxy top surface with a harder sub-surface layer serving as a shielding structure, followed by a lamellar carbonaceous layer serving as shock absorber, and the inner porous matrix serves as a load-bearing scaffold while acting as reservoir of retaining water and nutrients. The mechanical properties (elastic modulus and hardness) of various layers obtained via nanoindentation corroborate well with the functionality of each layer. Elastic modulus ranged between 0.47 and 22.15 GPa whereas hardness varied between 53.7 and 522.2 MPa depending on the microstructure of the carapace layer. Consequently, the modulus of each layer was represented into object oriented finite element (OOF2) modeling towards extracting the overall effective modulus of elasticity (~4.75 GPa) of a turtle's carapace. Stress distribution of complex layered structure was elicited with an applied strain of 1% in order to understand the load sharing of various composite layers in the turtle's carapace. Copyright © 2011 Elsevier Ltd. All rights reserved.

A colored petri nets based workload evaluation model and its validation through Multi-Attribute Task Battery-II.

PubMed

Wang, Peng; Fang, Weining; Guo, Beiyuan

2017-04-01

This paper proposed a colored petri nets based workload evaluation model. A formal interpretation of workload was firstly introduced based on the process that reflection of petri nets components to task. A petri net based description of Multiple Resources theory was given by comprehending it from a new angle. A new application of VACP rating scales named V/A-C-P unit, and the definition of colored transitions were proposed to build a model of task process. The calculation of workload mainly has the following four steps: determine token's initial position and values; calculate the weight of directed arcs on the basis of the rules proposed; calculate workload from different transitions, and correct the influence of repetitive behaviors. Verify experiments were carried out based on Multi-Attribute Task Battery-II software. Our results show that there is a strong correlation between the model values and NASA -Task Load Index scores (r=0.9513). In addition, this method can also distinguish behavior characteristics between different people. Copyright © 2016 Elsevier Ltd. All rights reserved.

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

NASA Technical Reports Server (NTRS)

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

1996-01-01

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

Multi-Element X-Ray Shields for Spacecraft

DTIC Science & Technology

1983-12-30

34 Theoretical Photoionization Crcss Sections from I to 1500 keV", UCRL-51326 (1973). Values are given for shells and subshells as well as the atomic...effect data are from Hubbell, et al.1 The photoeffect data are from Scofield 2 at 1.0 keV and greater; values at 0.5 to 1.0 keV are from Veigele.3 An...example (not requiring interpolation) is given in Table I, the case of a 100 keV x-ray on lead. Each step in the process of filling the photoionization

Theoretical study of the kinetics of chlorine atom abstraction from chloromethanes by atomic chlorine.

PubMed

Brudnik, Katarzyna; Twarda, Maria; Sarzyński, Dariusz; Jodkowski, Jerzy T

2013-10-01

Ab initio calculations at the G3 level were used in a theoretical description of the kinetics and mechanism of the chlorine abstraction reactions from mono-, di-, tri- and tetra-chloromethane by chlorine atoms. The calculated profiles of the potential energy surface of the reaction systems show that the mechanism of the studied reactions is complex and the Cl-abstraction proceeds via the formation of intermediate complexes. The multi-step reaction mechanism consists of two elementary steps in the case of CCl4 + Cl, and three for the other reactions. Rate constants were calculated using the theoretical method based on the RRKM theory and the simplified version of the statistical adiabatic channel model. The temperature dependencies of the calculated rate constants can be expressed, in temperature range of 200-3,000 K as [Formula: see text]. The rate constants for the reverse reactions CH3/CH2Cl/CHCl2/CCl3 + Cl2 were calculated via the equilibrium constants derived theoretically. The kinetic equations [Formula: see text] allow a very good description of the reaction kinetics. The derived expressions are a substantial supplement to the kinetic data necessary to describe and model the complex gas-phase reactions of importance in combustion and atmospheric chemistry.

Unexpected distribution of ν 1 f 7 / 2 strength in Ca 49

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

Crawford, H. L.; Macchiavelli, A. O.; Fallon, P.

Here, the calcium isotopes have emerged as a critical testing ground for new microscopically derived shell-model interactions, and a great deal of experimental and theoretical focus has been directed toward this region. We investigate the relative spectroscopic strengths associated with 1f 7/2 neutron hole states in 47,49Ca following one-neutron knockout reactions from 48,50Ca. The observed reduction of strength populating the 7/2 – 1 state in 49Ca, as compared to 47Ca, is inconsistent with shell-model calculations using both phenomenological interactions such as GXPF1, and interactions derived from microscopically based two- and three-nucleon forces. The result suggests a fragmentation of the lmore » = 3 strength to higher-lying states as suggested by the microscopic calculations, but the observed magnitude of the reduction is not reproduced in any shell-model description.« less

Gamow-Teller Strength Distributions in {sup 48}Sc by the {sup 48}Ca(p,n) and {sup 48}Ti(n,p) Reactions and Two-Neutrino Double-beta Decay Nuclear Matrix Elements

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

Yako, K.; Sasano, M.; Miki, K.

2009-07-03

The double-differential cross sections for the {sup 48}Ca(p,n) and {sup 48}Ti(n,p) reactions were measured at 300 MeV. A multipole decomposition technique was applied to the spectra to extract the Gamow-Teller (GT) components. The integrated GT strengths up to an excitation energy of 30 MeV in {sup 48}Sc are 15.3+-2.2 and 2.8+-0.3 in the (p,n) and (n,p) spectra, respectively. In the (n,p) spectra additional GT strengths were found above 8 MeV where shell models within the fp shell-model space predict almost no GT strengths, suggesting that the present shell-model description of the nuclear matrix element of the two-neutrino double-beta decay ismore » incomplete.« less

Unexpected distribution of ν 1 f 7 / 2 strength in Ca 49

DOE PAGES

Crawford, H. L.; Macchiavelli, A. O.; Fallon, P.; ...

2017-06-21

Here, the calcium isotopes have emerged as a critical testing ground for new microscopically derived shell-model interactions, and a great deal of experimental and theoretical focus has been directed toward this region. We investigate the relative spectroscopic strengths associated with 1f 7/2 neutron hole states in 47,49Ca following one-neutron knockout reactions from 48,50Ca. The observed reduction of strength populating the 7/2 – 1 state in 49Ca, as compared to 47Ca, is inconsistent with shell-model calculations using both phenomenological interactions such as GXPF1, and interactions derived from microscopically based two- and three-nucleon forces. The result suggests a fragmentation of the lmore » = 3 strength to higher-lying states as suggested by the microscopic calculations, but the observed magnitude of the reduction is not reproduced in any shell-model description.« less

Multi-Step Time Series Forecasting with an Ensemble of Varied Length Mixture Models.

PubMed

Ouyang, Yicun; Yin, Hujun

2018-05-01

Many real-world problems require modeling and forecasting of time series, such as weather temperature, electricity demand, stock prices and foreign exchange (FX) rates. Often, the tasks involve predicting over a long-term period, e.g. several weeks or months. Most existing time series models are inheritably for one-step prediction, that is, predicting one time point ahead. Multi-step or long-term prediction is difficult and challenging due to the lack of information and uncertainty or error accumulation. The main existing approaches, iterative and independent, either use one-step model recursively or treat the multi-step task as an independent model. They generally perform poorly in practical applications. In this paper, as an extension of the self-organizing mixture autoregressive (AR) model, the varied length mixture (VLM) models are proposed to model and forecast time series over multi-steps. The key idea is to preserve the dependencies between the time points within the prediction horizon. Training data are segmented to various lengths corresponding to various forecasting horizons, and the VLM models are trained in a self-organizing fashion on these segments to capture these dependencies in its component AR models of various predicting horizons. The VLM models form a probabilistic mixture of these varied length models. A combination of short and long VLM models and an ensemble of them are proposed to further enhance the prediction performance. The effectiveness of the proposed methods and their marked improvements over the existing methods are demonstrated through a number of experiments on synthetic data, real-world FX rates and weather temperatures.

Multi-photon excited luminescence of magnetic FePt core-shell nanoparticles.

PubMed

Seemann, K M; Kuhn, B

2014-07-01

We present magnetic FePt nanoparticles with a hydrophilic, inert, and biocompatible silico-tungsten oxide shell. The particles can be functionalized, optically detected, and optically manipulated. To show the functionalization the fluorescent dye NOPS was bound to the FePt core-shell nanoparticles with propyl-triethoxy-silane linkers and fluorescence of the labeled particles were observed in ethanol (EtOH). In aqueous dispersion the NOPS fluorescence is quenched making them invisible using 1-photon excitation. However, we observe bright luminescence of labeled and even unlabeled magnetic core-shell nanoparticles with multi-photon excitation. Luminescence can be detected in the near ultraviolet and the full visible spectral range by near infrared multi-photon excitation. For optical manipulation, we were able to drag clusters of particles, and maybe also single particles, by a focused laser beam that acts as optical tweezers by inducing an electric dipole in the insulated metal nanoparticles. In a first application, we show that the luminescence of the core-shell nanoparticles is bright enough for in vivo multi-photon imaging in the mouse neocortex down to cortical layer 5.

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

NASA Astrophysics Data System (ADS)

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-01

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

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

PubMed

Cukras, Janusz; Decleva, Piero; Coriani, Sonia

2014-11-07

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

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

PubMed

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

2017-08-17

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

Time-resolved photoluminescence study of CdSe/CdMnS/CdS core/multi-shell nanoplatelets

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

Murphy, J. R.; Department of Physics, State University of New York, University at Buffalo, Buffalo, New York 14260; Delikanli, S.

2016-06-13

We used photoluminescence spectroscopy to resolve two emission features in CdSe/CdMnS/CdS and CdSe/CdS core/multi-shell nanoplatelet heterostructures. The photoluminescence from the magnetic sample has a positive circular polarization with a maximum centered at the position of the lower energy feature. The higher energy feature has a corresponding signature in the absorption spectrum; this is not the case for the low-energy feature. We have also studied the temporal evolution of these features using a pulsed-excitation/time-resolved photoluminescence technique to investigate their corresponding recombination channels. A model was used to analyze the temporal dynamics of the photoluminescence which yielded two distinct timescales associated withmore » these recombination channels. The above results indicate that the low-energy feature is associated with recombination of electrons with holes localized at the core/shell interfaces; the high-energy feature, on the other hand, is excitonic in nature with the holes confined within the CdSe cores.« less

The Status of Multi-Dimensional Core-Collapse Supernova Models

NASA Astrophysics Data System (ADS)

Müller, B.

2016-09-01

Models of neutrino-driven core-collapse supernova explosions have matured considerably in recent years. Explosions of low-mass progenitors can routinely be simulated in 1D, 2D, and 3D. Nucleosynthesis calculations indicate that these supernovae could be contributors of some lighter neutron-rich elements beyond iron. The explosion mechanism of more massive stars remains under investigation, although first 3D models of neutrino-driven explosions employing multi-group neutrino transport have become available. Together with earlier 2D models and more simplified 3D simulations, these have elucidated the interplay between neutrino heating and hydrodynamic instabilities in the post-shock region that is essential for shock revival. However, some physical ingredients may still need to be added/improved before simulations can robustly explain supernova explosions over a wide range of progenitors. Solutions recently suggested in the literature include uncertainties in the neutrino rates, rotation, and seed perturbations from convective shell burning. We review the implications of 3D simulations of shell burning in supernova progenitors for the `perturbations-aided neutrino-driven mechanism,' whose efficacy is illustrated by the first successful multi-group neutrino hydrodynamics simulation of an 18 solar mass progenitor with 3D initial conditions. We conclude with speculations about the impact of 3D effects on the structure of massive stars through convective boundary mixing.

Design of multi-shell Fe2O3@MnOx@CNTs for the selective catalytic reduction of NO with NH3: improvement of catalytic activity and SO2 tolerance

NASA Astrophysics Data System (ADS)

Cai, Sixiang; Hu, Hang; Li, Hongrui; Shi, Liyi; Zhang, Dengsong

2016-02-01

Manganese based catalysts are highly active in the NH3-SCR reaction for NOx removal. Unfortunately, manganese oxides can be easily deactivated by sulfur dioxide in the flow gas, which has become the main obstacle for their practical applications. To address this problem, we presented a green and facile method for the synthesis of multi-shell Fe2O3@MnOx@CNTs. The morphology and structural properties of the catalysts were systematically investigated. The results revealed that the MnOx@CNT core-shell structure was formed during the chemical bath deposition, while the outermost MnOx species were transformed to Fe2O3 after the galvanic replacement reaction. The formation of the multi-shell structure induced the enhancement of the active oxygen species, reducible species as well as adsorption of the reactants, which brought about excellent de-NOx performance. Moreover, the Fe2O3 shell could effectively suppress the formation of the surface sulfate species, leading to the desirable SO2 resistance to the multi-shell catalyst. Hence, the synthesis protocol could provide guidance for the preparation and elevation of manganese based catalysts.Manganese based catalysts are highly active in the NH3-SCR reaction for NOx removal. Unfortunately, manganese oxides can be easily deactivated by sulfur dioxide in the flow gas, which has become the main obstacle for their practical applications. To address this problem, we presented a green and facile method for the synthesis of multi-shell Fe2O3@MnOx@CNTs. The morphology and structural properties of the catalysts were systematically investigated. The results revealed that the MnOx@CNT core-shell structure was formed during the chemical bath deposition, while the outermost MnOx species were transformed to Fe2O3 after the galvanic replacement reaction. The formation of the multi-shell structure induced the enhancement of the active oxygen species, reducible species as well as adsorption of the reactants, which brought about excellent de-NOx performance. Moreover, the Fe2O3 shell could effectively suppress the formation of the surface sulfate species, leading to the desirable SO2 resistance to the multi-shell catalyst. Hence, the synthesis protocol could provide guidance for the preparation and elevation of manganese based catalysts. Electronic supplementary information (ESI) available: Experimental details and catalytic performance of the Fe-Mn@CNTs IM, TEM images of Fe@Mn CNTs, stability and H2O resistance studies of the catalysts. See DOI: 10.1039/c5nr08701e

Design and Development of Thin Plastic Foil, Conical Approximation, High Through-out X-Ray Telescope: Light Weight, Thin Plastic Foil, X-Ray Telescopes

NASA Technical Reports Server (NTRS)

Schnopper, Herbert W.; Barbera, Marco; Silver, Eric; Ingram, Russell; Christensen, Finn E.; Romaine, Suzanne; Cohen, Lester; Collura, Alfonso; Murray, Stephen S.; Brinton, John C. (Technical Monitor)

2002-01-01

We present results from a program to develop an X-ray telescope made from thin plastic shells. Our initial results have been obtained from multi-shell cylindrical lenses that are used in a point-to-point configuration to image the small focal spot of a an X-ray tube on a microchannel plate detector. We describe the steps that led up to the present design and present data from the tests that have been used to identify the properties of the plastic material that make it a suitable X-ray reflector. We discuss two applications of our technology to X-ray missions that are designed to address some of the scientific priorities set forth in NASA's long term plans for high energy astrophysics. One mission will observe in the 1 - 10 keV band, the other will extend up to ca. 100 keV.

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."

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 Hybrid Model for Multiscale Laser Plasma Simulations with Detailed Collisional Physics

DTIC Science & Technology

2017-06-23

the effects of inelastic collisions on the Multi-Fluid description of plasmas. 15. SUBJECT TERMS Electric propulsion; plasma; collisional...modeling as well as the effects of inelastic collisions on the Multi-Fluid description of plasmas. This work has been recognized in two workshop...encountered during simulation was to define when breakdown occurred during the simulation and correlating the results to the experimentally determined

Broadband absorption and enhanced photothermal conversion property of octopod-like Ag@Ag2S core@shell structures with gradually varying shell thickness.

PubMed

Jiang, Qian; Zeng, Wenxia; Zhang, Canying; Meng, Zhaoguo; Wu, Jiawei; Zhu, Qunzhi; Wu, Daxiong; Zhu, Haitao

2017-12-19

Photothermal conversion materials have promising applications in many fields and therefore they have attracted tremendous attention. However, the multi-functionalization of a single nanostructure to meet the requirements of multiple photothermal applications is still a challenge. The difficulty is that most nanostructures have specific absoprtion band and are not flexible to different demands. In the current work, we reported the synthesis and multi-band photothermal conversion of Ag@Ag 2 S core@shell structures with gradually varying shell thickness. We synthesized the core@shell structures through the sulfidation of Ag nanocubes by taking the advantage of their spatially different reactivity. The resulting core@shell structures show an octopod-like mopgorlogy with a Ag 2 S bulge sitting at each corner of the Ag nanocubes. The thickness of the Ag 2 S shell gradually increases from the central surface towards the corners of the structure. The synthesized core@shell structures show a broad band absorption spectrum from 300 to 1100 nm. Enhanced photothermal conversion effect is observed under the illuminations of 635, 808, and 1064 nm lasers. The results indicate that the octopod-like Ag@Ag 2 S core@shell structures have characteristics of multi-band photothermal conversion. The current work might provide a guidance for the design and synthesis of multifunctional photothermal conversion materials.

Continuous Video Modeling to Assist with Completion of Multi-Step Home Living Tasks by Young Adults with Moderate Intellectual Disability

ERIC Educational Resources Information Center

Mechling, Linda C.; Ayres, Kevin M.; Bryant, Kathryn J.; Foster, Ashley L.

2014-01-01

The current study evaluated a relatively new video-based procedure, continuous video modeling (CVM), to teach multi-step cleaning tasks to high school students with moderate intellectual disability. CVM in contrast to video modeling and video prompting allows repetition of the video model (looping) as many times as needed while the user completes…

Impact of user influence on information multi-step communication in a micro-blog

NASA Astrophysics Data System (ADS)

Wu, Yue; Hu, Yong; He, Xiao-Hai; Deng, Ken

2014-06-01

User influence is generally considered as one of the most critical factors that affect information cascading spreading. Based on this common assumption, this paper proposes a theoretical model to examine user influence on the information multi-step communication in a micro-blog. The multi-steps of information communication are divided into first-step and non-first-step, and user influence is classified into five dimensions. Actual data from the Sina micro-blog is collected to construct the model by means of an approach based on structural equations that uses the Partial Least Squares (PLS) technique. Our experimental results indicate that the dimensions of the number of fans and their authority significantly impact the information of first-step communication. Leader rank has a positive impact on both first-step and non-first-step communication. Moreover, global centrality and weight of friends are positively related to the information non-first-step communication, but authority is found to have much less relation to it.

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.

Multi-functional electrospun antibacterial core-shell nanofibrous membranes for prolonged prevention of post-surgical tendon adhesion and inflammation.

PubMed

Shalumon, K T; Sheu, Chialin; Chen, Chih-Hao; Chen, Shih-Heng; Jose, Gils; Kuo, Chang-Yi; Chen, Jyh-Ping

2018-05-01

The possibility of endowing an electrospun anti-adhesive barrier membrane with multi-functionality, such as lubrication, prevention of fibroblast attachment and anti-infection and anti-inflammation properties, is highly desirable for the management of post-surgical tendon adhesion. To this end, we fabricated core-shell nanofibrous membranes (CSNMs) with embedded silver nanoparticles (Ag NPs) in the poly(ethylene glycol) (PEG)/poly(caprolactone) (PCL) shell and hyaluronic acid (HA)/ibuprofen in the core. HA imparted a lubrication effect for smooth tendon gliding and reduced fibroblast attachment, while Ag NPs and ibuprofen functioned as anti-infection and anti-inflammation agents, respectively. CSNMs with a PEG/PCL/Ag shell (PPA) and HA core containing 0% (H/PPA), 10% (HI10/PPA), 30% (HI30/PPA) and 50% (HI50/PPA) ibuprofen were fabricated through co-axial electrospinning and assessed through microscopic, spectroscopic, thermal, mechanical and drug release analyses. Considering nutrient passage through the barrier, the microporous CSNMs exerted the same barrier effect but drastically increased the mass transfer coefficients of bovine serum albumin compared with the commercial anti-adhesive membrane SurgiWrap®. Cell attachment/focal adhesion formation of fibroblasts revealed effective reduction of initial cell attachment on the CSNM surface with minimum cytotoxicity (except HI50/PPA). The anti-bacterial effect against both Gram-negative and Gram-positive bacteria was verified to be due to the Ag NPs in the membranes. In vivo studies using H/PPA and HI30/PPA CSNMs and SurgiWrap® in a rabbit flexor tendon rupture model demonstrated the improved efficacy of HI30/PPA CSNMs in reducing inflammation and tendon adhesion formation based on gross observation, histological analysis and functional assays. We conclude that HI30/PPA CSNMs can act as a multifunctional barrier membrane to prevent peritendinous adhesion after tendon surgery. A multi-functional anti-adhesion barrier membrane that could reduce fibroblasts attachment and penetration while simultaneously prevent post-surgical infection and inflammation is urgently needed. To this end, we prepared electrospun core-shell hyaluronic acid + ibuprofen/polyethylene glycol + polycaprolactone + Ag nanoparticles nanofibrous membranes by co-axial electrospinning as an ideal anti-adhesive membrane. The core-shell structure could meet the need of a desirable anti-adhesion barrier through release of ibuprofen and Ag nanoparticles to reduce infection and inflammation while hyaluronic acid can reduce fibroblasts adhesion. The superior performance of this multi-functional core-shell nanofibrous membrane in preventing peritendinous adhesion and post-surgical inflammation was demonstrated in a rabbit flexor tendon rupture model. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

A two-column formalism for time-dependent modelling of stellar convection. I. Description of the method

NASA Astrophysics Data System (ADS)

Stökl, A.

2008-11-01

Context: In spite of all the advances in multi-dimensional hydrodynamics, investigations of stellar evolution and stellar pulsations still depend on one-dimensional computations. This paper devises an alternative to the mixing-length theory or turbulence models usually adopted in modelling convective transport in such studies. Aims: The present work attempts to develop a time-dependent description of convection, which reflects the essential physics of convection and that is only moderately dependent on numerical parameters and far less time consuming than existing multi-dimensional hydrodynamics computations. Methods: Assuming that the most extensive convective patterns generate the majority of convective transport, the convective velocity field is described using two parallel, radial columns to represent up- and downstream flows. Horizontal exchange, in the form of fluid flow and radiation, over their connecting interface couples the two columns and allows a simple circulating motion. The main parameters of this convective description have straightforward geometrical meanings, namely the diameter of the columns (corresponding to the size of the convective cells) and the ratio of the cross-section between up- and downdrafts. For this geometrical setup, the time-dependent solution of the equations of radiation hydrodynamics is computed from an implicit scheme that has the advantage of being unaffected by the Courant-Friedrichs-Lewy time-step limit. This implementation is part of the TAPIR-Code (short for The adaptive, implicit RHD-Code). Results: To demonstrate the approach, results for convection zones in Cepheids are presented. The convective energy transport and convective velocities agree with expectations for Cepheids and the scheme reproduces both the kinetic energy flux and convective overshoot. A study of the parameter influence shows that the type of solution derived for these stars is in fact fairly robust with respect to the constitutive numerical parameters.

Research on Multi - Person Parallel Modeling Method Based on Integrated Model Persistent Storage

NASA Astrophysics Data System (ADS)

Qu, MingCheng; Wu, XiangHu; Tao, YongChao; Liu, Ying

2018-03-01

This paper mainly studies the multi-person parallel modeling method based on the integrated model persistence storage. The integrated model refers to a set of MDDT modeling graphics system, which can carry out multi-angle, multi-level and multi-stage description of aerospace general embedded software. Persistent storage refers to converting the data model in memory into a storage model and converting the storage model into a data model in memory, where the data model refers to the object model and the storage model is a binary stream. And multi-person parallel modeling refers to the need for multi-person collaboration, the role of separation, and even real-time remote synchronization modeling.

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.

Shell alterations in limpets as putative biomarkers for multi-impacted coastal areas.

PubMed

Begliomini, Felipe Nincao; Maciel, Daniele Claudino; de Almeida, Sérgio Mendonça; Abessa, Denis Moledo; Maranho, Luciane Alves; Pereira, Camilo Seabra; Yogui, Gilvan Takeshi; Zanardi-Lamardo, Eliete; Castro, Ítalo Braga

2017-07-01

During the last years, shell alterations in gastropods have been proposed as tools to be used in monitoring programs. However, no studies were so far performed investigating the relationships among shell parameters and classical biomarkers of damage. The relationship between shell alterations (biometrics, shape and elemental composition) and biomarkers (LPO and DNA strand break) was evaluated in the limpet L. subrugosa sampled along a contamination gradient in a multi-impacted coastal zone from southeastern Brazil. Statistically significant differences were detected among sites under different pollution levels. The occurrence of shell malformations was consistent with environmental levels of several hazardous substances reported for the studied area and related to lipid peroxidation and DNA damage. In addition, considering the low mobility, wide geographic distribution, ease of collection and abundance of limpets in coastal zones, this putative tool may be a cost-effective alternative to traditional biomarkers. Thus, shell alterations in limpets seem to be good proxies for assessing biological adverse effects in multi-impacted coastal zones. Copyright © 2017 Elsevier Ltd. All rights reserved.

Blast-wave model description of the Hanbury-Brown-Twiss radii in pp collisions at LHC energies

NASA Astrophysics Data System (ADS)

Bialas, Andrzej; Florkowski, Wojciech; Zalewski, Kacper

2015-04-01

The blast wave model is applied to the recent data on Hanbury-Brown-Twiss radii in pp collisions, measured by the ALICE Collaboration. A reasonable description of data is obtained for a rather low temperature of the kinetic freeze-out, T≃ 100 MeV, and the transverse profile corresponding to the emission from a shell of a fairly small width 2δ ˜ 1.5 fm. The size and the life-time of the produced system are determined for various multiplicities of the produced particles.

Direct simulation Monte Carlo modeling of relaxation processes in polyatomic gases

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

Pfeiffer, M., E-mail: mpfeiffer@irs.uni-stuttgart.de; Nizenkov, P., E-mail: nizenkov@irs.uni-stuttgart.de; Mirza, A., E-mail: mirza@irs.uni-stuttgart.de

2016-02-15

Relaxation processes of polyatomic molecules are modeled and implemented in an in-house Direct Simulation Monte Carlo code in order to enable the simulation of atmospheric entry maneuvers at Mars and Saturn’s Titan. The description of rotational and vibrational relaxation processes is derived from basic quantum-mechanics using a rigid rotator and a simple harmonic oscillator, respectively. Strategies regarding the vibrational relaxation process are investigated, where good agreement for the relaxation time according to the Landau-Teller expression is found for both methods, the established prohibiting double relaxation method and the new proposed multi-mode relaxation. Differences and applications areas of these two methodsmore » are discussed. Consequently, two numerical methods used for sampling of energy values from multi-dimensional distribution functions are compared. The proposed random-walk Metropolis algorithm enables the efficient treatment of multiple vibrational modes within a time step with reasonable computational effort. The implemented model is verified and validated by means of simple reservoir simulations and the comparison to experimental measurements of a hypersonic, carbon-dioxide flow around a flat-faced cylinder.« less

Direct simulation Monte Carlo modeling of relaxation processes in polyatomic gases

NASA Astrophysics Data System (ADS)

Pfeiffer, M.; Nizenkov, P.; Mirza, A.; Fasoulas, S.

2016-02-01

Relaxation processes of polyatomic molecules are modeled and implemented in an in-house Direct Simulation Monte Carlo code in order to enable the simulation of atmospheric entry maneuvers at Mars and Saturn's Titan. The description of rotational and vibrational relaxation processes is derived from basic quantum-mechanics using a rigid rotator and a simple harmonic oscillator, respectively. Strategies regarding the vibrational relaxation process are investigated, where good agreement for the relaxation time according to the Landau-Teller expression is found for both methods, the established prohibiting double relaxation method and the new proposed multi-mode relaxation. Differences and applications areas of these two methods are discussed. Consequently, two numerical methods used for sampling of energy values from multi-dimensional distribution functions are compared. The proposed random-walk Metropolis algorithm enables the efficient treatment of multiple vibrational modes within a time step with reasonable computational effort. The implemented model is verified and validated by means of simple reservoir simulations and the comparison to experimental measurements of a hypersonic, carbon-dioxide flow around a flat-faced cylinder.

Generation of a mesoporous silica MSU shell onto solid core silica nanoparticles using a simple two-step sol-gel process.

PubMed

Allouche, Joachim; Dupin, Jean-Charles; Gonbeau, Danielle

2011-07-14

Silica core-shell nanoparticles with a MSU shell have been synthesized using several non-ionic poly(ethylene oxide) based surfactants via a two step sol-gel method. The materials exhibit a typical worm-hole pore structure and tunable pore diameters between 2.4 nm and 5.8 nm.

Universal analytical scattering form factor for shell-, core-shell, or homogeneous particles with continuously variable density profile shape.

PubMed

Foster, Tobias

2011-09-01

A novel analytical and continuous density distribution function with a widely variable shape is reported and used to derive an analytical scattering form factor that allows us to universally describe the scattering from particles with the radial density profile of homogeneous spheres, shells, or core-shell particles. Composed by the sum of two Fermi-Dirac distribution functions, the shape of the density profile can be altered continuously from step-like via Gaussian-like or parabolic to asymptotically hyperbolic by varying a single "shape parameter", d. Using this density profile, the scattering form factor can be calculated numerically. An analytical form factor can be derived using an approximate expression for the original Fermi-Dirac distribution function. This approximation is accurate for sufficiently small rescaled shape parameters, d/R (R being the particle radius), up to values of d/R ≈ 0.1, and thus captures step-like, Gaussian-like, and parabolic as well as asymptotically hyperbolic profile shapes. It is expected that this form factor is particularly useful in a model-dependent analysis of small-angle scattering data since the applied continuous and analytical function for the particle density profile can be compared directly with the density profile extracted from the data by model-free approaches like the generalized inverse Fourier transform method. © 2011 American Chemical Society

Simulation study of 3-5 keV x-ray conversion efficiency from Ar K-shell vs. Ag L-shell targets on the National Ignition Facility laser

NASA Astrophysics Data System (ADS)

Kemp, G. E.; Colvin, J. D.; Fournier, K. B.; May, M. J.; Barrios, M. A.; Patel, M. V.; Scott, H. A.; Marinak, M. M.

2015-05-01

Tailored, high-flux, multi-keV x-ray sources are desirable for studying x-ray interactions with matter for various civilian, space and military applications. For this study, we focus on designing an efficient laser-driven non-local thermodynamic equilibrium 3-5 keV x-ray source from photon-energy-matched Ar K-shell and Ag L-shell targets at sub-critical densities (˜nc/10) to ensure supersonic, volumetric laser heating with minimal losses to kinetic energy, thermal x rays and laser-plasma instabilities. Using Hydra, a multi-dimensional, arbitrary Lagrangian-Eulerian, radiation-hydrodynamics code, we performed a parameter study by varying initial target density and laser parameters for each material using conditions readily achievable on the National Ignition Facility (NIF) laser. We employ a model, benchmarked against Kr data collected on the NIF, that uses flux-limited Lee-More thermal conductivity and multi-group implicit Monte-Carlo photonics with non-local thermodynamic equilibrium, detailed super-configuration accounting opacities from Cretin, an atomic-kinetics code. While the highest power laser configurations produced the largest x-ray yields, we report that the peak simulated laser to 3-5 keV x-ray conversion efficiencies of 17.7% and 36.4% for Ar and Ag, respectively, occurred at lower powers between ˜100-150 TW. For identical initial target densities and laser illumination, the Ag L-shell is observed to have ≳10× higher emissivity per ion per deposited laser energy than the Ar K-shell. Although such low-density Ag targets have not yet been demonstrated, simulations of targets fabricated using atomic layer deposition of Ag on silica aerogels (˜20% by atomic fraction) suggest similar performance to atomically pure metal foams and that either fabrication technique may be worth pursuing for an efficient 3-5 keV x-ray source on NIF.

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

Advanced Kr Atomic Structure and Ionization Kinetics for Pinches on ZR

NASA Astrophysics Data System (ADS)

Dasgupta, Arati; Clark, Robert; Giuliani, John; Ouart, Nick; Davis, Jack; Jones, Brent; Ampleford, Dave; Hansen, Stephanie

2011-10-01

High fluence photon sources above 10 keV are a challenge for HED plasmas. This motivates Kr atomic modeling as its K-shell radiation starts at 13 keV. We have developed atomic structure and collisional-radiatve data for the full K-and L-shell and much of the M-shell using the the state-of-the-art Flexible Atomic Code. All relevant atomic collisional and radiative processes that affect ionization balance and are necessary to accurately model the pinch dynamics and the spectroscopic details of the emitted radiation are included in constructing the model. This non-LTE CRE model will be used to generate synthetic spectra for fixed densities and temperatures relevant for Kr gas-puff simulations in ZR. Work supported by DOE/NNSA. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

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

Multi-dimensional construction of a novel active yolk@conductive shell nanofiber web as a self-standing anode for high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Liu, Hao; Chen, Luyi; Liang, Yeru; Fu, Ruowen; Wu, Dingcai

2015-11-01

A novel active yolk@conductive shell nanofiber web with a unique synergistic advantage of various hierarchical nanodimensional objects including the 0D monodisperse SiO2 yolks, the 1D continuous carbon shell and the 3D interconnected non-woven fabric web has been developed by an innovative multi-dimensional construction method, and thus demonstrates excellent electrochemical properties as a self-standing LIB anode.A novel active yolk@conductive shell nanofiber web with a unique synergistic advantage of various hierarchical nanodimensional objects including the 0D monodisperse SiO2 yolks, the 1D continuous carbon shell and the 3D interconnected non-woven fabric web has been developed by an innovative multi-dimensional construction method, and thus demonstrates excellent electrochemical properties as a self-standing LIB anode. Electronic supplementary information (ESI) available: Experimental details and additional information about material characterization. See DOI: 10.1039/c5nr06531c

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.

Optimal Elevation and Configuration of Hanford's Double-Shell Tank Waste Mixer Pumps

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

Onishi, Yasuo; Yokuda, Satoru T.; Majumder, Catherine A.

The objective of this study was to compare the mixing performance of the Lawrence pump, which has injection nozzles at the top, with an alternative pump that has injection nozzles at the bottom, and to determine the optimal elevation for the alternative pump. Sixteen cases were evaluated: two sludge thicknesses at eight levels. A two-step evaluation approach was used: Step 1 to evaluate all 16 cases with the non-rotating mixer pump model and Step 2 to further evaluate four of those cases with the more realistic rotating mixer pump model. The TEMPEST code was used.

New schemes for internally contracted multi-reference configuration interaction

NASA Astrophysics Data System (ADS)

Wang, Yubin; Han, Huixian; Lei, Yibo; Suo, Bingbing; Zhu, Haiyan; Song, Qi; Wen, Zhenyi

2014-10-01

In this work we present a new internally contracted multi-reference configuration interaction (MRCI) scheme by applying the graphical unitary group approach and the hole-particle symmetry. The latter allows a Distinct Row Table (DRT) to split into a number of sub-DRTs in the active space. In the new scheme a contraction is defined as a linear combination of arcs within a sub-DRT, and connected to the head and tail of the DRT through up-steps and down-steps to generate internally contracted configuration functions. The new scheme deals with the closed-shell (hole) orbitals and external orbitals in the same manner and thus greatly simplifies calculations of coupling coefficients and CI matrix elements. As a result, the number of internal orbitals is no longer a bottleneck of MRCI calculations. The validity and efficiency of the new ic-MRCI code are tested by comparing with the corresponding WK code of the MOLPRO package. The energies obtained from the two codes are essentially identical, and the computational efficiencies of the two codes have their own advantages.

How do bendy straws bend? A study of re-configurability of multi-stable corrugated shells

NASA Astrophysics Data System (ADS)

Bende, Nakul; Selden, Sarah; Evans, Arthur; Santangelo, Christian; Hayward, Ryan

Shape programmable systems have evolved to allow for reconfiguration of structures through a variety of mechanisms including swelling, stress-relaxation, and thermal expansion. Particularly, there has been a recent interest in systems that exhibit bi-stability or multi-stability to achieve transformation between two or more pre-programmed states. Here, we study the ubiquitous architecture of corrugated shells, such as drinking straws or bellows, which has been well known for centuries. Some of these structures exhibit almost continuous stability amongst a wide range of reconfigurable shapes, but the underlying mechanisms are not well understood. To understand multi-stability in `bendy-straw' structures, we study the unit bi-conical segment using experiments and finite element modeling to elucidate the key geometrical and mechanical factors responsible for its multi-stability. The simple transformations of a unit segment - a change in length or angle can impart complex re-configurability of a structure containing many of these units. The fundamental understanding provided of this simple multi-stable building block could yield improvements in shape re-configurability for a wide array of applications such as corrugated medical tubing, robotics, and deployable structures. NSF EFRI ODISSEI-1240441.

Impact of multi-resolution analysis of artificial intelligence models inputs on multi-step ahead river flow forecasting

NASA Astrophysics Data System (ADS)

Badrzadeh, Honey; Sarukkalige, Ranjan; Jayawardena, A. W.

2013-12-01

Discrete wavelet transform was applied to decomposed ANN and ANFIS inputs.Novel approach of WNF with subtractive clustering applied for flow forecasting.Forecasting was performed in 1-5 step ahead, using multi-variate inputs.Forecasting accuracy of peak values and longer lead-time significantly improved.

Multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution as a mechanism to generate intermediate band energy levels

NASA Astrophysics Data System (ADS)

Rodríguez-Magdaleno, K. A.; Pérez-Álvarez, R.; Martínez-Orozco, J. C.; Pernas-Salomón, R.

2017-04-01

In this work the generation of an intermediate band of energy levels from multi-shell spherical GaAs /AlxGa1-x As quantum dot shells-size distribution is reported. Within the effective mass approximation the electronic structure of a GaAs spherical quantum-dot surrounded by one, two and three shells is studied in detail using a numerically stable transfer matrix method. We found that a shells-size distribution characterized by continuously wider GaAs domains is a suitable mechanism to generate the intermediate band whose width is also dependent on the Aluminium concentration x. Our results suggest that this effective mechanism can be used for the design of wider intermediate band than reported in other quantum systems with possible solar cells enhanced performance.

Nonspecific Organelle-Targeting Strategy with Core-Shell Nanoparticles of Varied Lipid Components/Ratios.

PubMed

Zhang, Lu; Sun, Jiashu; Wang, Yilian; Wang, Jiancheng; Shi, Xinghua; Hu, Guoqing

2016-07-19

We report a nonspecific organelle-targeting strategy through one-step microfluidic fabrication and screening of a library of surface charge- and lipid components/ratios-varied lipid shell-polymer core nanoparticles. Different from the common strategy relying on the use of organelle-targeted moieties conjugated onto the surface of nanoparticles, here, we program the distribution of hybrid nanoparticles in lysosomes or mitochondria by tuning the lipid components/ratios in shell. Hybrid nanoparticles with 60% 1,2-dioleoyl-3-trimethylammonium-propane (DOTAP) and 20% 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) can intracellularly target mitochondria in both in vitro and in vivo models. While replacing DOPE with the same amount of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), the nanoparticles do not show mitochondrial targeting, indicating an incremental effect of cationic and fusogenic lipids on lysosomal escape which is further studied by molecular dynamics simulations. This work unveils the lipid-regulated subcellular distribution of hybrid nanoparticles in which target moieties and complex synthetic steps are avoided.

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

NASA Astrophysics Data System (ADS)

Strodel, Paul; Tavan, Paul

2002-09-01

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

Theory of resonant x-ray emission spectra in compounds with localized f electrons

NASA Astrophysics Data System (ADS)

Kolorenč, Jindřich

2018-05-01

I discuss a theoretical description of the resonant x-ray emission spectroscopy (RXES) that is based on the Anderson impurity model. The parameters entering the model are determined from material-specific LDA+DMFT calculations. The theory is applicable across the whole f series, not only in the limits of nearly empty (La, Ce) or nearly full (Yb) valence f shell. Its performance is illustrated on the pressure-enhanced intermediate valency of elemental praseodymium. The obtained results are compared to the usual interpretation of RXES, which assumes that the spectrum is a superposition of several signals, each corresponding to one configuration of the 4f shell. The present theory simplifies to such superposition only if nearly all effects of hybridization of the 4f shell with the surrounding states are neglected. Although the assumption of negligible hybridization sounds reasonable for lanthanides, the explicit calculations show that it substantially distorts the analysis of the RXES data.

Quartetting in even-even and odd-odd N=Z nuclei

NASA Astrophysics Data System (ADS)

Sambataro, M.; Sandulescu, N.

2018-02-01

We report on a microscopic description of even-even N = Z nuclei in a formalism of quartets. Quartets are four-body correlated structures characterized by isospin T and angular momentum J. We show that the ground state correlations induced by a realistic shell model interaction can be well accounted for in terms of a restricted set of T = 0 low-J quartets, the J = 0 one playing by far a leading role among them. A conceptually similar description of odd-odd self-conjugate nuclei is given in terms of two distinct families of building blocks, one formed by the same T = 0 quartets employed for the even-even systems and the other by collective pairs with either T = 0 or T = 1. Some applications of this formalism are discussed for nuclei in the sd shell.

The equation-of-motion coupled cluster method for triple electron attached states

NASA Astrophysics Data System (ADS)

Musiał, Monika; Olszówka, Marta; Lyakh, Dmitry I.; Bartlett, Rodney J.

2012-11-01

The initial implementation of the triple electron attachment (TEA) equation-of-motion (EOM) coupled cluster (CC) method is presented, aiming at the description of electronic states with three open shell electrons outside a suitably chosen closed shell vacuum. In particular, such an approach can be used for describing dissociation of chemical bonds predominantly formed by three valence electrons, for example, in LiC and NaC molecules. Both ground and excited states are considered while rigorously maintaining the correct spin value. The preliminary results show a correct asymptotic behavior of the dissociation curves. At the same time, we emphasize that a chemically accurate description will require an extension of the minimal TEA-EOM-CC model introduced here, analogous to those already used in the double ionization potential and double electron attachment methods.

Description of strong M1 transitions between 4^+ states at N=52 within the sdg-IBM-2

NASA Astrophysics Data System (ADS)

Casperson, R. J.; Werner, V.; Heinze, S.

2009-10-01

The interplay between collective and single-particle degrees of freedom for nuclei near the N=50 shell closure have recently been under investigation. In Molybdenum and Ruthenium nuclei, collective symmetric and mixed-symmetric structures have been identified, while in Zirconium, underlying shell-structure plays an enhanced role. The one-phonon 2^+ mixed-symmetry state was identified from its strong M1 transition to the 2^+1 state. Similar transitions were observed between 4^+ states in ^94Mo and ^92Zr, and shell model calculations indicate that hexadecapole excitations play a role. These phenomena will be investigated within the sdg-Interacting Boson Model-2 in order to gain a better understanding about the structure of the states involved, and to which extent the hexadecapole degree of freedom is important at relatively low energies. First calculations within this model, using an F-spin conserving Hamiltonian to disentangle symmetric and mixed- symmetric structures, will be presented and compared to data.

Similarity-transformed chiral NN + 3N interactions for the ab initio description of 12C and 16O.

PubMed

Roth, Robert; Langhammer, Joachim; Calci, Angelo; Binder, Sven; Navrátil, Petr

2011-08-12

We present first ab initio no-core shell model (NCSM) calculations using similarity renormalization group (SRG) transformed chiral two-nucleon (NN) plus three-nucleon (3N) interactions for nuclei throughout the p-shell, particularly (12)C and (16)O. By introducing an adaptive importance truncation for the NCSM model space and an efficient JT-coupling scheme for the 3N matrix elements, we are able to surpass previous NCSM studies including 3N interactions. We present ground and excited states in (12)C and (16)O for model spaces up to N(max) = 12 including full 3N interactions. We analyze the contributions of induced and initial 3N interactions and probe induced 4N terms through the sensitivity of the energies on the SRG flow parameter. Unlike for light p-shell nuclei, SRG-induced 4N contributions originating from the long-range two-pion terms of the chiral 3N interaction are sizable in (12)C and (16)O.

HI emission from the red giant Y CVn with the VLA and FAST

NASA Astrophysics Data System (ADS)

Hoai, Do T.; Nhung, Pham T.; Matthews, Lynn D.; Gérard, Eric; Le Bertre, Thibaut

2017-07-01

Imaging studies with the Very Large Array (VLA) have revealed HI emission associated with the extended circumstellar shells of red giants. We analyze the spectral map obtained on Y CVn, a J-type carbon star on the Asymptotic Giant Branch. The HI line profiles can be interpreted with a model of a detached shell resulting from the interaction of a stellar outflow with the local interstellar medium. We reproduce the spectral map by introducing a distortion along a direction corresponding to the star’s motion in space. We then use this fitting to simulate observations expected from the Five-hundred-meter Aperture Spherical radio Telescope (FAST), and discuss its potential for improving our description of the outer regions of circumstellar shells.

Integration of topological modification within the modeling of multi-physics systems: Application to a Pogo-stick

NASA Astrophysics Data System (ADS)

Abdeljabbar Kharrat, Nourhene; Plateaux, Régis; Miladi Chaabane, Mariem; Choley, Jean-Yves; Karra, Chafik; Haddar, Mohamed

2018-05-01

The present work tackles the modeling of multi-physics systems applying a topological approach while proceeding with a new methodology using a topological modification to the structure of systems. Then the comparison with the Magos' methodology is made. Their common ground is the use of connectivity within systems. The comparison and analysis of the different types of modeling show the importance of the topological methodology through the integration of the topological modification to the topological structure of a multi-physics system. In order to validate this methodology, the case of Pogo-stick is studied. The first step consists in generating a topological graph of the system. Then the connectivity step takes into account the contact with the ground. During the last step of this research; the MGS language (Modeling of General System) is used to model the system through equations. Finally, the results are compared to those obtained by MODELICA. Therefore, this proposed methodology may be generalized to model multi-physics systems that can be considered as a set of local elements.

Process for Making Ceramic Mold

NASA Technical Reports Server (NTRS)

Buck, Gregory M. (Inventor); Vasquez, Peter (Inventor)

2001-01-01

An improved process for slip casting molds that can be more economically automated and that also exhibits greater dimensional stability is disclosed. The process involves subjecting an investment pattern, preferably made from wax, to successive cycles of wet-dipping in a slurry of colloidal, silica-based binder and dry powder-coating, or stuccoing with plaster of Paris or calcium sulfate mixtures to produce a multi-layer shell over the pattern. The invention as claimed entails applying a primary and a secondary coating to the investment pattern. At least two wet-dipping on in a primary slurry and dry-stuccoing cycles provide the primary coating, and an additional two wet-dippings and dry-stuccoing cycles provide the secondary, or back-up, coating. The primary and secondary coatings produce a multi-layered shell pattern. The multi-layered shell pattern is placed in a furnace first to cure and harden, and then to vaporize the investment pattern, leaving a detailed, high precision shell mold.

Nanowebs and nanocables of silicon carbide

NASA Astrophysics Data System (ADS)

Shim, Hyun Woo; Huang, Hanchen

2007-08-01

This paper presents two novel hierarchical structures of SiC-SiO2 core-shell nanowires: (a) nanocables in the form of multi-core and single shell and (b) nanowebs in the form of intersecting nanowires and nanocables, augmented by variable amounts of SiO2 membranes. The two structures are controllable through variations of substrate temperature and source chemistry. The hierarchical nanostructures, together with the controllability, may offer superb mechanical properties in composite applications. Finally, the authors propose a model of nanowebs and nanocables formation, as a result of nanowires intersection and alignment.

Large-scale configuration interaction description of the structure of nuclei around 100Sn and 208Pb

NASA Astrophysics Data System (ADS)

Qi, Chong

2016-08-01

In this contribution I would like to discuss briefly the recent developments of the nuclear configuration interaction shell model approach. As examples, we apply the model to calculate the structure and decay properties of low-lying states in neutron-deficient nuclei around 100Sn and 208Pb that are of great experimental and theoretical interests.

Interplay between proton-neutron pairing and deformation in self-conjugated medium mass nuclei

NASA Astrophysics Data System (ADS)

Gambacurta, Danilo; Lacroix, Denis

2016-05-01

We employ a model combining self-consistent mean-field and shell model techniques to study the competition between particle-like and proton-neutron pairing correlations in fp-shell even-even self-conjugate nuclei. Deformation effects are realistically and microscopically described. The resulting approach can give a precise description of pairing correlations and eventually treat the coexistence of different condensate formed of pairs with different total spin/ isospin. The standard BCS calculations are systematically compared with approaches including correlation effects beyond the independent quasi-particle picture. The competition between proton-neutron correlations in the isoscalar and isovector channels is also analyzed, as well as their dependence on the deformation properties.

On the symmetries of the 12C nucleus

NASA Astrophysics Data System (ADS)

Cseh, J.; Trencsényi, R.

The consequences of some symmetries of the three-alpha system are discussed. In particular, the recent description of the low-energy spectrum of the 12C nucleus in terms of the algebraic cluster model (ACM) is compared to that of the multichannel dynamical symmetry (MUSY), which is the intersection of the shell and cluster models. The previous one applies interactions of a D3h geometric symmetry [D. J. Marin-Lambarri et al., Phys. Rev. Lett. 113 (2014) 012502], while the latter one has a U(3) dynamical symmetry. The available data is in line with both descriptions.

Characterization of a hybrid target multi-keV x-ray source by a multi-parameter statistical analysis of titanium K-shell emission

DOE PAGES

Primout, M.; Babonneau, D.; Jacquet, L.; ...

2015-11-10

We studied the titanium K-shell emission spectra from multi-keV x-ray source experiments with hybrid targets on the OMEGA laser facility. Using the collisional-radiative TRANSPEC code, dedicated to K-shell spectroscopy, we reproduced the main features of the detailed spectra measured with the time-resolved MSPEC spectrometer. We developed a general method to infer the N e, T e and T i characteristics of the target plasma from the spectral analysis (ratio of integrated Lyman-α to Helium-α in-band emission and the peak amplitude of individual line ratios) of the multi-keV x-ray emission. Finally, these thermodynamic conditions are compared to those calculated independently bymore » the radiation-hydrodynamics transport code FCI2.« less

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.

A Comparison of Computational Cognitive Models: Agent-Based Systems Versus Rule-Based Architectures

DTIC Science & Technology

2003-03-01

Java™ How To Program , Prentice Hall, 1999. Friedman-Hill, E., Jess, The Expert System Shell for the Java Platform, Sandia National Laboratories, 2001...transition from the descriptive NDM theory to a computational model raises several questions: Who is an experienced decision maker? How do you model the...progression from being a novice to an experienced decision maker? How does the model account for previous experiences? Are there situations where

Target electron ionization in Li2+-Li collisions: A multi-electron perspective

NASA Astrophysics Data System (ADS)

Śpiewanowski, M. D.; Gulyás, L.; Horbatsch, M.; Kirchner, T.

2015-05-01

The recent development of the magneto-optical trap reaction-microscope has opened a new chapter for detailed investigations of charged-particle collisions from alkali atoms. It was shown that energy-differential cross sections for ionization from the outer-shell in O8+-Li collisions at 1500 keV/amu can be readily explained with the single-active-electron approximation. Understanding of K-shell ionization, however, requires incorporating many-electron effects. An ionization-excitation process was found to play an important role. We present a theoretical study of target electron removal in Li2+-Li collisions at 2290 keV/amu. The results indicate that in outer-shell ionization a single-electron process plays the dominant part. However, the K-shell ionization results are more difficult to interpret. On one hand, we find only weak contributions from multi-electron processes. On the other hand, a large discrepancy between experimental and single-particle theoretical results indicate that multi-electron processes involving ionization from the outer shell may be important for a complete understanding of the process. Work supported by NSERC, Canada and the Hungarian Scientific Research Fund.

Stakeholder conceptualisation of multi-level HIV and AIDS determinants in a Black epicentre.

PubMed

Brawner, Bridgette M; Reason, Janaiya L; Hanlon, Kelsey; Guthrie, Barbara; Schensul, Jean J

2017-09-01

HIV has reached epidemic proportions among African Americans in the USA but certain urban contexts appear to experience a disproportionate disease burden. Geographic information systems mapping in Philadelphia indicates increased HIV incidence and prevalence in predominantly Black census tracts, with major differences across adjacent communities. What factors shape these geographic HIV disparities among Black Philadelphians? This descriptive study was designed to refine and validate a conceptual model developed to better understand multi-level determinants of HIV-related risk among Black Philadelphians. We used an expanded ecological approach to elicit reflective perceptions from administrators, direct service providers and community members about individual, social and structural factors that interact to protect against or increase the risk for acquiring HIV within their community. Gender equity, social capital and positive cultural mores (e.g., monogamy, abstinence) were seen as the main protective factors. Historical negative contributory influences of racial residential segregation, poverty and incarceration were among the most salient risk factors. This study was a critical next step toward initiating theory-based, multi-level community-based HIV prevention initiatives.

Fabrication of SiO2@ZrO2@Y2O3:Eu3+ core-multi-shell structured phosphor.

PubMed

Gao, Xuan; He, Diping; Jiao, Huan; Chen, Juan; Meng, Xin

2011-08-01

ZrO2 interface was designed to block the reaction between SiO2 and Y2O3 in SiO2@Y2O3:Eu coreshell structure phosphor. SiO2@ZrO2@Y2O3:Eu core-multi-shell phosphors were successfully synthesized by combing an LBL method with a Sol-gel process. Based on electron microscopy, X-ray diffraction, and spectroscopy experiments, compelling evidence for the formation of the Y2O3:Eu outer shell on ZrO2 were presented. The presence of ZrO2 layer on SiO2 core can block the reaction of SiO2 core and Y2O3 shell effectively. By this kind of structure, the reaction temperature of the SiO2 core and Y2O3 shell in the SiO2@Y2O3:Eu core-shell structure phosphor can be increased about 200-300 degrees C and the luminescent intensity of this structure phosphor can be improved obviously. Under the excitation of ultraviolet (254 nm), the Eu3+ ion mainly shows its characteristic red (611 nm, 5D0-7F2) emissions in the core-multi-shell particles from Y2O3:Eu3+ shells. The emission intensity of Eu3+ ions can be tuned by the annealing temperatures, the number of coating times, and the thickness of ZrO2 interface, respectively.

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

PubMed

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

2012-01-01

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

Generating description with multi-feature fusion and saliency maps of image

NASA Astrophysics Data System (ADS)

Liu, Lisha; Ding, Yuxuan; Tian, Chunna; Yuan, Bo

2018-04-01

Generating description for an image can be regard as visual understanding. It is across artificial intelligence, machine learning, natural language processing and many other areas. In this paper, we present a model that generates description for images based on RNN (recurrent neural network) with object attention and multi-feature of images. The deep recurrent neural networks have excellent performance in machine translation, so we use it to generate natural sentence description for images. The proposed method uses single CNN (convolution neural network) that is trained on ImageNet to extract image features. But we think it can not adequately contain the content in images, it may only focus on the object area of image. So we add scene information to image feature using CNN which is trained on Places205. Experiments show that model with multi-feature extracted by two CNNs perform better than which with a single feature. In addition, we make saliency weights on images to emphasize the salient objects in images. We evaluate our model on MSCOCO based on public metrics, and the results show that our model performs better than several state-of-the-art methods.

Image Description with Local Patterns: An Application to Face Recognition

NASA Astrophysics Data System (ADS)

Zhou, Wei; Ahrary, Alireza; Kamata, Sei-Ichiro

In this paper, we propose a novel approach for presenting the local features of digital image using 1D Local Patterns by Multi-Scans (1DLPMS). We also consider the extentions and simplifications of the proposed approach into facial images analysis. The proposed approach consists of three steps. At the first step, the gray values of pixels in image are represented as a vector giving the local neighborhood intensity distrubutions of the pixels. Then, multi-scans are applied to capture different spatial information on the image with advantage of less computation than other traditional ways, such as Local Binary Patterns (LBP). The second step is encoding the local features based on different encoding rules using 1D local patterns. This transformation is expected to be less sensitive to illumination variations besides preserving the appearance of images embedded in the original gray scale. At the final step, Grouped 1D Local Patterns by Multi-Scans (G1DLPMS) is applied to make the proposed approach computationally simpler and easy to extend. Next, we further formulate boosted algorithm to extract the most discriminant local features. The evaluated results demonstrate that the proposed approach outperforms the conventional approaches in terms of accuracy in applications of face recognition, gender estimation and facial expression.

Emergent properties of nuclei from ab initio coupled-cluster calculations

NASA Astrophysics Data System (ADS)

Hagen, G.; Hjorth-Jensen, M.; Jansen, G. R.; Papenbrock, T.

2016-06-01

Emergent properties such as nuclear saturation and deformation, and the effects on shell structure due to the proximity of the scattering continuum and particle decay channels are fascinating phenomena in atomic nuclei. In recent years, ab initio approaches to nuclei have taken the first steps towards tackling the computational challenge of describing these phenomena from Hamiltonians with microscopic degrees of freedom. This endeavor is now possible due to ideas from effective field theories, novel optimization strategies for nuclear interactions, ab initio methods exhibiting a soft scaling with mass number, and ever-increasing computational power. This paper reviews some of the recent accomplishments. We also present new results. The recently optimized chiral interaction NNLO{}{{sat}} is shown to provide an accurate description of both charge radii and binding energies in selected light- and medium-mass nuclei up to 56Ni. We derive an efficient scheme for including continuum effects in coupled-cluster computations of nuclei based on chiral nucleon-nucleon and three-nucleon forces, and present new results for unbound states in the neutron-rich isotopes of oxygen and calcium. The coupling to the continuum impacts the energies of the {J}π =1/{2}-,3/{2}-,7/{2}-,3/{2}+ states in {}{17,23,25}O, and—contrary to naive shell-model expectations—the level ordering of the {J}π =3/{2}+,5/{2}+,9/{2}+ states in {}{53,55,61}Ca. ).

Magnetization of the Ising model on the Sierpinski pastry-shell

NASA Astrophysics Data System (ADS)

Chame, Anna; Branco, N. S.

1992-02-01

Using a real-space renormalization group approach, we calculate the approximate magnetization in the Ising model on the Sierpinski Pastry-shell. We consider, as an approximation, only two regions of the fractal: the internal surfaces, or walls (sites on the border of eliminated areas), with coupling constants JS, and the bulk (all other sites), with coupling constants Jv. We obtain the mean magnetization of the two regions as a function of temperature, for different values of α= JS/ JV and different geometric parameters b and l. Curves present a step-like behavior for some values of b and l, as well as different universality classes for the bulk transition.

Multi-step prediction for influenza outbreak by an adjusted long short-term memory.

PubMed

Zhang, J; Nawata, K

2018-05-01

Influenza results in approximately 3-5 million annual cases of severe illness and 250 000-500 000 deaths. We urgently need an accurate multi-step-ahead time-series forecasting model to help hospitals to perform dynamical assignments of beds to influenza patients for the annually varied influenza season, and aid pharmaceutical companies to formulate a flexible plan of manufacturing vaccine for the yearly different influenza vaccine. In this study, we utilised four different multi-step prediction algorithms in the long short-term memory (LSTM). The result showed that implementing multiple single-output prediction in a six-layer LSTM structure achieved the best accuracy. The mean absolute percentage errors from two- to 13-step-ahead prediction for the US influenza-like illness rates were all <15%, averagely 12.930%. To the best of our knowledge, it is the first time that LSTM has been applied and refined to perform multi-step-ahead prediction for influenza outbreaks. Hopefully, this modelling methodology can be applied in other countries and therefore help prevent and control influenza worldwide.

On the uniqueness of the constrained space orbital variation (CSOV) technique

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.

1986-01-01

Several CSOV analyses are performed for the 1Sigma(+) state of NiCO, and it is shown that the importance of the CO sigma donation, Ni pi back donation, and interunit polarizations are virtually independent of the order of the CSOV steps, provided that the open-shell 3d sigma and 4s Ni orbitals are orthogonalized to the CO. This order of orthogonalization is consistent with the polarization of the Ni observed in the unconstrained SCF wavefunction. If instead the CO is orthogonalized to the open-shell Ni orbitals, the frozen orbital repulsion and entire CSOV analysis becomes unphysical. A comparison of the SCF and CAS SCF descriptions for the NiCO 1Sigma(+) state shows the importance of the s to d promotion and sd hybridization in reducing the repulsion and increasing the Ni to CO pi bonding. For LiF, CSOV analyses starting from both the neutral and ionic asymptotes show the bonding to be predominantly Li(+) - F(-). These examples show the uniqueness of the CSOV decomposition.

Dynamics of a suspension of interacting yolk-shell particles

DOE PAGES

Sánchez Díaz, L. E.; Cortes-Morales, E. C.; Li, X.; ...

2014-12-01

In this work we study the self-diusion properties of a liquid of hollow spherical particles (shells) bearing a smaller solid sphere in their interior (yolks). We model this system using purely repulsive hard-body interactions between all (shell and yolk) particles, but assume the presence of a background ideal solvent such that all the particles execute free Brownian motion between collisions, characterized by short-time self-diusion coecients D0 s for the shells and D0 y for the yolks. Using a softened version of these interparticle potentials we perform Brownian dynamics simulations to determine the mean squared displacement and intermediate scattering function ofmore » the yolk-shell complex. These results can be understood in terms of a set of eective Langevin equations for the N interacting shell particles, pre-averaged over the yolks' degrees of freedom, from which an approximate self-consistent description of the simulated self-diusion properties can be derived. Here we compare the theoretical and simulated results between them, and with the results for the same system in the absence of yolks. We nd that the yolks, which have no eect on the shell-shell static structure, in uence the dynamic properties in a predictable manner, fully captured by the theory.« 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

Thermodynamic description of cellulose chain collapse using coarse grain modeling

NASA Astrophysics Data System (ADS)

Das, Ritankar; Chu, Jhih-Wei

2012-11-01

Biomass contains abundant amounts of cellulose as crystalline microfibrils. A limiting step to using cellulose as an alternative energy source, however, is the hydrolysis of the biomass and subsequent transformation into fuels. Cellulose is insoluble in most solvents including organic solvents and water, but it is soluble in some ionic liquids like BMIM-Cl. This project aims to find alternative solvents that are less expensive and are more environmentally benign than the ionic liquids. All-atom molecular dynamics simulations were performed on dissociated glucan chains separated by multiple (4-5) solvation shells, in the presence of several novel solvents and solvent mixtures. The solubility of the chains in each solvent was indicated by contacts calculations after the equilibration of the molecular dynamics. It was discovered that pyridine and imidazole acted as the best solvents because their aromatic electronic structure was able to effectively disrupt the inter-sheet interactions among the glucan chains in the axial direction, and because perturbation of the solvent interactions in the presence of glucan chains was minimal.

Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.

PubMed

Calhoun, Jennifer R; Liu, Weixia; Spiegel, Katrin; Dal Peraro, Matteo; Klein, Michael L; Valentine, Kathleen G; Wand, A Joshua; DeGrado, William F

2008-02-01

We report the solution NMR structure of a designed dimetal-binding protein, di-Zn(II) DFsc, along with a secondary refinement step employing molecular dynamics techniques. Calculation of the initial NMR structural ensemble by standard methods led to distortions in the metal-ligand geometries at the active site. Unrestrained molecular dynamics using a nonbonded force field for the metal shell, followed by quantum mechanical/molecular mechanical dynamics of DFsc, were used to relax local frustrations at the dimetal site that were apparent in the initial NMR structure and provide a more realistic description of the structure. The MD model is consistent with NMR restraints, and in good agreement with the structural and functional properties expected for DF proteins. This work demonstrates that NMR structures of metalloproteins can be further refined using classical and first-principles molecular dynamics methods in the presence of explicit solvent to provide otherwise unavailable insight into the geometry of the metal center.

A facile one-step route to synthesize cage-like silica hollow spheres loaded with superparamagnetic iron oxide nanoparticles in their shells.

PubMed

Li, Ling; Choo, Eugene Shi Guang; Tang, Xiaosheng; Ding, Jun; Xue, Junmin

2009-02-28

Cage-like silica hollow spheres loaded with superparamagnetic iron oxide nanoparticles incorporated in their macroporous shells are synthesized in a facile manner through a one-step oil-in-diethylene glycol (DEG) microemulsion route.

Numerical study of the direct pressure effect of acoustic waves in planar premixed flames

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

Schmidt, H.; Jimenez, C.

Recently the unsteady response of 1-D premixed flames to acoustic pressure waves for the range of frequencies below and above the inverse of the flame transit time was investigated experimentally using OH chemiluminescence Wangher (2008). They compared the frequency dependence of the measured response to the prediction of an analytical model proposed by Clavin et al. (1990), derived from the standard flame model (one-step Arrhenius kinetics) and to a similar model proposed by McIntosh (1991). Discrepancies between the experimental results and the model led to the conclusion that the standard model does not provide an adequate description of the unsteadymore » response of real flames and that it is necessary to investigate more realistic chemical models. Here we follow exactly this suggestion and perform numerical studies of the response of lean methane flames using different reaction mechanisms. We find that the global flame response obtained with both detailed chemistry (GRI3.0) and a reduced multi-step model by Peters (1996) lies slightly above the predictions of the analytical model, but is close to experimental results. We additionally used an irreversible one-step Arrhenius reaction model and show the effect of the pressure dependence of the global reaction rate in the flame response. Our results suggest first that the current models have to be extended to capture the amplitude and phase results of the detailed mechanisms, and second that the correlation between the heat release and the measured OH* chemiluminescence should be studied deeper. (author)« less

Effect Of Long-Period Earthquake Ground Motions On Nonlinear Vibration Of Shells With Variable Thickness

NASA Astrophysics Data System (ADS)

Abdikarimov, R.; Bykovtsev, A.; Khodzhaev, D.; Research Team Of Geotechnical; Structural Engineers

2010-12-01

Long-period earthquake ground motions (LPEGM) with multiple oscillations have become a crucial consideration in seismic hazard assessment because of the rapid increase of tall buildings and special structures (SP).Usually, SP refers to innovative long-span structural systems. More specifically, they include many types of structures, such as: geodesic showground; folded plates; and thin shells. As continuation of previous research (Bykovtsev, Abdikarimov, Khodzhaev 2003, 2010) analysis of nonlinear vibrations (NV) and dynamic stability of SP simulated as shells with variable rigidity in geometrically nonlinear statement will be presented for two cases. The first case will represent NV example of a viscoelastic orthotropic cylindrical shell with radius R, length L and variable thickness h=h(x,y). The second case will be NV example of a viscoelastic shell with double curvature, variable thickness, and bearing the concentrated masses. In both cases we count, that the SP will be operates under seismic load generated by LPEGM with multiple oscillations. For different seismic loads simulations, Bykovtsev’s Model and methodology was used for generating LPEGM time history. The methodology for synthesizing LPEGM from fault with multiple segmentations was developed by Bykovtev (1978-2010) and based on 3D-analytical solutions by Bykovtsev-Kramarovskii (1987&1989) constructed for faults with multiple segmentations. This model is based on a kinematics description of displacement function on the fault and included in consideration of all possible combinations of 3 components of vector displacement (two slip vectors and one tension component). The opportunities to take into consideration fault segmentations with both shear and tension vector components of displacement on the fault plane provide more accurate LPEGM evaluations. Radiation patterns and directivity effects were included in the model and more physically realistic results for simulated LPEGM were considered. The system of nonlinear integro-differential equations (NIDE) with variable coefficients concerning a deflection w=w(x,y) and displacements u=u(x,y), v=v(x,y) was used for construction mathematical model of the problem. The Kichhoff-Love hypothesis was used as basis for description physical and geometrical relations and construction of a discrete model of nonlinear problems dynamic theory of viscoelasticity. The most effective variational Bubnov-Galerkin method was used for obtaining Volterra type system of NIDE. The integration of the obtained equations system was carried out with the help of the numerical method based on quadrature formula. The computer codes on algorithmic language Delphi were created for investigation amplitude-time, deflected mode and torque-time characteristic of vibrations of the viscoelastic shells. For real composite materials at wide ranges of change of physical-mechanical and geometrical parameters the behavior of shells were investigated. Calculations were carried out at different laws of change of thickness. Results will be presented as graphs and tables.

Semiclassical approaches to nuclear dynamics

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

Magner, A. G., E-mail: magner@kinr.kiev.ua; Gorpinchenko, D. V.; Bartel, J.

The extended Gutzwiller trajectory approach is presented for the semiclassical description of nuclear collective dynamics, in line with the main topics of the fruitful activity of V.G. Solovjov. Within the Fermi-liquid droplet model, the leptodermous effective surface approximation was applied to calculations of energies, sum rules, and transition densities for the neutron–proton asymmetry of the isovector giant-dipole resonance and found to be in good agreement with the experimental data. By using the Strutinsky shell correction method, the semiclassical collective transport coefficients, such as nuclear inertia, friction, stiffness, and moments of inertia, can be derived beyond the quantum perturbation approximation ofmore » the response function theory and the cranking model. The averaged particle-number dependences of the low-lying collective vibrational states are described in good agreement with the basic experimental data, mainly due to the enhancement of the collective inertia as compared to its irrotational flow value. Shell components of the moment of inertia are derived in terms of the periodic-orbit free-energy shell corrections. A good agreement between the semiclassical extended Thomas–Fermi moments of inertia with shell corrections and the quantum results is obtained for different nuclear deformations and particle numbers. Shell effects are shown to be exponentially dampted out with increasing temperature in all the transport coefficients.« less

Covalent immobilization of molecularly imprinted polymer nanoparticles using an epoxy silane.

PubMed

Kamra, Tripta; Chaudhary, Shilpi; Xu, Changgang; Johansson, Niclas; Montelius, Lars; Schnadt, Joachim; Ye, Lei

2015-05-01

Molecularly imprinted polymers (MIPs) can be used as antibody mimics to develop robust chemical sensors. One challenging problem in using MIPs for sensor development is the lack of reliable conjugation chemistry that allows MIPs to be fixed on transducer surface. In this work, we study the use of epoxy silane to immobilize MIP nanoparticles on model transducer surfaces without impairing the function of the immobilized nanoparticles. The MIP nanoparticles with a core-shell structure have selective molecular binding sites in the core and multiple amino groups in the shell. The model transducer surface is functionalized with a self-assembled monolayer of epoxy silane, which reacts with the core-shell MIP particles to enable straightforward immobilization. The whole process is characterized by studying the treated surfaces after each preparation step using atomic force microscopy, scanning electron microscopy, fluorescence microscopy, contact angle measurements and X-ray photoelectron spectroscopy. The microscopy results show that the MIP particles are immobilized uniformly on surface. The photoelectron spectroscopy results further confirm the action of each functionalization step. The molecular selectivity of the MIP-functionalized surface is verified by radioligand binding analysis. The particle immobilization approach described here has a general applicability for constructing selective chemical sensors in different formats. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

Multi-phase-field modeling of anisotropic crack propagation for polycrystalline materials

NASA Astrophysics Data System (ADS)

Nguyen, Thanh-Tung; Réthoré, Julien; Yvonnet, Julien; Baietto, Marie-Christine

2017-08-01

A new multi-phase-field method is developed for modeling the fracture of polycrystals at the microstructural level. Inter and transgranular cracking, as well as anisotropic effects of both elasticity and preferential cleavage directions within each randomly oriented crystal are taken into account. For this purpose, the proposed phase field formulation includes: (a) a smeared description of grain boundaries as cohesive zones avoiding defining an additional phase for grains; (b) an anisotropic phase field model; (c) a multi-phase field formulation where each preferential cleavage direction is associated with a damage (phase field) variable. The obtained framework allows modeling interactions and competition between grains and grain boundary cracks, as well as their effects on the effective response of the material. The proposed model is illustrated through several numerical examples involving a full description of complex crack initiation and propagation within 2D and 3D models of polycrystals.

Simulation study of 3–5 keV x-ray conversion efficiency from Ar K-shell vs. Ag L-shell targets on the National Ignition Facility laser

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

Kemp, G. E., E-mail: kemp10@llnl.gov; Colvin, J. D.; Fournier, K. B.

2015-05-15

Tailored, high-flux, multi-keV x-ray sources are desirable for studying x-ray interactions with matter for various civilian, space and military applications. For this study, we focus on designing an efficient laser-driven non-local thermodynamic equilibrium 3–5 keV x-ray source from photon-energy-matched Ar K-shell and Ag L-shell targets at sub-critical densities (∼n{sub c}/10) to ensure supersonic, volumetric laser heating with minimal losses to kinetic energy, thermal x rays and laser-plasma instabilities. Using HYDRA, a multi-dimensional, arbitrary Lagrangian-Eulerian, radiation-hydrodynamics code, we performed a parameter study by varying initial target density and laser parameters for each material using conditions readily achievable on the National Ignition Facilitymore » (NIF) laser. We employ a model, benchmarked against Kr data collected on the NIF, that uses flux-limited Lee-More thermal conductivity and multi-group implicit Monte-Carlo photonics with non-local thermodynamic equilibrium, detailed super-configuration accounting opacities from CRETIN, an atomic-kinetics code. While the highest power laser configurations produced the largest x-ray yields, we report that the peak simulated laser to 3–5 keV x-ray conversion efficiencies of 17.7% and 36.4% for Ar and Ag, respectively, occurred at lower powers between ∼100–150 TW. For identical initial target densities and laser illumination, the Ag L-shell is observed to have ≳10× higher emissivity per ion per deposited laser energy than the Ar K-shell. Although such low-density Ag targets have not yet been demonstrated, simulations of targets fabricated using atomic layer deposition of Ag on silica aerogels (∼20% by atomic fraction) suggest similar performance to atomically pure metal foams and that either fabrication technique may be worth pursuing for an efficient 3–5 keV x-ray source on NIF.« less

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

NASA Technical Reports Server (NTRS)

Graf, Wiley E.

1991-01-01

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

A job analysis design for the rail industry : description and model analysis of the job of freight conductor.

DOT National Transportation Integrated Search

2013-10-01

This document provides a step-by-step description of the design and execution of a strategic job analysis, using the position of Freight Conductor as an example. This document was created to be useful for many different needs, and can be used as an e...

Rationally Designed Graphene-Nanotube 3D Architectures with a Seamless Nodal Junction for Efficient Energy Conversion and Storage

DTIC Science & Technology

2015-09-04

aluminum wire into an anodized aluminum oxide ( AAO ) shell (step 1, Fig. 1, A and B). The thickness of the resulting AAO shell can be...regulated by changing the anodizing time. Thus, a prepared wire with aluminum core and AAO shell ( AAO wire) was then used as a template for a single-step...showing the synthesis and microstructures of a 3D graphene-RACNT fiber. (A) Aluminum wire. (B) Surface anodized aluminum wire ( AAO wire). (C)

Facile one-step synthesis of Ag@Fe3O4 core-shell nanospheres for reproducible SERS substrates

NASA Astrophysics Data System (ADS)

Sun, Lijuan; He, Jiang; An, Songsong; Zhang, Junwei; Ren, Dong

2013-08-01

A facile approach has been developed to synthesize Ag@Fe3O4 core-shell nanospheres, in which the Ag nanoparticle core was well wrapped by a permeable Fe3O4 shell. An in situ reduction of AgNO3 and Fe(NO3)3 was the basis of this one-step method with ethylene glycol as the reducing agent. The as-obtained Ag@Fe3O4 nanospheres were a highly efficient surface-enhanced Raman scattering (SERS) substrate; high reproducibility, stability, and reusability were obtained by employing 4-aminothiophenol (4-ATP) and rhodamine 6G (R6G) as the Raman probe molecules. It was revealed that the SERS signals of 4-ATP and R6G on the Ag@Fe3O4 nanospheres were much stronger than those on the pure Ag nanoparticles, demonstrating that the magnetic enrichment procedures can improve SERS detection sensitivity efficiently. A highly efficient and recyclable SERS substrate was produced by the new model system that has potential applications in chemical and biomolecular assays.

Evaluation of TOPLATS on three Mediterranean catchments

NASA Astrophysics Data System (ADS)

Loizu, Javier; Álvarez-Mozos, Jesús; Casalí, Javier; Goñi, Mikel

2016-08-01

Physically based hydrological models are complex tools that provide a complete description of the different processes occurring on a catchment. The TOPMODEL-based Land-Atmosphere Transfer Scheme (TOPLATS) simulates water and energy balances at different time steps, in both lumped and distributed modes. In order to gain insight on the behavior of TOPLATS and its applicability in different conditions a detailed evaluation needs to be carried out. This study aimed to develop a complete evaluation of TOPLATS including: (1) a detailed review of previous research works using this model; (2) a sensitivity analysis (SA) of the model with two contrasted methods (Morris and Sobol) of different complexity; (3) a 4-step calibration strategy based on a multi-start Powell optimization algorithm; and (4) an analysis of the influence of simulation time step (hourly vs. daily). The model was applied on three catchments of varying size (La Tejeria, Cidacos and Arga), located in Navarre (Northern Spain), and characterized by different levels of Mediterranean climate influence. Both Morris and Sobol methods showed very similar results that identified Brooks-Corey Pore Size distribution Index (B), Bubbling pressure (ψc) and Hydraulic conductivity decay (f) as the three overall most influential parameters in TOPLATS. After calibration and validation, adequate streamflow simulations were obtained in the two wettest catchments, but the driest (Cidacos) gave poor results in validation, due to the large climatic variability between calibration and validation periods. To overcome this issue, an alternative random and discontinuous method of cal/val period selection was implemented, improving model results.

Approximate symmetries in atomic nuclei from a large-scale shell-model perspective

NASA Astrophysics Data System (ADS)

Launey, K. D.; Draayer, J. P.; Dytrych, T.; Sun, G.-H.; Dong, S.-H.

2015-05-01

In this paper, we review recent developments that aim to achieve further understanding of the structure of atomic nuclei, by capitalizing on exact symmetries as well as approximate symmetries found to dominate low-lying nuclear states. The findings confirm the essential role played by the Sp(3, ℝ) symplectic symmetry to inform the interaction and the relevant model spaces in nuclear modeling. The significance of the Sp(3, ℝ) symmetry for a description of a quantum system of strongly interacting particles naturally emerges from the physical relevance of its generators, which directly relate to particle momentum and position coordinates, and represent important observables, such as, the many-particle kinetic energy, the monopole operator, the quadrupole moment and the angular momentum. We show that it is imperative that shell-model spaces be expanded well beyond the current limits to accommodate particle excitations that appear critical to enhanced collectivity in heavier systems and to highly-deformed spatial structures, exemplified by the second 0+ state in 12C (the challenging Hoyle state) and 8Be. While such states are presently inaccessible by large-scale no-core shell models, symmetry-based considerations are found to be essential.

75 FR 37423 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-29

...-1484-000. Applicants: Shell Energy North America (US), L.P. Description: Shell Energy North America (US), L.P. submits tariff filing per 35.12: Shell Energy North America (US), L.P. Market-Based Rate Tariff... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission Combined Notice of Filings 1 June 21...

The crack problem in a reinforced cylindrical shell

NASA Technical Reports Server (NTRS)

Yahsi, O. S.; Erdogan, F.

1986-01-01

In this paper a partially reinforced cylinder containing an axial through crack is considered. The reinforcement is assumed to be fully bonded to the main cylinder. The composite cylinder is thus modelled by a nonhomogeneous shell having a step change in the elastic properties at the z=0 plane, z being the axial coordinate. Using a Reissner type transverse shear theory the problem is reduced to a pair of singular integral equations. In the special case of a crack tip touching the bimaterial interface it is shown that the dominant parts of the kernels of the integral equations associated with both membrane loading and bending of the shell reduce to the generalized Cauchy kernel obtained for the corresponding plane stress case. The integral equations are solved and the stress intensity factors are given for various crack and shell dimensions. A bonded fiberglass reinforcement which may serve as a crack arrestor is used as an example.

The crack problem in a reinforced cylindrical shell

NASA Technical Reports Server (NTRS)

Yahsi, O. S.; Erdogan, F.

1986-01-01

A partially reinforced cylinder containing an axial through crack is considered. The reinforcement is assumed to be fully bonded to the main cylinder. The composite cylinder is thus modelled by a nonhomogeneous shell having a step change in the elastic properties at the z = 0 plane, z being the axial coordinate. Using a Reissner type transverse shear theory the problem is reduced to a pair of singular integral equations. In the special case of a crack tip touching the bimaterial interface it is shown that the dominant parts of the kernels of the integral equations associated with both membrane loading and bending of the shell reduce to the generalized Cauchy kernel obtained for the corresponding plane stress case. The integral equations are solved and the stress intensity factors are given for various crack and shell dimensions. A bonded fiberglass reinforcement which may serve as a crack arrestor is used as an example.

Combining frozen-density embedding with the conductor-like screening model using Lagrangian techniques for response properties.

PubMed

Schieschke, Nils; Di Remigio, Roberto; Frediani, Luca; Heuser, Johannes; Höfener, Sebastian

2017-07-15

We present the explicit derivation of an approach to the multiscale description of molecules in complex environments that combines frozen-density embedding (FDE) with continuum solvation models, in particular the conductor-like screening model (COSMO). FDE provides an explicit atomistic description of molecule-environment interactions at reduced computational cost, while the outer continuum layer accounts for the effect of long-range isotropic electrostatic interactions. Our treatment is based on a variational Lagrangian framework, enabling rigorous derivations of ground- and excited-state response properties. As an example of the flexibility of the theoretical framework, we derive and discuss FDE + COSMO analytical molecular gradients for excited states within the Tamm-Dancoff approximation (TDA) and for ground states within second-order Møller-Plesset perturbation theory (MP2) and a second-order approximate coupled cluster with singles and doubles (CC2). It is shown how this method can be used to describe vertical electronic excitation (VEE) energies and Stokes shifts for uracil in water and carbostyril in dimethyl sulfoxide (DMSO), respectively. In addition, VEEs for some simplified protein models are computed, illustrating the performance of this method when applied to larger systems. The interaction terms between the FDE subsystem densities and the continuum can influence excitation energies up to 0.3 eV and, thus, cannot be neglected for general applications. We find that the net influence of the continuum in presence of the first FDE shell on the excitation energy amounts to about 0.05 eV for the cases investigated. The present work is an important step toward rigorously derived ab initio multilayer and multiscale modeling approaches. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Disentangling the history of complex multi-phased shell beds based on the analysis of 3D point cloud data

NASA Astrophysics Data System (ADS)

Harzhauser, Mathias; Djuricic, Ana; Mandic, Oleg; Dorninger, Peter; Nothegger, Clemens; Székely, Balázs; Molnár, Gábor; Pfeifer, Norbert

2015-04-01

Shell beds are key features in sedimentary records throughout the Phanerozoic. The interplay between burial rates and population productivity is reflected in distinct degrees of shelliness. Consequently, shell beds may provide informations on various physical processes, which led to the accumulation and preservation of hard parts. Many shell beds pass through a complex history of formation being shaped by more than one factor. In shallow marine settings, the composition of shell beds is often strongly influenced by winnowing, reworking and transport. These processes may cause considerable time averaging and the accumulation of specimens, which have lived thousands of years apart. In the best case, the environment remained stable during that time span and the mixing does not mask the overall composition. A major obstacle for the interpretation of shell beds, however, is the amalgamation of shell beds of several depositional units in a single concentration, as typically for tempestites and tsunamites. Disentangling such mixed assemblages requires deep understanding of the ecological requirements of the taxa involved - which is achievable for geologically young shell beds with living relatives - and a statistic approach to quantify the contribution by the various death assemblages. Furthermore it requires understanding of sedimentary processes potentially involved into their formation. Here we present the first attempt to describe and decipher such a multi-phase shell-bed based on a high resolution digital surface model (1 mm) combined with ortho-photos with a resolution of 0.5 mm per pixel. Documenting the oyster reef requires precisely georeferenced data; owing to high redundancy of the point cloud an accuracy of a few mm was achieved. The shell accumulation covers an area of 400 m2 with thousands of specimens, which were excavated by a three months campaign at Stetten in Lower Austria. Formed in an Early Miocene estuary of the Paratethys Sea it is mainly composed of shells of the giant oyster Crassostrea gryphoides along with numerous other bivalves, gastropods and barnacles. More than 10.000 objects were outlined on the digital surface model and characterized in respect to taxonomy, convex up/down position, left/right shell, orientation, fragmentation and several other features. The outlines and attribute data were stored in a georeferenced ArcGIS database. Already the first analyses and visualizations of the obtained data-sets pointed out different degrees of taxon distribution, composition, and taphonomic grade allowing an identification of at least four discrete ecosystem/depositional phases now amalgamated in a single shell-bed. Based on examples from the present research the presentation will demonstrate enormous potential of high resolution terrestrial laser scanning in paleontology and sedimentology. Representing a pioneering study, lessons have been learned about the benefits as well as the limitations of its application for taphonomic studies. The project is supported by the Austrian Science Fund (FWF P 25883-N29).

Asynchronous adaptive time step in quantitative cellular automata modeling

PubMed Central

Zhu, Hao; Pang, Peter YH; Sun, Yan; Dhar, Pawan

2004-01-01

Background The behaviors of cells in metazoans are context dependent, thus large-scale multi-cellular modeling is often necessary, for which cellular automata are natural candidates. Two related issues are involved in cellular automata based multi-cellular modeling: how to introduce differential equation based quantitative computing to precisely describe cellular activity, and upon it, how to solve the heavy time consumption issue in simulation. Results Based on a modified, language based cellular automata system we extended that allows ordinary differential equations in models, we introduce a method implementing asynchronous adaptive time step in simulation that can considerably improve efficiency yet without a significant sacrifice of accuracy. An average speedup rate of 4–5 is achieved in the given example. Conclusions Strategies for reducing time consumption in simulation are indispensable for large-scale, quantitative multi-cellular models, because even a small 100 × 100 × 100 tissue slab contains one million cells. Distributed and adaptive time step is a practical solution in cellular automata environment. PMID:15222901

A Method to Represent Heterogeneous Materials for Rapid Prototyping: The Matryoshka Approach.

PubMed

Lei, Shuangyan; Frank, Matthew C; Anderson, Donald D; Brown, Thomas D

The purpose of this paper is to present a new method for representing heterogeneous materials using nested STL shells, based, in particular, on the density distributions of human bones. Nested STL shells, called Matryoshka models, are described, based on their namesake Russian nesting dolls. In this approach, polygonal models, such as STL shells, are "stacked" inside one another to represent different material regions. The Matryoshka model addresses the challenge of representing different densities and different types of bone when reverse engineering from medical images. The Matryoshka model is generated via an iterative process of thresholding the Hounsfield Unit (HU) data using computed tomography (CT), thereby delineating regions of progressively increasing bone density. These nested shells can represent regions starting with the medullary (bone marrow) canal, up through and including the outer surface of the bone. The Matryoshka approach introduced can be used to generate accurate models of heterogeneous materials in an automated fashion, avoiding the challenge of hand-creating an assembly model for input to multi-material additive or subtractive manufacturing. This paper presents a new method for describing heterogeneous materials: in this case, the density distribution in a human bone. The authors show how the Matryoshka model can be used to plan harvesting locations for creating custom rapid allograft bone implants from donor bone. An implementation of a proposed harvesting method is demonstrated, followed by a case study using subtractive rapid prototyping to harvest a bone implant from a human tibia surrogate.

Evolution of helical perturbations in a thin-shell model of an imploding liner

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

Ryutov, D. D.; Dorf, M. A.

A thin-shell model of the liner stability has been revisited and applied to the stability of the helical perturbations. Several stages of the implosion have been identified, starting from a long initial “latent” phase of an almost resting liner, continuing to the second stage of a rapid contraction and significant perturbation growth, and then transitioning to the third stage where perturbations become ballistic and highly non-linear. The stage of stagnation and rebound is beyond the scope of this paper. An importance of vorticity conservation during the late stages is emphasized. Nonlinear evolution of perturbations is followed up to the pointmore » of the formation of cusp structures. Effects of in-surface flows and of their enhancement due to the vorticity conservation are discussed. It is shown that the pre-machined perturbations created only on the outer surface of the liner grow much slower than one could anticipate. The limitations on the thin-shell description are discussed.« less

K-shell X-ray transition energies of multi-electron ions of silicon and sulfur

NASA Astrophysics Data System (ADS)

Beiersdorfer, P.; Brown, G. V.; Hell, N.; Santana, J. A.

2017-10-01

Prompted by the detection of K-shell absorption or emission features in the spectra of plasma surrounding high mass X-ray binaries and black holes, recent measurements using the Livermore electron beam ion trap have focused on the energies of the n = 2 to n = 1 K-shell transitions in the L-shell ions of lithiumlike through fluorinelike silicon and sulfur. In parallel, we have made calculations of these transitions using the Flexible Atomic Code and the multi-reference Møller-Plesset (MRMP) atomic physics code. Using this code we have attempted to produce sets of theoretical atomic data with spectroscopic accuracy for all the L-shell ions of silicon and sulfur. We present results of our calculations for oxygenlike and fluorinelike silicon and compare them to the recent electron beam ion trap measurements as well as previous calculations.

K-shell X-ray transition energies of multi-electron ions of silicon and sulfur

DOE PAGES

Beiersdorfer, P.; Brown, G. V.; Hell, N.; ...

2017-04-20

Prompted by the detection of K-shell absorption or emission features in the spectra of plasma surrounding high mass X-ray binaries and black holes, recent measurements using the Livermore electron beam ion trap have focused on the energies of the n = 2 to n = 1 K-shell transitions in the L-shell ions of lithiumlike through fluorinelike silicon and sulfur. In parallel, we have made calculations of these transitions using the Flexible Atomic Code and the multi-reference Møller-Plesset (MRMP) atomic physics code. Using this code we have attempted to produce sets of theoretical atomic data with spectroscopic accuracy for all themore » L-shell ions of silicon and sulfur. Here, we present results of our calculations for oxygenlike and fluorinelike silicon and compare them to the recent electron beam ion trap measurements as well as previous calculations.« less

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

PubMed Central

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

2015-01-01

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

Density functional theory for open-shell singlet biradicals

NASA Astrophysics Data System (ADS)

Gräfenstein, Jürgen; Kraka, Elfi; Cremer, Dieter

1998-05-01

The description of open-shell singlet (OSS) σ- π biradicals by density functional theory (DFT) requires at least a two-configurational (TC) or, in general, a MC-DFT approach, which bears many unsolved problems. These can be avoided by reformulating the TC description in the spirit of restricted open shell theory for singlets (ROSS) and developing an exchange-correlation functional for ROSS-DFT. ROSS-DFT turns out to lead to reliable descriptions of geometry and vibrational frequencies for OSS biradicals. The relative energies of the OSS states obtained at the ROSS-B3LYP/6-311G(d,p) level are often better than the corresponding ROSS-MP2 results. However, in those cases where spin polarization in a conjugated π systems plays a role, DFT predicts the triplet state related to the OSS state 2-4 kcal/mol too stable.

Cognitive and emotional factors associated with elective breast augmentation among young women.

PubMed

Moser, Stephanie E; Aiken, Leona S

2011-01-01

The purpose of this research was to propose and evaluate a psychosocial model of young women's intentions to obtain breast implants and the preparatory steps taken towards having breast implant surgery. The model integrated anticipated regret, descriptive norms and image norms from the media into the theory of planned behaviour (TPB). Focus groups (n = 58) informed development of measures of outcome expectancies, preparatory steps and normative influence. The model was tested and replicated among two samples of young women who had ever considered getting breast implants (n = 200, n = 152). Intentions and preparatory steps served as outcomes. Model constructs and outcomes were initially assessed; outcomes were re-assessed 11 weeks later. Evaluative attitudes and anticipated regret predicted intentions; in turn, intentions, along with descriptive norms, predicted subsequent preparatory steps. Perceived risk (susceptibility, severity) of negative medical consequences of breast implants predicted anticipated regret, which predicted evaluative attitudes. Intentions and preparatory steps exhibited interplay over time. This research provides the first comprehensive model predicting intentions and preparatory steps towards breast augmentation surgery. It supports the addition of anticipated regret to the TPB and suggests mutual influence between intentions and preparatory steps towards a final behavioural outcome.

Single and multi-layered core-shell structures based on ZnO nanorods obtained by aerosol assisted chemical vapor deposition

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

Sáenz-Trevizo, A.; Amézaga-Madrid, P.; Pizá-Ruiz, P.

2015-07-15

Core–shell nanorod structures were prepared by a sequential synthesis using an aerosol assisted chemical vapor deposition technique. Several samples consisting of ZnO nanorods were initially grown over TiO{sub 2} film-coated borosilicate glass substrates, following the synthesis conditions reported elsewhere. Later on, a uniform layer consisting of individual Al, Ni, Ti or Fe oxides was grown onto ZnO nanorod samples forming the so-called single MO{sub x}/ZnO nanorod core–shell structures, where MO{sub x} was the metal oxide shell. Additionally, a three-layer core–shell sample was developed by growing Fe, Ti and Fe oxides alternately, onto the ZnO nanorods. The microstructure of the core–shellmore » materials was characterized by grazing incidence X-ray diffraction, scanning and transmission electron microscopy. Energy dispersive X-ray spectroscopy was employed to corroborate the formation of different metal oxides. X-ray diffraction outcomes for single core–shell structures showed solely the presence of ZnO as wurtzite and TiO{sub 2} as anatase. For the multi-layered shell sample, the existence of Fe{sub 2}O{sub 3} as hematite was also detected. Morphological observations suggested the existence of an outer material grown onto the nanorods and further microstructural analysis by HR-STEM confirmed the development of core–shell structures in all cases. These studies also showed that the individual Al, Fe, Ni and Ti oxide layers are amorphous; an observation that matched with X-ray diffraction analysis where no apparent extra oxides were detected. For the multi-layered sample, the development of a shell consisting of three different oxide layers onto the nanorods was found. Overall results showed that no alteration in the primary ZnO core was produced during the growth of the shells, indicating that the deposition technique used herein was and it is suitable for the synthesis of homogeneous and complex nanomaterials high in quality and purity. In addition, materials absorptance determined from the total transmittance and reflectance spectra revealed a broader absorption interval including visible light, indicating potential uses of these nanostructures on solar energy appliances. - Graphical abstract: Display Omitted - Highlights: • Uniform ZnO nanorods (core)–metal oxide (shell) were obtained sequentially by AACVD. • Shells were structured of homogeneous single or multi-layered non-mixed metal oxides. • ZnO nanorod core was preserved during the shell synthesis. • Optical absorptance revealed visible interval absorption for FeO{sub x} shell samples. • Materials can be suitable for photocatalytic or photovoltaic applications.« less

Controlled Formation of Radial Core-Shell Si/Metal Silicide Crystalline Heterostructures.

PubMed

Kosloff, Alon; Granot, Eran; Barkay, Zahava; Patolsky, Fernando

2018-01-10

The highly controlled formation of "radial" silicon/NiSi  core-shell nanowire heterostructures has been demonstrated for the first time. Here, we investigated the "radial" diffusion of nickel atoms into crystalline nanoscale silicon pillar 11 cores, followed by nickel silicide phase formation and the creation of a well-defined shell structure. The described approach is based on a two-step thermal process, which involves metal diffusion at low temperatures in the range of 200-400 °C, followed by a thermal curing step at a higher temperature of 400 °C. In-depth crystallographic analysis was performed by nanosectioning the resulting silicide-shelled silicon nanopillar heterostructures, giving us the ability to study in detail the newly formed silicide shells. Remarkably, it was observed that the resulting silicide shell thickness has a self-limiting behavior, and can be tightly controlled by the modulation of the initial diffusion-step temperature. In addition, electrical measurements of the core-shell structures revealed that the resulting shells can serve as an embedded conductive layer in future optoelectronic applications. This research provides a broad insight into the Ni silicide "radial" diffusion process at the nanoscale regime, and offers a simple approach to form thickness-controlled metal silicide shells in the range of 5-100 nm around semiconductor nanowire core structures, regardless the diameter of the nanowire cores. These high quality Si/NiSi core-shell nanowire structures will be applied in the near future as building blocks for the creation of utrathin highly conductive optically transparent top electrodes, over vertical nanopillars-based solar cell devices, which may subsequently lead to significant performance improvements of these devices in terms of charge collection and reduced recombination.

A closed-loop multi-level model of glucose homeostasis

PubMed Central

Uluseker, Cansu; Simoni, Giulia; Dauriz, Marco; Matone, Alice

2018-01-01

Background The pathophysiologic processes underlying the regulation of glucose homeostasis are considerably complex at both cellular and systemic level. A comprehensive and structured specification for the several layers of abstraction of glucose metabolism is often elusive, an issue currently solvable with the hierarchical description provided by multi-level models. In this study we propose a multi-level closed-loop model of whole-body glucose homeostasis, coupled with the molecular specifications of the insulin signaling cascade in adipocytes, under the experimental conditions of normal glucose regulation and type 2 diabetes. Methodology/Principal findings The ordinary differential equations of the model, describing the dynamics of glucose and key regulatory hormones and their reciprocal interactions among gut, liver, muscle and adipose tissue, were designed for being embedded in a modular, hierarchical structure. The closed-loop model structure allowed self-sustained simulations to represent an ideal in silico subject that adjusts its own metabolism to the fasting and feeding states, depending on the hormonal context and invariant to circadian fluctuations. The cellular level of the model provided a seamless dynamic description of the molecular mechanisms downstream the insulin receptor in the adipocytes by accounting for variations in the surrounding metabolic context. Conclusions/Significance The combination of a multi-level and closed-loop modeling approach provided a fair dynamic description of the core determinants of glucose homeostasis at both cellular and systemic scales. This model architecture is intrinsically open to incorporate supplementary layers of specifications describing further individual components influencing glucose metabolism. PMID:29420588

Core-shell TiO2@ZnO nanorods for efficient ultraviolet photodetection

NASA Astrophysics Data System (ADS)

Panigrahi, Shrabani; Basak, Durga

2011-05-01

Core-shell TiO2@ZnO nanorods (NRs) have been fabricated by a simple two step method: growth of ZnO NRs' array by an aqueous chemical technique and then coating of the NRs with a solution of titanium isopropoxide [Ti(OC3H7)4] followed by a heating step to form the shell. The core-shell nanocomposites are composed of single-crystalline ZnO NRs, coated with a thin TiO2 shell layer obtained by varying the number of coatings (one, three and five times). The ultraviolet (UV) emission intensity of the nanocomposite is largely quenched due to an efficient electron-hole separation reducing the band-to-band recombinations. The UV photoconductivity of the core-shell structure with three times TiO2 coating has been largely enhanced due to photoelectron transfer between the core and the shell. The UV photosensitivity of the nanocomposite becomes four times larger while the photocurrent decay during steady UV illumination has been decreased almost by 7 times compared to the as-grown ZnO NRs indicating high efficiency of these core-shell structures as UV sensors.

How to use multi-criteria decision analysis methods for reimbursement decision-making in healthcare: a step-by-step guide.

PubMed

Diaby, Vakaramoko; Goeree, Ron

2014-02-01

In recent years, the quest for more comprehensiveness, structure and transparency in reimbursement decision-making in healthcare has prompted the research into alternative decision-making frameworks. In this environment, multi-criteria decision analysis (MCDA) is arising as a valuable tool to support healthcare decision-making. In this paper, we present the main MCDA decision support methods (elementary methods, value-based measurement models, goal programming models and outranking models) using a case study approach. For each family of methods, an example of how an MCDA model would operate in a real decision-making context is presented from a critical perspective, highlighting the parameters setting, the selection of the appropriate evaluation model as well as the role of sensitivity and robustness analyses. This study aims to provide a step-by-step guide on how to use MCDA methods for reimbursement decision-making in healthcare.

A higher-order theory for geometrically nonlinear analysis of composite laminates

NASA Technical Reports Server (NTRS)

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

1987-01-01

A third-order shear deformation theory of laminated composite plates and shells is developed, the Navier solutions are derived, and its finite element models are developed. The theory allows parabolic description of the transverse shear stresses, and therefore the shear correction factors of the usual shear deformation theory are not required in the present theory. The theory also accounts for the von Karman nonlinear strains. Closed-form solutions of the theory for rectangular cross-ply and angle-ply plates and cross-ply shells are developed. The finite element model is based on independent approximations of the displacements and bending moments (i.e., mixed finite element model), and therefore, only C sup o -approximation is required. The finite element model is used to analyze cross-ply and angle-ply laminated plates and shells for bending and natural vibration. Many of the numerical results presented here should serve as references for future investigations. Three major conclusions resulted from the research: First, for thick laminates, shear deformation theories predict deflections, stresses and vibration frequencies significantly different from those predicted by classical theories. Second, even for thin laminates, shear deformation effects are significant in dynamic and geometrically nonlinear analyses. Third, the present third-order theory is more accurate compared to the classical and firt-order theories in predicting static and dynamic response of laminated plates and shells made of high-modulus composite materials.

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

Coal-Burning Technologies Applicable to Air Force Central Heating Plants

DTIC Science & Technology

1989-12-01

8 3. DESCRIPTION OF REPLACEMENT OR EXPANSION TECHNOLOGIES ........ 9 3.1.1 Shell (Fire- Tube ) Boilers ........... 9...3.1.2 Water- Tube Boilers .*.*........***.... 10 3.1.3 Packaged vs Field-Erected Construction ...... 11 3.2 STOKER FIRING ...... .. 11 3.2.1 Description...FIGURES 4 Figure Pg 1 Schematic diagram of a typical scotch shell boiler: wet-back, three-pass design ..~............... 9 2 Commnon tube patterns for

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

NASA Astrophysics Data System (ADS)

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

2017-10-01

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

The any particle molecular orbital grid-based Hartree-Fock (APMO-GBHF) approach

NASA Astrophysics Data System (ADS)

Posada, Edwin; Moncada, Félix; Reyes, Andrés

2018-02-01

The any particle molecular orbital grid-based Hartree-Fock approach (APMO-GBHF) is proposed as an initial step to perform multi-component post-Hartree-Fock, explicitly correlated, and density functional theory methods without basis set errors. The method has been applied to a number of electronic and multi-species molecular systems. Results of these calculations show that the APMO-GBHF total energies are comparable with those obtained at the APMO-HF complete basis set limit. In addition, results reveal a considerable improvement in the description of the nuclear cusps of electronic and non-electronic densities.

Multi-Reservoir Phospholipid Shell Encapsulating Protamine Nanocapsules for Co-Delivery of Letrozole and Celecoxib in Breast Cancer Therapy.

PubMed

Elzoghby, Ahmed O; Mostafa, Shaimaa K; Helmy, Maged W; ElDemellawy, Maha A; Sheweita, Salah A

2017-09-01

In the current work, we propose a combined delivery nanoplatform for letrozole (LTZ) and celecoxib (CXB). Multi-reservoir nanocarriers were developed by enveloping protamine nanocapsules (PRM-NCs) within drug-phospholipid complex bilayer. Encapsulation of NCs within phospholipid bilayer was confirmed by both size increase from 109.7 to 179.8 nm and reduction of surface charge from +19.0 to +7.78 mV. The multi-compartmental core-shell structure enabled biphasic CXB release with initial fast release induced by complexation with phospholipid shell followed by prolonged release from oily core. Moreover, phospholipid coating provided protection for cationic PRM-NCs against interaction with RBCs and serum proteins enabling their systemic administration. Pharmacokinetic analysis demonstrated prolonged circulation and delayed clearance of both drugs after intravenous administration into rats. The superior anti-tumor efficacy of multi-reservoir NCs was manifested as powerful cytotoxicity against MCF-7 breast cancer cells and marked reduction in the mammary tumor volume in Ehrlich ascites bearing mice compared with free LTZ-CXB combination. Moreover, the NCs induced apoptotic caspase activation and marked inhibition of aromatase expression and angiogenic marker, VEGF as well as inhibition of both NFκB and TNFα. Multi-reservoir phospholipid shell coating PRM-NCs could serve as a promising nanocarrier for parenteral combined delivery of LTZ and CXB.

Radiation from mixed multi-planar wire arrays

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

Safronova, A. S.; Kantsyrev, V. L.; Esaulov, A. A.

2014-03-15

The study of radiation from different wire materials in wire array Z-pinch plasma is a very challenging topic because it is almost impossible to separate different plasmas at the stagnation. A new approach is suggested based on planar wire array (PWA) loads to assess this problem. Multi-planar wire arrays are implemented that consist of few planes, each with the same number of wires and masses but from different wire materials, arranged in parallel rows. In particular, the experimental results obtained with triple PWAs (TPWAs) on the UNR Zebra generator are analyzed with Wire Ablation Dynamics Model, non-local thermodynamic equilibrium kineticmore » model, and 2D radiation magneto-hydrodynamic to illustrate this new approach. In TPWAs, two wire planes were from mid-atomic-number wire material and another plane was from alloyed Al, placed either in the middle or at the edge of the TPWA. Spatial and temporal properties of K-shell Al and L-shell Cu radiations were analyzed and compared from these two configurations of TPWAs. Advantages of the new approach are demonstrated and future work is discussed.« less

Technical note: Equivalent genomic models with a residual polygenic effect.

PubMed

Liu, Z; Goddard, M E; Hayes, B J; Reinhardt, F; Reents, R

2016-03-01

Routine genomic evaluations in animal breeding are usually based on either a BLUP with genomic relationship matrix (GBLUP) or single nucleotide polymorphism (SNP) BLUP model. For a multi-step genomic evaluation, these 2 alternative genomic models were proven to give equivalent predictions for genomic reference animals. The model equivalence was verified also for young genotyped animals without phenotypes. Due to incomplete linkage disequilibrium of SNP markers to genes or causal mutations responsible for genetic inheritance of quantitative traits, SNP markers cannot explain all the genetic variance. A residual polygenic effect is normally fitted in the genomic model to account for the incomplete linkage disequilibrium. In this study, we start by showing the proof that the multi-step GBLUP and SNP BLUP models are equivalent for the reference animals, when they have a residual polygenic effect included. Second, the equivalence of both multi-step genomic models with a residual polygenic effect was also verified for young genotyped animals without phenotypes. Additionally, we derived formulas to convert genomic estimated breeding values of the GBLUP model to its components, direct genomic values and residual polygenic effect. Third, we made a proof that the equivalence of these 2 genomic models with a residual polygenic effect holds also for single-step genomic evaluation. Both the single-step GBLUP and SNP BLUP models lead to equal prediction for genotyped animals with phenotypes (e.g., reference animals), as well as for (young) genotyped animals without phenotypes. Finally, these 2 single-step genomic models with a residual polygenic effect were proven to be equivalent for estimation of SNP effects, too. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

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

DOE PAGES

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

2016-10-15

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

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

2016-04-21

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

Developing core-shell upconversion nanoparticles for optical encoding

NASA Astrophysics Data System (ADS)

Huang, Kai

Lanthanide-doped upconversion nanoparticles (UCNPs) are an emerging class of luminescent materials that emit UV or visible light under near infra-red (NIR) excitations, thereby possessing a large anti-Stokes shift property. Also considering their sharp emission bands, excellent photo- and chemical stability, and almost zero auto-fluorescence of their NIR excitation, UCNPs are advantageous for optical encoding. Fabricating core-shell structured UCNPs provides a promising strategy to tune and enhance their upconverting luminescence. However, the energy transfer between core and shell had been rarely studied. Moreover, this strategy had been limited by the difficulty of coating thick shells onto the large cores of UCNPs. To overcome these constraints, the overall aim of this project is to study the inter-layers energy transfer in core-shell UCNPs and to develop an approach for coating thicker shell onto the core UCNPs, in order to fabricate UCNPs with enhanced and tunable luminescence for optical encoding. The strategy for encapsulating UCNPs into hydrogel droplet to fabricate multi-color bead barcodes has also been developed. Firstly, to study the inter-layers energy transfer between the core and shell of coreshell UCNPs, the activator and sensitizer ions were separately doped in the core or shell by fabricating NaYF4:Er NaYF4:Yb and NaYF4:Yb NaYF4:Er UCNPs. This eliminated the intra-layer energy transfer, resulting in a luminescence that is solely based on the energy transfer between layers, which facilitated the study of inter-layers energy transfer. The results demonstrated that the NaYF4:Yb NaYF4:Er structure, with sensitizer ions doped in the core, was preferable because of the strong luminescence, through minimizing the cross relaxations between Er3+ and Yb3+ and the surface quenching. Based on these information, a strategy of enhancing and tuning upconversion luminescence of core-shell UCNPs by accumulating sensitizer in the core has been developed. Next, a strategy of coating a thick shell by lutetium doping has been developed. With a smaller ion radius compared to Y3+, when Lu3+ partially replace Y3+ in the NaYF4 UCNPs during nanoparticle synthesis, nucleation process is suppressed and the growth process is promoted, which are favorable for increasing the nanoparticle size and coating a thicker shell onto the core UCNPs. Through the rational doping of Lu3+, core UCNPs with bigger sizes and enhanced luminescence were produced. Using NaLuF4 as the shell material, shells with tremendous thickness were coated onto core UCNPs, with the shell/core ratio of up to 10:1. This led to the fabrication of multi-color UCNPs with well-designed core-shell structures with multiple layers and controllable thicknesses. Finally, a strategy of encapsulating these UCNPs to produce optically encoded micro-beads through high-throughput microfluidics has been developed. The hydrophobic UCNPs were first modified with Pluronic F127 to render them hydrophilic and uniformly distributed in the poly (ethylene glycol) diacrylate (PEGDA) hydrogel precursor. Droplets of the hydrogel precursor were formed in a microfluidic device and cross-linked into micro-beads under UV irradiation. Through encapsulation of multi-color UCNPs and by controlling their ratio, optically encoded multi-color micro-beads have been easily fabricated. These multi-color UCNPs and micro-bead barcodes have great potential for use in multiplexed bioimaging and detection.

A Study of Multi-Λ Hypernuclei Within Spherical Relativistic Mean-Field Approach

NASA Astrophysics Data System (ADS)

Rather, Asloob A.; Ikram, M.; Usmani, A. A.; Kumar, B.; Patra, S. K.

2017-12-01

This research article is a follow up of an earlier work by M. Ikram et al., reported in Int. J. Mod. Phys. E 25, 1650103 (2016) where we searched for Λ magic numbers in experimentally confirmed doubly magic nucleonic cores in light to heavy mass region (i.e., 16 O-208 P b) by injecting Λ's into them. In the present manuscript, working within the state of the art relativistic mean field theory with the inclusion of Λ N and ΛΛ interaction in addition to nucleon-meson NL 3∗ effective force, we extend the search of lambda magic numbers in multi- Λ hypernuclei using the predicted doubly magic nucleonic cores 292120, 304120, 360132, 370132, 336138, 396138 of the elusive superheavy mass regime. In analogy to well established signatures of magicity in conventional nuclear theory, the prediction of hypernuclear magicities is made on the basis of one-, two- Λ separation energy ( S Λ, S 2Λ) and two lambda shell gaps ( δ 2Λ) in multi- Λ hypernuclei. The calculations suggest that the Λ numbers 92, 106, 126, 138, 184, 198, 240, and 258 might be the Λ shell closures after introducing the Λ's in the elusive superheavy nucleonic cores. The appearance of new lambda shell closures apart from the nucleonic ones predicted by various relativistic and non-relativistic theoretical investigations can be attributed to the relatively weak strength of the spin-orbit coupling in hypernuclei compared to normal nuclei. Further, the predictions made in multi- Λ hypernuclei under study resembles closely the magic numbers in conventional nuclear theory suggested by various relativistic and non-relativistic theoretical models. Moreover, in support of the Λ shell closure, the investigation of Λ pairing energy and effective Λ pairing gap has been made. We noticed a very close agreement of the predicted Λ shell closures with the survey made on the pretext of S Λ, S 2Λ, and δ 2Λ except for the appearance of magic numbers corresponding to Λ = 156 which manifest in Λ effective pairing gap and pairing energy. Also, the lambda single-particle spectrum is analyzed to mark the energy shell gap for further strengthening the predictions made on the basis of separation energies and shell gaps. Lambda and nucleon spin-orbit interactions are analyzed to confirm the reduction in magnitude of Λ spin-orbit interaction compared to the nucleonic case, however the interaction profile is similar in both the cases. Lambda and nucleon density distributions have been investigated to reveal the impurity effect of Λ hyperons which make the depression of central density of the core of superheavy doubly magic nuclei. Lambda skin structure is also seen.

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.

Shell model description of heavy nuclei and abnormal collective motions

NASA Astrophysics Data System (ADS)

Qi, Chong

2018-05-01

In this contribution I present systematic calculations on the spectroscopy and electromagnetic transition properties of intermediate-mass and heavy nuclei around 100Sn and 208Pb. We employed the large-scale configuration interaction shell model approach with realistic interactions. Those nuclei are the longest isotopic chains that can be studied by the nuclear shell model. I will show that the yrast spectra of Te isotopes show a vibrational-like equally spaced pattern but the few known E2 transitions show rotational-like behaviour. These kinds of abnormal collective behaviors cannot be reproduced by standard collective models and provide excellent background to study the competition of single-particle and various collective degrees of freedom. Moreover, the calculated B(E2) values for neutron-deficient and heavier Te isotopes show contrasting different behaviours along the yrast line, which may be related to the enhanced neutron-proton correlation when approaching N=50. The deviations between theory and experiment concerning the energies and E2 transition properties of low-lying 0+ and 2+ excited states and isomeric states in those nuclei may provide a constraint on our understanding of nuclear deformation and intruder configuration in that region.

How Different kinds of Communication and the Mass Media Affect Tourism.

DTIC Science & Technology

1984-12-01

C. Criticism of the Two-Step Flow Model------------------------------ 38 3. The Multi-Step Flow Model or Theory------- 39 4. One-Step Flow Model or... Criticism of the Two-Step Flow Model Researchers have identified deficiencies in the r,,c-w:er :low-model. McNelly, for instance, se,7s mass...evidence of the relative importance of cc munication on the diffusion flow. 38 Rogers ’as criticized ] the theor-y on the grounds that: neither its

Future Directions and Challenges in Shell Stability Analysis

NASA Technical Reports Server (NTRS)

Arbocz, Johann

1997-01-01

An answer is sought to the question how comes that today, in 1997, after so many years of concentrated research effort, when it comes to designing buckling critical thin walled shells, one cannot do any better than using the rather conservative Lower Bound Design Philosophy of the sixties. It will be shown that with the establishment of Initial Imperfection Data Banks and the introduction of Probabilistic Design Procedures one has, what appears to be, a viable alternative that when used judiciously may lead step by step to improved shell design recommendations.

Ocean Tidal Dynamics and Dissipation in the Thick Shell Worlds

NASA Astrophysics Data System (ADS)

Hay, H.; Matsuyama, I.

2017-12-01

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

Quantitative properties of clustering within modern microscopic nuclear models

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

Volya, A.; Tchuvil’sky, Yu. M., E-mail: tchuvl@nucl-th.sinp.msu.ru

2016-09-15

A method for studying cluster spectroscopic properties of nuclear fragmentation, such as spectroscopic amplitudes, cluster form factors, and spectroscopic factors, is developed on the basis of modern precision nuclear models that take into account the mixing of large-scale shell-model configurations. Alpha-cluster channels are considered as an example. A mathematical proof of the need for taking into account the channel-wave-function renormalization generated by exchange terms of the antisymmetrization operator (Fliessbach effect) is given. Examples where this effect is confirmed by a high quality of the description of experimental data are presented. By and large, the method in question extends substantially themore » possibilities for studying clustering phenomena in nuclei and for improving the quality of their description.« less

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.

Comparing the High School English Curriculum in Turkey through Multi-Analysis

ERIC Educational Resources Information Center

Batdi, Veli

2017-01-01

This study aimed to compare the High School English Curriculum (HSEC) in accordance with Stufflebeam's context, input, process and product (CIPP) model through multi-analysis. The research includes both quantitative and qualitative aspects. A descriptive analysis was operated through Rasch Measurement Model; SPSS program for the quantitative…

The Development of a Multi-Level Model for Crisis Preparedness and Intervention in the Greek Educational System

ERIC Educational Resources Information Center

Hatzichristiou, Chryse; Issari, Philia; Lykitsakou, Konstantina; Lampropoulou, Aikaterini; Dimitropoulou, Panayiota

2011-01-01

This article proposes a multi-level model for crisis preparedness and intervention in the Greek educational system. It presents: a) a brief overview of leading models of school crisis preparedness and intervention as well as cultural considerations for contextually relevant crisis response; b) a description of existing crisis intervention…

Participant Adherence Indicators Predict Changes in Blood Pressure, Anthropometric Measures, and Self-Reported Physical Activity in a Lifestyle Intervention: HUB City Steps

PubMed Central

Thomson, Jessica L.; Landry, Alicia S.; Zoellner, Jamie M.; Connell, Carol; Madson, Michael B.; Molaison, Elaine Fontenot; Yadrick, Kathy

2014-01-01

The objective of this secondary analysis was to evaluate the utility of several participant adherence indicators for predicting changes in clinical, anthropometric, dietary, fitness, and physical activity (PA) outcomes in a lifestyle intervention, HUB City Steps, conducted in a southern, African American cohort in 2010. HUB City Steps was a 6 month, community engaged, multi component, non controlled, intervention targeting hypertension risk factors. Descriptive indicators were constructed using 2 participant adherence measures, education session attendance (ESA) and weekly steps/day pedometer diary submission (PDS), separately and in combination. Analyses, based on data from 269 primarily African American adult participants, included bivariate tests of association and multivariable linear regression to determine significant relationships between 7 adherence indicators and health outcome changes, including clinical, anthropometric, dietary, fitness, and PA measures. ESA indicators were significantly correlated with 4 health outcomes, body mass index (BMI), fat mass, low density lipoprotein (LDL), and PA ( .29≤ r ≤ .23; P<.05). PDS indicators were significantly correlated with PA (r=.27; P<.001). Combination ESA/PDS indicators were significantly correlated with 5 health outcomes, BMI, % body fat (%BF), fat mass, LDL, and PA (r= .26 to .29; P<.05). Results from the multivariate models indicated that the combination ESA/PDS indicators were the most significant predictors of changes for 5 outcomes, %BF, fat mass, LDL diastolic blood pressure (DBP), and PA, while ESA performed best for BMI only. For DBP, a 1 unit increase in the continuous categorical ESA/PDS indicator resulted in .3 mm Hg decrease. Implications for assessing participant adherence in community based, multi component lifestyle intervention research are discussed. PMID:24986913

Descriptions of carbon isotopes within the energy density functional theory

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

Ismail, Atef; Cheong, Lee Yen; Yahya, Noorhana

2014-10-24

Within the energy density functional (EDF) theory, the structure properties of Carbon isotopes are systematically studied. The shell model calculations are done for both even-A and odd-A nuclei, to study the structure of rich-neutron Carbon isotopes. The EDF theory indicates the single-neutron halo structures in {sup 15}C, {sup 17}C and {sup 19}C, and the two-neutron halo structures in {sup 16}C and {sup 22}C nuclei. It is also found that close to the neutron drip-line, there exist amazing increase in the neutron radii and decrease on the binding energies BE, which are tightly related with the blocking effect and correspondingly themore » blocking effect plays a significant role in the shell model configurations.« less

Electron Impact Inner-shell Ionization including relativistic corrections.

NASA Astrophysics Data System (ADS)

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

2007-04-01

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

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.

Improvement on controllable fabrication of streptavidin-modified three-layer core-shell Fe3O4@SiO2@Au magnetic nanocomposites with low fluorescence background.

PubMed

Jiang, Hongrong; Zeng, Xin; Xi, Zhijiang; Liu, Ming; Li, Chuanyan; Li, Zhiyang; Jin, Lian; Wang, Zhifei; Deng, Yan; He, Nongyue

2013-04-01

In present study, we put forward an approach to prepare three-layer core-shell Fe3O4@SiO2@Au magnetic nanocomposites via the combination of self-assembling, seed-mediated growing and multi-step chemical reduction. The Fe3O4@SiO2@Au magnetic nanocomposites were analyzed and characterized by transmission electron microscope (TEM), scanning electronic microscope (SEM), energy dispersive spectrometer analysis (EDS), Fourier transform infrared spectroscopy (FT-IR), vibrating sample magnetometer (VSM), and ultraviolet and visible spectrophotometer (UV-Vis). TEM and SEM characterizations showed that the FeO4@SiO2@Au nanocomposites were obtained successfully with three-layer structures, especially a layer of thin, smooth and continuous gold shell. The average diameter of Fe3O4@SiO2@Au nanocomposites was about 600 nm and an excellent dispersity was observed for the as-prepared nanoparticles. EDS characterizations demonstrated that the nanocomposites contained three elements of the precursors, Fe, Si, and Au. Furthermore, FT-IR showed that the silica and gold shell were coated successfully. UV-Vis and VSM characterizations showed that the Fe3O4@SiO2@Au nanocomposites exhibited good optical and magnetic property, and the saturation magnetization was 25.76 emu/g. In conclusion, the Fe3O4@SiO2@Au magnetic nanocomposites with three-layer core-shell structures were prepared. Furthermore, Fe3O4@SiO2@Au magnetic nanocomposites were modified with streptavidin (SA) successfully, and it was validated that they performed low fluorescence background, suggesting that they should have good applications especially in bioassay based on fluorescence detection through bonding the biotinylated fluorescent probes.

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization

NASA Astrophysics Data System (ADS)

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-01

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization.

PubMed

Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

2018-03-28

The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

Emergent properties of nuclei from ab initio coupled-cluster calculations

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

Hagen, G.; Hjorth-Jensen, M.; Jansen, G. R.

Emergent properties such as nuclear saturation and deformation, and the effects on shell structure due to the proximity of the scattering continuum and particle decay channels are fascinating phenomena in atomic nuclei. In recent years, ab initio approaches to nuclei have taken the first steps towards tackling the computational challenge of describing these phenomena from Hamiltonians with microscopic degrees of freedom. Our endeavor is now possible due to ideas from effective field theories, novel optimization strategies for nuclear interactions, ab initio methods exhibiting a soft scaling with mass number, and ever-increasing computational power. We review some of the recent accomplishments. We also present new results. The recently optimized chiral interaction NNLOmore » $${}_{{\\rm{sat}}}$$ is shown to provide an accurate description of both charge radii and binding energies in selected light- and medium-mass nuclei up to 56Ni. We derive an efficient scheme for including continuum effects in coupled-cluster computations of nuclei based on chiral nucleon–nucleon and three-nucleon forces, and present new results for unbound states in the neutron-rich isotopes of oxygen and calcium. Finally, the coupling to the continuum impacts the energies of the $${J}^{\\pi }=1/{2}^{-},3/{2}^{-},7/{2}^{-},3/{2}^{+}$$ states in $${}^{\\mathrm{17,23,25}}$$O, and—contrary to naive shell-model expectations—the level ordering of the $${J}^{\\pi }=3/{2}^{+},5/{2}^{+},9/{2}^{+}$$ states in $${}^{\\mathrm{53,55,61}}$$Ca.« less

Emergent properties of nuclei from ab initio coupled-cluster calculations

DOE PAGES

Hagen, G.; Hjorth-Jensen, M.; Jansen, G. R.; ...

2016-05-17

Emergent properties such as nuclear saturation and deformation, and the effects on shell structure due to the proximity of the scattering continuum and particle decay channels are fascinating phenomena in atomic nuclei. In recent years, ab initio approaches to nuclei have taken the first steps towards tackling the computational challenge of describing these phenomena from Hamiltonians with microscopic degrees of freedom. Our endeavor is now possible due to ideas from effective field theories, novel optimization strategies for nuclear interactions, ab initio methods exhibiting a soft scaling with mass number, and ever-increasing computational power. We review some of the recent accomplishments. We also present new results. The recently optimized chiral interaction NNLOmore » $${}_{{\\rm{sat}}}$$ is shown to provide an accurate description of both charge radii and binding energies in selected light- and medium-mass nuclei up to 56Ni. We derive an efficient scheme for including continuum effects in coupled-cluster computations of nuclei based on chiral nucleon–nucleon and three-nucleon forces, and present new results for unbound states in the neutron-rich isotopes of oxygen and calcium. Finally, the coupling to the continuum impacts the energies of the $${J}^{\\pi }=1/{2}^{-},3/{2}^{-},7/{2}^{-},3/{2}^{+}$$ states in $${}^{\\mathrm{17,23,25}}$$O, and—contrary to naive shell-model expectations—the level ordering of the $${J}^{\\pi }=3/{2}^{+},5/{2}^{+},9/{2}^{+}$$ states in $${}^{\\mathrm{53,55,61}}$$Ca.« less

A Qualitative Approach to the Evaluation of Expert Systems Shells.

ERIC Educational Resources Information Center

Slawson, Dean A.; And Others

This study explores an approach to the evaluation of expert system shells using case studies. The methodology and some of the results of an evaluation of the prototype development of an expert system using the shell "M1" are detailed, including a description of the participants and the project, the data collection process and materials,…

On the multi-reference nature of plutonium oxides: PuO22+, PuO2, PuO3 and PuO2(OH)2.

PubMed

Boguslawski, Katharina; Réal, Florent; Tecmer, Paweł; Duperrouzel, Corinne; Gomes, André Severo Pereira; Legeza, Örs; Ayers, Paul W; Vallet, Valérie

2017-02-08

Actinide-containing complexes present formidable challenges for electronic structure methods due to the large number of degenerate or quasi-degenerate electronic states arising from partially occupied 5f and 6d shells. Conventional multi-reference methods can treat active spaces that are often at the upper limit of what is required for a proper treatment of species with complex electronic structures, leaving no room for verifying their suitability. In this work we address the issue of properly defining the active spaces in such calculations, and introduce a protocol to determine optimal active spaces based on the use of the Density Matrix Renormalization Group algorithm and concepts of quantum information theory. We apply the protocol to elucidate the electronic structure and bonding mechanism of volatile plutonium oxides (PuO 3 and PuO 2 (OH) 2 ), species associated with nuclear safety issues for which little is known about the electronic structure and energetics. We show how, within a scalar relativistic framework, orbital-pair correlations can be used to guide the definition of optimal active spaces which provide an accurate description of static/non-dynamic electron correlation, as well as to analyse the chemical bonding beyond a simple orbital model. From this bonding analysis we are able to show that the addition of oxo- or hydroxo-groups to the plutonium dioxide species considerably changes the π-bonding mechanism with respect to the bare triatomics, resulting in bent structures with a considerable multi-reference character.

Pharmaceutical 3D printing: Design and qualification of a single step print and fill capsule.

PubMed

Smith, Derrick M; Kapoor, Yash; Klinzing, Gerard R; Procopio, Adam T

2018-06-10

Fused deposition modeling (FDM) 3D printing (3DP) has a potential to change how we envision manufacturing in the pharmaceutical industry. A more common utilization for FDM 3DP is to build upon existing hot melt extrusion (HME) technology where the drug is dispersed in the polymer matrix. However, reliable manufacturing of drug-containing filaments remains a challenge along with the limitation of active ingredients which can sustain the processing risks involved in the HME process. To circumvent this obstacle, a single step FDM 3DP process was developed to manufacture thin-walled drug-free capsules which can be filled with dry or liquid drug product formulations. Drug release from these systems is governed by the combined dissolution of the FDM capsule 'shell' and the dosage form encapsulated in these shells. To prepare the shells, the 3D printer files (extension '.gcode') were modified by creating discrete zones, so-called 'zoning process', with individual print parameters. Capsules printed without the zoning process resulted in macroscopic print defects and holes. X-ray computed tomography, finite element analysis and mechanical testing were used to guide the zoning process and printing parameters in order to manufacture consistent and robust capsule shell geometries. Additionally, dose consistencies of drug containing liquid formulations were investigated in this work. Copyright © 2018 Elsevier B.V. All rights reserved.

Core-shell TiO2@ZnO nanorods for efficient ultraviolet photodetection.

PubMed

Panigrahi, Shrabani; Basak, Durga

2011-05-01

Core-shell TiO(2)@ZnO nanorods (NRs) have been fabricated by a simple two step method: growth of ZnO NRs' array by an aqueous chemical technique and then coating of the NRs with a solution of titanium isopropoxide [Ti(OC(3)H(7))(4)] followed by a heating step to form the shell. The core-shell nanocomposites are composed of single-crystalline ZnO NRs, coated with a thin TiO(2) shell layer obtained by varying the number of coatings (one, three and five times). The ultraviolet (UV) emission intensity of the nanocomposite is largely quenched due to an efficient electron-hole separation reducing the band-to-band recombinations. The UV photoconductivity of the core-shell structure with three times TiO(2) coating has been largely enhanced due to photoelectron transfer between the core and the shell. The UV photosensitivity of the nanocomposite becomes four times larger while the photocurrent decay during steady UV illumination has been decreased almost by 7 times compared to the as-grown ZnO NRs indicating high efficiency of these core-shell structures as UV sensors. © The Royal Society of Chemistry 2011

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

NASA Technical Reports Server (NTRS)

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

1999-01-01

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

Toward a Model Framework of Generalized Parallel Componential Processing of Multi-Symbol Numbers

ERIC Educational Resources Information Center

Huber, Stefan; Cornelsen, Sonja; Moeller, Korbinian; Nuerk, Hans-Christoph

2015-01-01

In this article, we propose and evaluate a new model framework of parallel componential multi-symbol number processing, generalizing the idea of parallel componential processing of multi-digit numbers to the case of negative numbers by considering the polarity signs similar to single digits. In a first step, we evaluated this account by defining…

A Method to Represent Heterogeneous Materials for Rapid Prototyping: The Matryoshka Approach

PubMed Central

Lei, Shuangyan; Frank, Matthew C.; Anderson, Donald D.; Brown, Thomas D.

2015-01-01

Purpose The purpose of this paper is to present a new method for representing heterogeneous materials using nested STL shells, based, in particular, on the density distributions of human bones. Design/methodology/approach Nested STL shells, called Matryoshka models, are described, based on their namesake Russian nesting dolls. In this approach, polygonal models, such as STL shells, are “stacked” inside one another to represent different material regions. The Matryoshka model addresses the challenge of representing different densities and different types of bone when reverse engineering from medical images. The Matryoshka model is generated via an iterative process of thresholding the Hounsfield Unit (HU) data using computed tomography (CT), thereby delineating regions of progressively increasing bone density. These nested shells can represent regions starting with the medullary (bone marrow) canal, up through and including the outer surface of the bone. Findings The Matryoshka approach introduced can be used to generate accurate models of heterogeneous materials in an automated fashion, avoiding the challenge of hand-creating an assembly model for input to multi-material additive or subtractive manufacturing. Originality/Value This paper presents a new method for describing heterogeneous materials: in this case, the density distribution in a human bone. The authors show how the Matryoshka model can be used to plan harvesting locations for creating custom rapid allograft bone implants from donor bone. An implementation of a proposed harvesting method is demonstrated, followed by a case study using subtractive rapid prototyping to harvest a bone implant from a human tibia surrogate. PMID:26120277

Multi-Model Combination techniques for Hydrological Forecasting: Application to Distributed Model Intercomparison Project Results

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

Ajami, N K; Duan, Q; Gao, X

2005-04-11

This paper examines several multi-model combination techniques: the Simple Multi-model Average (SMA), the Multi-Model Super Ensemble (MMSE), Modified Multi-Model Super Ensemble (M3SE) and the Weighted Average Method (WAM). These model combination techniques were evaluated using the results from the Distributed Model Intercomparison Project (DMIP), an international project sponsored by the National Weather Service (NWS) Office of Hydrologic Development (OHD). All of the multi-model combination results were obtained using uncalibrated DMIP model outputs and were compared against the best uncalibrated as well as the best calibrated individual model results. The purpose of this study is to understand how different combination techniquesmore » affect the skill levels of the multi-model predictions. This study revealed that the multi-model predictions obtained from uncalibrated single model predictions are generally better than any single member model predictions, even the best calibrated single model predictions. Furthermore, more sophisticated multi-model combination techniques that incorporated bias correction steps work better than simple multi-model average predictions or multi-model predictions without bias correction.« less

Applications to car bodies - Generalized layout design of three-dimensional shells

NASA Technical Reports Server (NTRS)

Fukushima, Junichi; Suzuki, Katsuyuki; Kikuchi, Noboru

1993-01-01

We shall describe applications of the homogenization method, formulated in Part 1, to design layout of car bodies represented by three-dimensional shell structures based on a multi-loading optimization.

Ultra-fast consensus of discrete-time multi-agent systems with multi-step predictive output feedback

NASA Astrophysics Data System (ADS)

Zhang, Wenle; Liu, Jianchang

2016-04-01

This article addresses the ultra-fast consensus problem of high-order discrete-time multi-agent systems based on a unified consensus framework. A novel multi-step predictive output mechanism is proposed under a directed communication topology containing a spanning tree. By predicting the outputs of a network several steps ahead and adding this information into the consensus protocol, it is shown that the asymptotic convergence factor is improved by a power of q + 1 compared to the routine consensus. The difficult problem of selecting the optimal control gain is solved well by introducing a variable called convergence step. In addition, the ultra-fast formation achievement is studied on the basis of this new consensus protocol. Finally, the ultra-fast consensus with respect to a reference model and robust consensus is discussed. Some simulations are performed to illustrate the effectiveness of the theoretical results.

Model predictive control design for polytopic uncertain systems by synthesising multi-step prediction scenarios

NASA Astrophysics Data System (ADS)

Lu, Jianbo; Xi, Yugeng; Li, Dewei; Xu, Yuli; Gan, Zhongxue

2018-01-01

A common objective of model predictive control (MPC) design is the large initial feasible region, low online computational burden as well as satisfactory control performance of the resulting algorithm. It is well known that interpolation-based MPC can achieve a favourable trade-off among these different aspects. However, the existing results are usually based on fixed prediction scenarios, which inevitably limits the performance of the obtained algorithms. So by replacing the fixed prediction scenarios with the time-varying multi-step prediction scenarios, this paper provides a new insight into improvement of the existing MPC designs. The adopted control law is a combination of predetermined multi-step feedback control laws, based on which two MPC algorithms with guaranteed recursive feasibility and asymptotic stability are presented. The efficacy of the proposed algorithms is illustrated by a numerical example.

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.

Interfacial complexation in microfluidic droplets for single-step fabrication of microcapsule

NASA Astrophysics Data System (ADS)

Kaufman, Gilad; Nejati, Siamak; Sarfati, Raphael; Boltyanskiy, Rostislav; Williams, Danielle; Liu, Wei; Schloss, Ashley; Regan, Lynn; Yan, Elsa; Dufrense, Eric; Loewenberg, Michael; Osuji, Chinedum

We present microfluidic interfacial complexation in emulsion droplets as a simple single-step approach for fabricating a large variety of stable monodisperse microcapsules with tailored mechanical properties, protein binding and controlled release behavior. We rely on electrostatic interactions and hydrogen bonding to direct the assembly of complementary species at oil-water droplet interfaces to form microcapsules with polyelectrolyte shells, composite polyelectrolyte-nanoparticle shells, and copolymer-nanofiber shells. Additionally, we demonstrate the formation of microcapsules by adsorption of an amphiphilic bacterial hydrophobin, BslA, at oil-in-water and water-in-oil droplets, and protein capture on these capsules using engineered variants of the hydrophobin. We discuss the composition dependence of mechanical properties, shell thickness and release behavior, and regimes of stability for microcapsule fabrication. Nanoparticle based microcapsules display an intriguing plastic deformation response which enables the formation of large aspect ratio asperities by pipette aspiration of the shell.

Titanium dioxide@polypyrrole core-shell nanowires for all solid-state flexible supercapacitors

NASA Astrophysics Data System (ADS)

Yu, Minghao; Zeng, Yinxiang; Zhang, Chong; Lu, Xihong; Zeng, Chenghui; Yao, Chenzhong; Yang, Yangyi; Tong, Yexiang

2013-10-01

Herein, we developed a facile two-step process to synthesize TiO2@PPy core-shell nanowires (NWs) on carbon cloth and reported their improved electrochemical performance for flexible supercapacitors (SCs). The fabricated solid-state SC device based on TiO2@PPy core-shell NWs not only has excellent flexibility, but also exhibits remarkable electrochemical performance.Herein, we developed a facile two-step process to synthesize TiO2@PPy core-shell nanowires (NWs) on carbon cloth and reported their improved electrochemical performance for flexible supercapacitors (SCs). The fabricated solid-state SC device based on TiO2@PPy core-shell NWs not only has excellent flexibility, but also exhibits remarkable electrochemical performance. Electronic supplementary information (ESI) available: Experimental details, XRD pattern, FT-IR absorption spectrum and CV curves of TiO2@PPy NWs, and SEM images of the PPy. See DOI: 10.1039/c3nr03578f

Electrosprayed core-shell polymer-lipid nanoparticles for active component delivery

NASA Astrophysics Data System (ADS)

Eltayeb, Megdi; Stride, Eleanor; Edirisinghe, Mohan

2013-11-01

A key challenge in the production of multicomponent nanoparticles for healthcare applications is obtaining reproducible monodisperse nanoparticles with the minimum number of preparation steps. This paper focus on the use of electrohydrodynamic (EHD) techniques to produce core-shell polymer-lipid structures with a narrow size distribution in a single step process. These nanoparticles are composed of a hydrophilic core for active component encapsulation and a lipid shell. It was found that core-shell nanoparticles with a tunable size range between 30 and 90 nm and a narrow size distribution could be reproducibly manufactured. The results indicate that the lipid component (stearic acid) stabilizes the nanoparticles against collapse and aggregation and improves entrapment of active components, in this case vanillin, ethylmaltol and maltol. The overall structure of the nanoparticles produced was examined by multiple methods, including transmission electron microscopy and differential scanning calorimetry, to confirm that they were of core-shell form.

Rotational band structure in Mg 32

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

Crawford, H. L.; Fallon, P.; Macchiavelli, A. O.

2016-03-01

There is significant evidence supporting the existence of deformed ground states within the neutron-rich N ≈ 20 neon, sodium, and magnesium isotopes that make up what is commonly called the “island of inversion.” However, the rotational band structures, which are a characteristic fingerprint of a rigid nonspherical shape, have yet to be observed. In this work, we report on a measurement and analysis of the yrast (lowest lying) rotational band in 32 Mg up to spin I = 6 + produced in a two-step projectile fragmentation reaction and observed using the state-of-the-art γ -ray tracking detector array, GRETINA ( γmore » -ray energy tracking in-beam nuclear array). Large-scale shell-model calculations using the SDPF-U-MIX effective interaction show excellent agreement with the new data. Moreover, a theoretical analysis of the spectrum of rotational states as a function of the pairing gap, together with cranked-shell-model calculations, provides intriguing evidence for a reduction in pairing correlations with increased angular momentum, also in line with the shell-model results.« less

Modeling of composite coupling technology for oil-gas pipeline section resource-saving repair

NASA Astrophysics Data System (ADS)

Donkova, Irina; Yakubovskiy, Yuriy; Kruglov, Mikhail

2017-10-01

The article presents a variant of modeling and calculation of a main pipeline repair section with a composite coupling installation. This section is presented in a shape of a composite cylindrical shell. The aim of this work is mathematical modeling and study of main pipeline reconstruction section stress-strain state (SSS). There has been given a description of a structure deformation mathematical model. Based on physical relations of elasticity, integral characteristics of rigidity for each layer of a two-layer pipe section have been obtained. With the help of the systems of forces and moments which affect the layers differential equations for the first and second layer (pipeline and coupling) have been obtained. The study of the SSS has been conducted using the statements and hypotheses of the composite structures deformation theory with consideration of interlayer joint stresses. The relations to describe the work of the joint have been stated. Boundary conditions for each layer have been formulated. To describe the deformation of the composite coupling with consideration of the composite cylindrical shells theory a mathematical model in the form of a system of differential equations in displacements and boundary conditions has been obtained. Calculation of a two-layer cylindrical shell under the action of an axisymmetric load has been accomplished.

Alloy and heterostructure architectures as promising tools for controlling electronic properties of semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Vaxenburg, Roman; Lifshitz, Efrat

2012-02-01

Tunability of energy levels and wavefunctions of carriers in colloidal quantum dots (CQDs) has a marked effect on numerous physical aspects, such as Coulomb interactions and charge separation, which in turn has a direct impact on the functioning of CQD-based opto-electronic devices. The electronic properties of CQDs are conventionally controlled by variation of their size. Here we demonstrate a theoretical approach to engineer the electronic properties of IV-VI CQDs by introducing an alloy composition in core and core/shell heterostructures, having the general chemical formula PbSexS1-x/PbSeyS1-y (0 ≤ x ≤ 1, 0 ≤ y ≤ 1), while maintaining a constant size. The theoretical model considered an effective mass anisotropy and smooth potential step at the core/shell interface. The model revealed the influence induced by variation of chemical composition and core-to-shell division on the band-gap energy, remote states’ density, internal charge separation, electron-hole Coulomb interaction, and optical transition oscillator strength.

CME Simulations with Boundary Conditions Derived from Multiple Viewpoints of STEREO

NASA Astrophysics Data System (ADS)

Singh, T.; Yalim, M. S.; Pogorelov, N. V.

2017-12-01

Coronal Mass Ejections (CMEs) are major drivers of extreme space weather conditions, which is a matter of huge concern for our modern technologically dependent society. Development of numerical approaches that would reproduce CME propagation through the interplanetary space is an important step towards our capability to predict CME arrival time at Earth and their geo-effectiveness. It is also important that CMEs are propagating through a realistic, data-driven background solar wind (SW). In this study, we use a version of the flux-rope-driven Gibson-Low (GL) model to simulate CMEs. We derive inner boundary conditions for the GL flux rope model using the Graduate Cylindrical Shell (GCS) method. This method uses viewpoints from STEREO A and B, and SOHO/LASCO coronagraphs to determine the size and orientation of a CME flux rope as it starts to erupt from Sun. A flux rope created this way is inserted into an SDO/HMI vector magnetogram driven SW background obtained with the Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS). Numerical results are compared with STEREO, SDO/AIA and SOHO/LASCO observations in particular in terms of the CME speed, acceleration and magnetic field structure.

Controllable synthesis of mesoporous multi-shelled ZnO microspheres as efficient photocatalysts for NO oxidation

NASA Astrophysics Data System (ADS)

Chen, Xiaolang; Zhang, Huiqiang; Zhang, Dieqing; Miao, Yingchun; Li, Guisheng

2018-03-01

The successful application of hierarchically porous structure in environmental treatment has provided new insights for solving environmental problems. Hierarchically structured semiconductor materials were considered as promising photocatalysts for NO oxidation in gas phase. Multi-shelled ZnO microspheres (MMSZ) were controllably shaped with hierarchically porous structures via a facile hydrothermal route using amino acid (N-Acetyl-D-Proline) as template and post-calcination treatment. Symmetric Ostwald ripening was used to explain the morphological evolution of hierarchical nanostructure. MMSZ was proved highly efficient for oxidizing NO (400 ppb) in gas phase under UV light irradiation with a much higher photocatalytic removal rate (77.3%) than that of the as-obtained ZnO crystals with other hierachically porous structures, owing to its higher photocurrent intensity. Such greatly enhanced photocatalytic activity can be assigned to the enhanced crystallinity of ZnO, mesopores and unique multi-shelled structure. Enhanced crystallinity promotes photogenerated charges under light irradiation. Mesoporous porosity can ensure enough light scattering between the shells. Multi-shelled structure endows ZnO with higher specific surface area and high frequency of multiple light reflection, resulting in more exposed active sites, higher light utilization efficiency, and fast separation efficiency of photogenerated charge carriers. The experimental results demonstrated that the photogenerated holes (h+) are the main active species. Hierarchically structured ZnO is not only contributed to directly use solar energy to solving various problems caused by atmospheric pollution, but also has potential applications in energy converse and storage including solar cells, lithium batteries, water-splitting, etc.

Multi-scale coarse-graining of non-conservative interactions in molecular liquids

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

Izvekov, Sergei, E-mail: sergiy.izvyekov.civ@mail.mil; Rice, Betsy M.

2014-03-14

A new bottom-up procedure for constructing non-conservative (dissipative and stochastic) interactions for dissipative particle dynamics (DPD) models is described and applied to perform hierarchical coarse-graining of a polar molecular liquid (nitromethane). The distant-dependent radial and shear frictions in functional-free form are derived consistently with a chosen form for conservative interactions by matching two-body force-velocity and three-body velocity-velocity correlations along the microscopic trajectories of the centroids of Voronoi cells (clusters), which represent the dissipative particles within the DPD description. The Voronoi tessellation is achieved by application of the K-means clustering algorithm at regular time intervals. Consistently with a notion of many-bodymore » DPD, the conservative interactions are determined through the multi-scale coarse-graining (MS-CG) method, which naturally implements a pairwise decomposition of the microscopic free energy. A hierarchy of MS-CG/DPD models starting with one molecule per Voronoi cell and up to 64 molecules per cell is derived. The radial contribution to the friction appears to be dominant for all models. As the Voronoi cell sizes increase, the dissipative forces rapidly become confined to the first coordination shell. For Voronoi cells of two and more molecules the time dependence of the velocity autocorrelation function becomes monotonic and well reproduced by the respective MS-CG/DPD models. A comparative analysis of force and velocity correlations in the atomistic and CG ensembles indicates Markovian behavior with as low as two molecules per dissipative particle. The models with one and two molecules per Voronoi cell yield transport properties (diffusion and shear viscosity) that are in good agreement with the atomistic data. The coarser models produce slower dynamics that can be appreciably attributed to unaccounted dissipation introduced by regular Voronoi re-partitioning as well as by larger numerical errors in mapping out the dissipative forces. The framework presented herein can be used to develop computational models of real liquids which are capable of bridging the atomistic and mesoscopic scales.« less

Direct Evidence of Significant Cation Intermixing in Upconverting Core@Shell Nanocrystals: Toward a New Crystallochemical Model

DOE PAGES

Hudry, Damien; Busko, Dmitry; Popescu, Radian; ...

2017-11-02

Core@shell design represents an important class of architectures because of its capability to dramatically increase the absolute upconversion quantum yield (UCQY) of upconverting nanocrystals (UCNCs) but also to tune energy migration pathways. A relatively new trend towards the use of very thick optically inert shells affording significantly higher absolute UCQYs raises the question of the crystallographic and chemical characteristics of such nanocrystals (NCs). In this article, local chemical analyses performed by scanning transmission electron microscopy (STEM) combined with energy dispersive x-ray spectroscopy (EDXS) and x-ray total scattering experiments together with pair distribution function (PDF) analyses were used to probe themore » local chemical and structural characteristics of hexagonal β-NaGd0.78Yb0.2Er0.02F4@NaYF4 core@shell UCNCs. The investigations lead to a new crystallochemical model to describe core@shell UCNCs that considerably digresses from the commonly accepted epitaxial growth concept with sharp interfaces. The results obtained on ultra-small (4.8 ± 0.5 nm) optically active cores (β-NaGd0.78Yb0.2Er0.02F4) surrounded by an optically inert shell (NaYF4) of tunable thickness (roughly 0, 1, 2, and 3.5 nm) clearly indicate the massive dissolution of the starting seeds and the inter-diffusion of the shell element (such as Y) into the Gd/Yb/Er-containing core giving rise to the formation of a non-homogeneous solid solution characterized by concentration gradients and the lack of sharp interfaces. Independently of the inert shell thickness, core/interface/shell architectures were observed for all synthesized UCNCs. The presented results constitute a significant step towards the comprehensive understanding of the “structure - property” relationship of upconverting core@shell architectures, which is of prime interest not only in the development of more efficient structures but also to provide new physical insights at the nanoscale to better explain upconversion (UC) properties alterations.« less

Direct Evidence of Significant Cation Intermixing in Upconverting Core@Shell Nanocrystals: Toward a New Crystallochemical Model

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

Hudry, Damien; Busko, Dmitry; Popescu, Radian

Core@shell design represents an important class of architectures because of its capability to dramatically increase the absolute upconversion quantum yield (UCQY) of upconverting nanocrystals (UCNCs) but also to tune energy migration pathways. A relatively new trend towards the use of very thick optically inert shells affording significantly higher absolute UCQYs raises the question of the crystallographic and chemical characteristics of such nanocrystals (NCs). In this article, local chemical analyses performed by scanning transmission electron microscopy (STEM) combined with energy dispersive x-ray spectroscopy (EDXS) and x-ray total scattering experiments together with pair distribution function (PDF) analyses were used to probe themore » local chemical and structural characteristics of hexagonal β-NaGd0.78Yb0.2Er0.02F4@NaYF4 core@shell UCNCs. The investigations lead to a new crystallochemical model to describe core@shell UCNCs that considerably digresses from the commonly accepted epitaxial growth concept with sharp interfaces. The results obtained on ultra-small (4.8 ± 0.5 nm) optically active cores (β-NaGd0.78Yb0.2Er0.02F4) surrounded by an optically inert shell (NaYF4) of tunable thickness (roughly 0, 1, 2, and 3.5 nm) clearly indicate the massive dissolution of the starting seeds and the inter-diffusion of the shell element (such as Y) into the Gd/Yb/Er-containing core giving rise to the formation of a non-homogeneous solid solution characterized by concentration gradients and the lack of sharp interfaces. Independently of the inert shell thickness, core/interface/shell architectures were observed for all synthesized UCNCs. The presented results constitute a significant step towards the comprehensive understanding of the “structure - property” relationship of upconverting core@shell architectures, which is of prime interest not only in the development of more efficient structures but also to provide new physical insights at the nanoscale to better explain upconversion (UC) properties alterations.« less

Mean-field and linear regime approach to magnetic hyperthermia of core-shell nanoparticles: can tiny nanostructures fight cancer?

NASA Astrophysics Data System (ADS)

Carrião, Marcus S.; Bakuzis, Andris F.

2016-04-01

The phenomenon of heat dissipation by magnetic materials interacting with an alternating magnetic field, known as magnetic hyperthermia, is an emergent and promising therapy for many diseases, mainly cancer. Here, a magnetic hyperthermia model for core-shell nanoparticles is developed. The theoretical calculation, different from previous models, highlights the importance of heterogeneity by identifying the role of surface and core spins on nanoparticle heat generation. We found that the most efficient nanoparticles should be obtained by selecting materials to reduce the surface to core damping factor ratio, increasing the interface exchange parameter and tuning the surface to core anisotropy ratio for each material combination. From our results we propose a novel heat-based hyperthermia strategy with the focus on improving the heating efficiency of small sized nanoparticles instead of larger ones. This approach might have important implications for cancer treatment and could help improving clinical efficacy.The phenomenon of heat dissipation by magnetic materials interacting with an alternating magnetic field, known as magnetic hyperthermia, is an emergent and promising therapy for many diseases, mainly cancer. Here, a magnetic hyperthermia model for core-shell nanoparticles is developed. The theoretical calculation, different from previous models, highlights the importance of heterogeneity by identifying the role of surface and core spins on nanoparticle heat generation. We found that the most efficient nanoparticles should be obtained by selecting materials to reduce the surface to core damping factor ratio, increasing the interface exchange parameter and tuning the surface to core anisotropy ratio for each material combination. From our results we propose a novel heat-based hyperthermia strategy with the focus on improving the heating efficiency of small sized nanoparticles instead of larger ones. This approach might have important implications for cancer treatment and could help improving clinical efficacy. Electronic supplementary information (ESI) available: Unit cells per region calculation; core-shell Hamiltonian; magnetisation description functions; energy argument of Brillouin function; polydisperse models; details of experimental procedure; LRT versus core-shell model; model calculation software; and shell thickness study. See DOI: 10.1039/C5NR09093H

Self-Regulated Strategy Development Instruction for Teaching Multi-Step Equations to Middle School Students Struggling in Math

ERIC Educational Resources Information Center

Cuenca-Carlino, Yojanna; Freeman-Green, Shaqwana; Stephenson, Grant W.; Hauth, Clara

2016-01-01

Six middle school students identified as having a specific learning disability or at risk for mathematical difficulties were taught how to solve multi-step equations by using the self-regulated strategy development (SRSD) model of instruction. A multiple-probe-across-pairs design was used to evaluate instructional effects. Instruction was provided…

Projected Shell Model Description of Positive Parity Band of 130Pr Nucleus

NASA Astrophysics Data System (ADS)

Singh, Suram; Kumar, Amit; Singh, Dhanvir; Sharma, Chetan; Bharti, Arun; Bhat, G. H.; Sheikh, J. A.

2018-02-01

Theoretical investigation of positive parity yrast band of odd-odd 130Pr nucleus is performed by applying the projected shell model. The present study is undertaken to investigate and verify the very recently observed side band in 130Pr theoretically in terms of quasi-particle (qp) configuration. From the analysis of band diagram, the yrast as well as side band are found to arise from two-qp configuration πh 11/2 ⊗ νh 11/2. The present calculations are viewed to have qualitatively reproduced the known experimental data for yrast states, transition energies, and B( M1) / B( E2) ratios of this nucleus. The recently observed positive parity side band is also reproduced by the present calculations. The energy states of the side band are predicted up to spin 25+, which is far above the known experimental spin of 18+ and this could serve as a motivational factor for future experiments. In addition, the reduced transition probability B( E2) for interband transitions has also been calculated for the first time in projected shell model, which would serve as an encouragement for other research groups in the future.

Modeling virus capsids and their protein binding -- the search for weak regions within the HIV capsid

NASA Astrophysics Data System (ADS)

Sankey, Otto; Benson, Daryn

2010-10-01

Viruses remain a threat to the health of humans worldwide with 33 million infected with AIDS. Viruses are ubiquitous infecting animals, plants, and bacteria. Each virus infects in its own unique manner making the problem seem intractable. However, some general physical steps apply to many viruses and the application of basic physical modeling can potentially have great impact. The aim of this theoretical study is to investigate the stability of the HIV viral capsid (protein shell). The structural shell can be compromised by physical probes such as pulsed laser light. But what are the weakest regions of the capsid so that we can begin to understand vulnerabilities of these deadly materials? The atomic structure of HIV capsids is not precisely known and we begin by describing our work to model the capsid structure. Next we describe a course grained model to investigate protein interactions within the capsid.

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

PubMed

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

2018-03-30

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

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

PubMed Central

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

2018-01-01

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

On demand manufacturing of patient-specific liquid capsules via co-ordinated 3D printing and liquid dispensing.

PubMed

Okwuosa, Tochukwu C; Soares, Cindy; Gollwitzer, Verena; Habashy, Rober; Timmins, Peter; Alhnan, Mohamed A

2018-06-15

A method for the production of liquid capsules with the potential of modifying drug dose and release is presented. For the first time, the co-ordinated use of fused deposition modelling (FDM), 3D printing and liquid dispensing to fabricate individualised dosage form on demand in a fully automated fashion has been demonstrated. Polymethacrylate shells (Eudragit EPO and RL) for immediate and extended release were fabricated using FDM 3D printing and simultaneously filled using a computer-controlled liquid dispenser loaded with model drug solution (theophylline) or suspension (dipyridamole). The impact of printing modes: simultaneous shell printing and filling (single-phase) or sequential 3D printing of shell bottom, filling and shell cap (multi-phase), nozzle size, syringe volume, and shell structure has been reported. The use of shell thickness of 1.6 mm, and concentric architecture allowed successful containment of liquid core whilst maintaining the release properties of the 3D printed liquid capsule. The linear relationship between the theoretical and the actual volumes from the dispenser reflected its potential for accurate dosing (R 2  = 0.9985). Modifying the shell thickness of Eudragit RL capsule allowed a controlled extended drug release without the need for formulation change. Owing to its low cost and versatility, this approach can be adapted to wide spectrum of liquid formulations such as small and large molecule solutions and obviate the need for compatibility with the high temperature of FDM 3D printing process. In a clinical setting, health care staff will be able to instantly manufacture in small volumes liquid capsules with individualised dose contents and release pattern in response to specific patient's needs. Copyright © 2018 Elsevier B.V. All rights reserved.

Baseline process description for simulating plutonium oxide production for precalc project

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

Pike, J. A.

Savannah River National Laboratory (SRNL) started a multi-year project, the PreCalc Project, to develop a computational simulation of a plutonium oxide (PuO 2) production facility with the objective to study the fundamental relationships between morphological and physicochemical properties. This report provides a detailed baseline process description to be used by SRNL personnel and collaborators to facilitate the initial design and construction of the simulation. The PreCalc Project team selected the HB-Line Plutonium Finishing Facility as the basis for a nominal baseline process since the facility is operational and significant model validation data can be obtained. The process boundary as wellmore » as process and facility design details necessary for multi-scale, multi-physics models are provided.« less

Mixed valent metals

NASA Astrophysics Data System (ADS)

Riseborough, P. S.; Lawrence, J. M.

2016-08-01

We review the theory of mixed-valent metals and make comparison with experiments. A single-impurity description of the mixed-valent state is discussed alongside the description of the nearly-integer valent or Kondo limit. The degeneracy N of the f-shell plays an important role in the description of the low-temperature Fermi-liquid state. In particular, for large N, there is a rapid cross-over between the mixed-valent and the Kondo limit when the number of f electrons is changed. We discuss the limitations on the application of the single-impurity description to concentrated compounds such as those caused by the saturation of the Kondo effect and those due to the presence of magnetic interactions between the impurities. This discussion is followed by a description of a periodic lattice of mixed-valent ions, including the role of the degeneracy N. The article concludes with a comparison of theory and experiment. Topics covered include the single-impurity Anderson model, Luttinger’s theorem, the Friedel sum rule, the Schrieffer-Wolff transformation, the single-impurity Kondo model, Kondo screening, the Wilson ratio, local Fermi-liquids, Fermi-liquid sum rules, the Noziéres exhaustion principle, Doniach’s diagram, the Anderson lattice model, the Slave-Boson method, etc.

Mixed valent metals

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

Riseborough, P. S.; Lawrence, Jon M.

Here, we review the theory of mixed-valent metals and make comparison with experiments. A single-impurity description of the mixed-valent state is discussed alongside the description of the nearly-integer valent or Kondo limit. The degeneracy N of the f-shell plays an important role in the description of the low-temperature Fermi-liquid state. In particular, for large N, there is a rapid cross-over between the mixed-valent and the Kondo limit when the number of f electrons is changed. We discuss the limitations on the application of the single-impurity description to concentrated compounds such as those caused by the saturation of the Kondo effectmore » and those due to the presence of magnetic interactions between the impurities. This discussion is followed by a description of a periodic lattice of mixed-valent ions, including the role of the degeneracy N. The article concludes with a comparison of theory and experiment. Topics covered include the single-impurity Anderson model, Luttinger's theorem, the Friedel sum rule, the Schrieffer–Wolff transformation, the single-impurity Kondo model, Kondo screening, the Wilson ratio, local Fermi-liquids, Fermi-liquid sum rules, the Nozieres exhaustion principle, Doniach's diagram, the Anderson lattice model, the Slave-Boson method, etc.« less

Mixed valent metals

DOE PAGES

Riseborough, P. S.; Lawrence, Jon M.

2016-07-04

Here, we review the theory of mixed-valent metals and make comparison with experiments. A single-impurity description of the mixed-valent state is discussed alongside the description of the nearly-integer valent or Kondo limit. The degeneracy N of the f-shell plays an important role in the description of the low-temperature Fermi-liquid state. In particular, for large N, there is a rapid cross-over between the mixed-valent and the Kondo limit when the number of f electrons is changed. We discuss the limitations on the application of the single-impurity description to concentrated compounds such as those caused by the saturation of the Kondo effectmore » and those due to the presence of magnetic interactions between the impurities. This discussion is followed by a description of a periodic lattice of mixed-valent ions, including the role of the degeneracy N. The article concludes with a comparison of theory and experiment. Topics covered include the single-impurity Anderson model, Luttinger's theorem, the Friedel sum rule, the Schrieffer–Wolff transformation, the single-impurity Kondo model, Kondo screening, the Wilson ratio, local Fermi-liquids, Fermi-liquid sum rules, the Nozieres exhaustion principle, Doniach's diagram, the Anderson lattice model, the Slave-Boson method, etc.« less

Development of magneto-plasmonic nanoparticles for multimodal image-guided therapy to the brain.

PubMed

Tomitaka, Asahi; Arami, Hamed; Raymond, Andrea; Yndart, Adriana; Kaushik, Ajeet; Jayant, Rahul Dev; Takemura, Yasushi; Cai, Yong; Toborek, Michal; Nair, Madhavan

2017-01-05

Magneto-plasmonic nanoparticles are one of the emerging multi-functional materials in the field of nanomedicine. Their potential for targeting and multi-modal imaging is highly attractive. In this study, magnetic core/gold shell (MNP@Au) magneto-plasmonic nanoparticles were synthesized by citrate reduction of Au ions on magnetic nanoparticle seeds. Hydrodynamic size and optical properties of magneto-plasmonic nanoparticles synthesized with the variation of Au ions and reducing agent concentrations were evaluated. The synthesized magneto-plasmonic nanoparticles exhibited superparamagnetic properties, and their magnetic properties contributed to the concentration-dependent contrast in magnetic resonance imaging (MRI). The imaging contrast from the gold shell part of the magneto-plasmonic nanoparticles was also confirmed by X-ray computed tomography (CT). The transmigration study of the magneto-plasmonic nanoparticles using an in vitro blood-brain barrier (BBB) model proved enhanced transmigration efficiency without disrupting the integrity of the BBB, and showed potential to be used for brain diseases and neurological disorders.

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

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

Probing the Single-Particle Character of Rotational States in F 19 Using a Short-Lived Isomeric Beam

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

Santiago-Gonzalez, D.; Auranen, K.; Avila, M. L.

2018-03-01

A beam containing a substantial component of both the J(pi) = 5(+), T-1/2 = 162 ns isomeric state of F-18 and its 1(+), 109.77-min ground state is utilized to study members of the ground-state rotational band in F-19 through the neutron transfer reaction (d,p) in inverse kinematics. The resulting spectroscopic strengths confirm the single-particle nature of the 13/2(+) band-terminating state. The agreement between shell-model calculations using an interaction constructed within the sd shell, and our experimental results reinforces the idea of a single-particle-collective duality in the descriptions of the structure of atomic nuclei.

Are Physics-Based Simulators Ready for Prime Time? Comparisons of RSQSim with UCERF3 and Observations.

NASA Astrophysics Data System (ADS)

Milner, K. R.; Shaw, B. E.; Gilchrist, J. J.; Jordan, T. H.

2017-12-01

Probabilistic seismic hazard analysis (PSHA) is typically performed by combining an earthquake rupture forecast (ERF) with a set of empirical ground motion prediction equations (GMPEs). ERFs have typically relied on observed fault slip rates and scaling relationships to estimate the rate of large earthquakes on pre-defined fault segments, either ignoring or relying on expert opinion to set the rates of multi-fault or multi-segment ruptures. Version 3 of the Uniform California Earthquake Rupture Forecast (UCERF3) is a significant step forward, replacing expert opinion and fault segmentation with an inversion approach that matches observations better than prior models while incorporating multi-fault ruptures. UCERF3 is a statistical model, however, and doesn't incorporate the physics of earthquake nucleation, rupture propagation, and stress transfer. We examine the feasibility of replacing UCERF3, or components therein, with physics-based rupture simulators such as the Rate-State Earthquake Simulator (RSQSim), developed by Dieterich & Richards-Dinger (2010). RSQSim simulations on the UCERF3 fault system produce catalogs of seismicity that match long term rates on major faults, and produce remarkable agreement with UCERF3 when carried through to PSHA calculations. Averaged over a representative set of sites, the RSQSim-UCERF3 hazard-curve differences are comparable to the small differences between UCERF3 and its predecessor, UCERF2. The hazard-curve agreement between the empirical and physics-based models provides substantial support for the PSHA methodology. RSQSim catalogs include many complex multi-fault ruptures, which we compare with the UCERF3 rupture-plausibility metrics as well as recent observations. Complications in generating physically plausible kinematic descriptions of multi-fault ruptures have thus far prevented us from using UCERF3 in the CyberShake physics-based PSHA platform, which replaces GMPEs with deterministic ground motion simulations. RSQSim produces full slip/time histories that can be directly implemented as sources in CyberShake, without relying on the conditional hypocenter and slip distributions needed for the UCERF models. We also compare RSQSim with time-dependent PSHA calculations based on multi-fault renewal models.

Spectral and Atomic Physics Analysis of Xenon L-Shell Emission From High Energy Laser Produced Plasmas

NASA Astrophysics Data System (ADS)

Thorn, Daniel; Kemp, G. E.; Widmann, K.; Benjamin, R. D.; May, M. J.; Colvin, J. D.; Barrios, M. A.; Fournier, K. B.; Liedahl, D.; Moore, A. S.; Blue, B. E.

2016-10-01

The spectrum of the L-shell (n =2) radiation in mid to high-Z ions is useful for probing plasma conditions in the multi-keV temperature range. Xenon in particular with its L-shell radiation centered around 4.5 keV is copiously produced from plasmas with electron temperatures in the 5-10 keV range. We report on a series of time-resolved L-shell Xe spectra measured with the NIF X-ray Spectrometer (NXS) in high-energy long-pulse (>10 ns) laser produced plasmas at the National Ignition Facility. The resolving power of the NXS is sufficiently high (E/ ∂E >100) in the 4-5 keV spectral band that the emission from different charge states is observed. An analysis of the time resolved L-shell spectrum of Xe is presented along with spectral modeling by detailed radiation transport and atomic physics from the SCRAM code and comparison with predictions from HYDRA a radiation-hydrodynamics code with inline atomic-physics from CRETIN. This work was performed under the auspices of the U.S. Department of Energy by LLNL under Contract DE-AC52-07NA27344.

Electron correlations and pre-collision in the re-collision picture of high harmonic generation

NASA Astrophysics Data System (ADS)

Mašín, Zdeněk; Harvey, Alex G.; Spanner, Michael; Patchkovskii, Serguei; Ivanov, Misha; Smirnova, Olga

2018-07-01

We discuss the seminal three-step model and the re-collision picture in the context of high harmonic generation in molecules. In particular, we stress the importance of multi-electron correlation during the first and the third of the three steps of the process: (1) the strong-field ionization and (3) the recombination. We point out how an accurate account of multi-electron correlations during the third recombination step allows one to gauge the importance of pre-collision: the term coined by Eberly (n.d. private communication) to describe unusual pathways during the first, ionization, step.

Step-By-Step Instructions for Retina Recordings with Perforated Multi Electrode Arrays

PubMed Central

Idrees, Saad; Mutter, Marion; Benkner, Boris; Münch, Thomas A.

2014-01-01

Multi-electrode arrays are a state-of-the-art tool in electrophysiology, also in retina research. The output cells of the retina, the retinal ganglion cells, form a monolayer in many species and are well accessible due to their proximity to the inner retinal surface. This structure has allowed the use of multi-electrode arrays for high-throughput, parallel recordings of retinal responses to presented visual stimuli, and has led to significant new insights into retinal organization and function. However, using conventional arrays where electrodes are embedded into a glass or ceramic plate can be associated with three main problems: (1) low signal-to-noise ratio due to poor contact between electrodes and tissue, especially in the case of strongly curved retinas from small animals, e.g. rodents; (2) insufficient oxygen and nutrient supply to cells located on the bottom of the recording chamber; and (3) displacement of the tissue during recordings. Perforated multi-electrode arrays (pMEAs) have been found to alleviate all three issues in brain slice recordings. Over the last years, we have been using such perforated arrays to study light evoked activity in the retinas of various species including mouse, pig, and human. In this article, we provide detailed step-by-step instructions for the use of perforated MEAs to record visual responses from the retina, including spike recordings from retinal ganglion cells and in vitro electroretinograms (ERG). In addition, we provide in-depth technical and methodological troubleshooting information, and show example recordings of good quality as well as examples for the various problems which might be encountered. While our description is based on the specific equipment we use in our own lab, it may also prove useful when establishing retinal MEA recordings with other equipment. PMID:25165854

Simulating the Response of a Composite Honeycomb Energy Absorber. Part 1; Dynamic Crushing of Components and Multi-Terrain Impacts

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Polanco, Michael A.

2012-01-01

This paper describes the experimental and analytical evaluation of an externally deployable composite honeycomb structure that is designed to attenuate impact energy during helicopter crashes. The concept, designated the Deployable Energy Absorber (DEA), utilizes an expandable Kevlar (Registered Trademark) honeycomb to dissipate kinetic energy through crushing. The DEA incorporates a unique flexible hinge design that allows the honeycomb to be packaged and stowed until needed for deployment. Experimental evaluation of the DEA included dynamic crush tests of multi-cell components and vertical drop tests of a composite fuselage section, retrofitted with DEA blocks, onto multi-terrain. Finite element models of the test articles were developed and simulations were performed using the transient dynamic code, LSDYNA (Registered Trademark). In each simulation, the DEA was represented using shell elements assigned two different material properties: Mat 24, an isotropic piecewise linear plasticity model, and Mat 58, a continuum damage mechanics model used to represent laminated composite fabrics. DEA model development and test-analysis comparisons are presented.

Discontinuous functional for linear-response time-dependent density-functional theory: The exact-exchange kernel and approximate forms

NASA Astrophysics Data System (ADS)

Hellgren, Maria; Gross, E. K. U.

2013-11-01

We present a detailed study of the exact-exchange (EXX) kernel of time-dependent density-functional theory with an emphasis on its discontinuity at integer particle numbers. It was recently found that this exact property leads to sharp peaks and step features in the kernel that diverge in the dissociation limit of diatomic systems [Hellgren and Gross, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.85.022514 85, 022514 (2012)]. To further analyze the discontinuity of the kernel, we here make use of two different approximations to the EXX kernel: the Petersilka Gossmann Gross (PGG) approximation and a common energy denominator approximation (CEDA). It is demonstrated that whereas the PGG approximation neglects the discontinuity, the CEDA includes it explicitly. By studying model molecular systems it is shown that the so-called field-counteracting effect in the density-functional description of molecular chains can be viewed in terms of the discontinuity of the static kernel. The role of the frequency dependence is also investigated, highlighting its importance for long-range charge-transfer excitations as well as inner-shell excitations.

Spin alignment following inelastic scattering of 17Ne, lifetime of 16F, and its constraint on the continuum coupling strength

NASA Astrophysics Data System (ADS)

Charity, R. J.; Brown, K. W.; Okołowicz, J.; Płoszajczak, M.; Elson, J. M.; Reviol, W.; Sobotka, L. G.; Buhro, W. W.; Chajecki, Z.; Lynch, W. G.; Manfredi, J.; Shane, R.; Showalter, R. H.; Tsang, M. B.; Weisshaar, D.; Winkelbauer, J. R.; Bedoor, S.; Wuosmaa, A. H.

2018-05-01

The sequential two-proton decay of the second excited state in 17Ne, produced by inelastic excitation at intermediate energy, is studied. This state is found to be highly spin aligned, providing another example of a recently discovered alignment mechanism. The fortuitous condition that the second decay step is slightly more energetic than the first, permits the lifetime of the one-proton daughter, the ground state of 16F, to be determined from the magnitude of the final-state interactions between the protons. This new method gave a result [Γ =20.6 (57 ) keV] consistent with that obtained by directly measuring the width of the state [Γ =21.3 (51 ) keV]. This width allows one to determine the continuum coupling constant in this mass region. Real-energy continuum-shell-model studies yield a satisfactory description of both spectra and widths of low-energy resonances in 16F and suggest an unusual large ratio of proton-proton to proton-neutron continuum couplings in the vicinity of the proton drip line.

Analysis, Design and Optimization of Non-Cylindrical Fuselage for Blended-Wing-Body (BWB) Vehicle

NASA Technical Reports Server (NTRS)

Mukhopadhyay, V.; Sobieszczanski-Sobieski, J.; Kosaka, I.; Quinn, G.; Charpentier, C.

2002-01-01

Initial results of an investigation towards finding an efficient non-cylindrical fuselage configuration for a conceptual blended-wing-body flight vehicle were presented. A simplified 2-D beam column analysis and optimization was performed first. Then a set of detailed finite element models of deep sandwich panel and ribbed shell construction concepts were analyzed and optimized. Generally these concepts with flat surfaces were found to be structurally inefficient to withstand internal pressure and resultant compressive loads simultaneously. Alternatively, a set of multi-bubble fuselage configuration concepts were developed for balancing internal cabin pressure load efficiently, through membrane stress in inner-stiffened shell and inter-cabin walls. An outer-ribbed shell was designed to prevent buckling due to external resultant compressive loads. Initial results from finite element analysis appear to be promising. These concepts should be developed further to exploit their inherent structurally efficiency.

Inner-shell Ionization With Relativistic Corrections By Electron Impact

NASA Astrophysics Data System (ADS)

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

2007-06-01

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

Exact solution of mean-field plus an extended T = 1 nuclear pairing Hamiltonian in the seniority-zero symmetric subspace

NASA Astrophysics Data System (ADS)

Pan, Feng; Ding, Xiaoxue; Launey, Kristina D.; Dai, Lianrong; Draayer, Jerry P.

2018-05-01

An extended pairing Hamiltonian that describes multi-pair interactions among isospin T = 1 and angular momentum J = 0 neutron-neutron, proton-proton, and neutron-proton pairs in a spherical mean field, such as the spherical shell model, is proposed based on the standard T = 1 pairing formalism. The advantage of the model lies in the fact that numerical solutions within the seniority-zero symmetric subspace can be obtained more easily and with less computational time than those calculated from the mean-field plus standard T = 1 pairing model. Thus, large-scale calculations within the seniority-zero symmetric subspace of the model is feasible. As an example of the application, the average neutron-proton interaction in even-even N ∼ Z nuclei that can be suitably described in the f5 pg9 shell is estimated in the present model, with a focus on the role of np-pairing correlations.

Multi-Shell Hollow Nanogels with Responsive Shell Permeability

PubMed Central

Schmid, Andreas J.; Dubbert, Janine; Rudov, Andrey A.; Pedersen, Jan Skov; Lindner, Peter; Karg, Matthias; Potemkin, Igor I.; Richtering, Walter

2016-01-01

We report on hollow shell-shell nanogels with two polymer shells that have different volume phase transition temperatures. By means of small angle neutron scattering (SANS) employing contrast variation and molecular dynamics (MD) simulations we show that hollow shell-shell nanocontainers are ideal systems for controlled drug delivery: The temperature responsive swelling of the inner shell controls the uptake and release, while the thermoresponsive swelling of the outer shell controls the size of the void and the colloidal stability. At temperatures between 32 °C < T < 42 °C, the hollow nanocontainers provide a significant void, which is even larger than the initial core size of the template, and they possess a high colloidal stability due to the steric stabilization of the swollen outer shell. Computer simulations showed, that temperature induced switching of the permeability of the inner shell allows for the encapsulation in and release of molecules from the cavity. PMID:26984478

Heterozygosity and fitness: No strong association in Great Lakes populations of the zebra mussel, Dreissena Polymorpha (Pallas)

USGS Publications Warehouse

Lewis, K.M.; Feder, J.L.; Horvath, T.G.; Lamberti, G.A.

2000-01-01

A number of studies have found positive associations between allozyme heterozygosity and fitness surrogates (e.g., body size and growth rate) for marine molluscs. We investigated whether similar relationships exist for freshwater populations of the zebra mussel, Dreissena polymorpha. Only one significant correlation between multi-locus heterozygosity and shell length was observed for a total of 22 D. polymorpha populations surveyed from midwestern U.S.A. lakes and streams, and the result was not significant on a table-wide basis. Meta-analysis revealed a significant common correlation coefficient (effect magnitude) between multi-locus heterozygosity and shell length across all 22 sites (rc = 0.052, P = 0.019, 1557 df). However, the variance in shell length explained by multi-locus heterozygosity was small (rc2 = 0.0027), implying a weak causal relationship if any. Also, we saw no relationship between heterozygosity and growth rate in a one-year field enclosure experiment. A significant heterozygosity-shell length correlation previously reported for a zebra mussel population at Put-in-Bay, Lake Erie, Ohio, may have been the product of unique population dynamics, rather than natural selection. Similar demographic considerations may contribute to inconsistencies in heterozygosity-fitness correlations seen for other molluscs.

Progress in the synthesis and characterization of magnetite nanoparticles with amino groups on the surface

NASA Astrophysics Data System (ADS)

Durdureanu-Angheluta, A.; Dascalu, A.; Fifere, A.; Coroaba, A.; Pricop, L.; Chiriac, H.; Tura, V.; Pinteala, M.; Simionescu, B. C.

2012-05-01

This manuscript deals with the synthesis of new hydrophilic magnetite particles by employing a two-step method: in the first step magnetite particles with hydrophobic shell formed in presence of oleic acid-oleylamine complex through a synthesis in mass, without solvent, in a mortar with pestle were obtained; while in the second step the hydrophobic shell was interchanged with an aminosilane monomer. The influence of the Fe2+/Fe3+ molar ratio on the dimension of the particles of high importance for their potential applications was carefully investigated. This paper, also presents an alternative method of synthesis of new core-shell magnetite particles and the complete study of their structure and morphology by FT-IR, XPS, TGA, ESEM and TEM techniques. The rheological properties and magnetization analysis of high importance for magnetic particles were also investigated.

Blended-Wing-Body (BWB) Fuselage Structural Design for Weight Reduction

NASA Technical Reports Server (NTRS)

Mukhopadhyay, V.

2005-01-01

Structural analysis and design of efficient pressurized fuselage configurations for the advanced Blended-Wing-Body (BWB) flight vehicle is a challenging problem. Unlike a conventional cylindrical pressurized fuselage, stress level in a box type BWB fuselage is an order of magnitude higher, because internal pressure primarily results in bending stress instead of skin-membrane stress. In addition, resulting deformation of aerodynamic surface could significantly affect performance advantages provided by lifting body. The pressurized composite conformal multi-lobe tanks of X-33 type space vehicle also suffered from similar problem. In the earlier BWB design studies, Vaulted Ribbed Shell (VLRS), Flat Ribbed Shell (FRS); Vaulted shell Honeycomb Core (VLHC) and Flat sandwich shell Honeycomb Core (FLHC) concepts were studied. The flat and vaulted ribbed shell concepts were found most efficient. In a recent study, a set of composite sandwich panel and cross-ribbed panel were analyzed. Optimal values of rib and skin thickness, rib spacing, and panel depth were obtained for minimal weight under stress and buckling constraints. In addition, a set of efficient multi-bubble fuselage (MBF) configuration concept was developed. The special geometric configuration of this concept allows for balancing internal cabin pressure load efficiently, through membrane stress in inner-stiffened shell and inter-cabin walls, while the outer-ribbed shell prevents buckling due to external resultant compressive loads. The initial results from these approximate finite element analyses indicate progressively lower maximum stresses and deflections compared to the earlier study. However, a relative comparison of the FEM weight per unit floor area of the segment unit indicates that the unit weights are still relatively higher that the conventional B777 type cylindrical or A380 type elliptic fuselage design. Due to the manufacturing concern associated with multi-bubble fuselage, a Y braced box-type fuselage alternative with special resin-film injected (RFI) stitched carbon composite with foam-core was designed by Boeing under a NASA research contract for the 480 passenger version. It is shown that this configuration can be improved to a modified multi-bubble fuselage which has better stress distribution, for same material and dimension.

Efficient photocatalytic degradation of malachite green dye under visible irradiation by water soluble ZnS:Mn/ZnS core/shell nanoparticles

NASA Astrophysics Data System (ADS)

Khaparde, Rohini A.; Acharya, Smita A.

2018-05-01

ZnS:Mn/ ZnS core/shell nanoparticles was prepared by two step synthesis method. In first step, oleic acid - coated Mn doped ZnS core nanoparticles were prepared which were charged through ligand exchange. Shell of ZnS NPs was finally deposited upon the surface of charged Mn doped ZnS core. Scanning electron microscopy (SEM) image exhibit morphological confirmation of ZnS:Mn/ZnS core/shell. As Nano ZnS are the most suitable candidates for photocatalyst that extensively involved in degradation and complete mineralization of various toxic organic pollutants owing to its high efficiency, strong oxidizing power, non-toxicity, high photochemical and biological stability, corrosive resistance and low cost. Photodegradation of malachite green is systematically investigated by adding different molar proportional of ZnS:Mn/ZnS core/shell in the dye. The rate of de-coloration of dye is detected by UV-VIS absorption spectroscopy. Efficient detoriation in the colour of dye is attributed to the core /shell morphology of the particles.

A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity.

PubMed

Reimers, Jeffrey R; McKemmish, Laura K; McKenzie, Ross H; Hush, Noel S

2015-10-14

While diabatic approaches are ubiquitous for the understanding of electron-transfer reactions and have been mooted as being of general relevance, alternate applications have not been able to unify the same wide range of observed spectroscopic and kinetic properties. The cause of this is identified as the fundamentally different orbital configurations involved: charge-transfer phenomena involve typically either 1 or 3 electrons in two orbitals whereas most reactions are typically closed shell. As a result, two vibrationally coupled electronic states depict charge-transfer scenarios whereas three coupled states arise for closed-shell reactions of non-degenerate molecules and seven states for the reactions implicated in the aromaticity of benzene. Previous diabatic treatments of closed-shell processes have considered only two arbitrarily chosen states as being critical, mapping these states to those for electron transfer. We show that such effective two-state diabatic models are feasible but involve renormalized electronic coupling and vibrational coupling parameters, with this renormalization being property dependent. With this caveat, diabatic models are shown to provide excellent descriptions of the spectroscopy and kinetics of the ammonia inversion reaction, proton transfer in N2H7(+), and aromaticity in benzene. This allows for the development of a single simple theory that can semi-quantitatively describe all of these chemical phenomena, as well as of course electron-transfer reactions. It forms a basis for understanding many technologically relevant aspects of chemical reactions, condensed-matter physics, chemical quantum entanglement, nanotechnology, and natural or artificial solar energy capture and conversion.

Bereday and Hilker: Origins of the "Four Steps of Comparison" Model

ERIC Educational Resources Information Center

Adick, Christel

2018-01-01

The article draws attention to the forgotten ancestry of the "four steps of comparison" model (description--interpretation--juxtaposition--comparison). Comparativists largely attribute this to George Z. F. Bereday [1964. "Comparative Method in Education." New York: Holt, Rinehart and Winston], but among German scholars, it is…

System-Wide Water Resources Program Nutrient Sub-Model (SWWRP-NSM) Version 1.1

DTIC Science & Technology

2008-09-01

species including crops, native grasses, and trees . The process descriptions utilize a single plant growth model to simulate all types of land covers...characteristics: • Multi- species , multi-phase, and multi-reaction system • Fast (equilibrium-based) and slow (non-equilibrium-based or rate- based...Transformation and loading of N and P species in the overland flow • Simulation of the N and P cycle in the water column (both overland and

Hazard interactions and interaction networks (cascades) within multi-hazard methodologies

NASA Astrophysics Data System (ADS)

Gill, Joel C.; Malamud, Bruce D.

2016-08-01

This paper combines research and commentary to reinforce the importance of integrating hazard interactions and interaction networks (cascades) into multi-hazard methodologies. We present a synthesis of the differences between multi-layer single-hazard approaches and multi-hazard approaches that integrate such interactions. This synthesis suggests that ignoring interactions between important environmental and anthropogenic processes could distort management priorities, increase vulnerability to other spatially relevant hazards or underestimate disaster risk. In this paper we proceed to present an enhanced multi-hazard framework through the following steps: (i) description and definition of three groups (natural hazards, anthropogenic processes and technological hazards/disasters) as relevant components of a multi-hazard environment, (ii) outlining of three types of interaction relationship (triggering, increased probability, and catalysis/impedance), and (iii) assessment of the importance of networks of interactions (cascades) through case study examples (based on the literature, field observations and semi-structured interviews). We further propose two visualisation frameworks to represent these networks of interactions: hazard interaction matrices and hazard/process flow diagrams. Our approach reinforces the importance of integrating interactions between different aspects of the Earth system, together with human activity, into enhanced multi-hazard methodologies. Multi-hazard approaches support the holistic assessment of hazard potential and consequently disaster risk. We conclude by describing three ways by which understanding networks of interactions contributes to the theoretical and practical understanding of hazards, disaster risk reduction and Earth system management. Understanding interactions and interaction networks helps us to better (i) model the observed reality of disaster events, (ii) constrain potential changes in physical and social vulnerability between successive hazards, and (iii) prioritise resource allocation for mitigation and disaster risk reduction.

Multi-scale modeling of diffusion-controlled reactions in polymers: renormalisation of reactivity parameters.

PubMed

Everaers, Ralf; Rosa, Angelo

2012-01-07

The quantitative description of polymeric systems requires hierarchical modeling schemes, which bridge the gap between the atomic scale, relevant to chemical or biomolecular reactions, and the macromolecular scale, where the longest relaxation modes occur. Here, we use the formalism for diffusion-controlled reactions in polymers developed by Wilemski, Fixman, and Doi to discuss the renormalisation of the reactivity parameters in polymer models with varying spatial resolution. In particular, we show that the adjustments are independent of chain length. As a consequence, it is possible to match reactions times between descriptions with different resolution for relatively short reference chains and to use the coarse-grained model to make quantitative predictions for longer chains. We illustrate our results by a detailed discussion of the classical problem of chain cyclization in the Rouse model, which offers the simplest example of a multi-scale descriptions, if we consider differently discretized Rouse models for the same physical system. Moreover, we are able to explore different combinations of compact and non-compact diffusion in the local and large-scale dynamics by varying the embedding dimension.

Alternating-Offers Protocol for Multi-issue Bilateral Negotiation in Semantic-Enabled Marketplaces

NASA Astrophysics Data System (ADS)

Ragone, Azzurra; di Noia, Tommaso; di Sciascio, Eugenio; Donini, Francesco M.

We present a semantic-based approach to multi-issue bilateral negotiation for e-commerce. We use Description Logics to model advertisements, and relations among issues as axioms in a TBox. We then introduce a logic-based alternating-offers protocol, able to handle conflicting information, that merges non-standard reasoning services in Description Logics with utility thoery to find the most suitable agreements. We illustrate and motivate the theoretical framework, the logical language, and the negotiation protocol.

CAD-based Automatic Modeling Method for Geant4 geometry model Through MCAM

NASA Astrophysics Data System (ADS)

Wang, Dong; Nie, Fanzhi; Wang, Guozhong; Long, Pengcheng; LV, Zhongliang; LV, Zhongliang

2014-06-01

Geant4 is a widely used Monte Carlo transport simulation package. Before calculating using Geant4, the calculation model need be established which could be described by using Geometry Description Markup Language (GDML) or C++ language. However, it is time-consuming and error-prone to manually describe the models by GDML. Automatic modeling methods have been developed recently, but there are some problem existed in most of present modeling programs, specially some of them were not accurate or adapted to specifically CAD format. To convert the GDML format models to CAD format accurately, a Geant4 Computer Aided Design (CAD) based modeling method was developed for automatically converting complex CAD geometry model into GDML geometry model. The essence of this method was dealing with CAD model represented with boundary representation (B-REP) and GDML model represented with constructive solid geometry (CSG). At first, CAD model was decomposed to several simple solids which had only one close shell. And then the simple solid was decomposed to convex shell set. Then corresponding GDML convex basic solids were generated by the boundary surfaces getting from the topological characteristic of a convex shell. After the generation of these solids, GDML model was accomplished with series boolean operations. This method was adopted in CAD/Image-based Automatic Modeling Program for Neutronics & Radiation Transport (MCAM), and tested with several models including the examples in Geant4 install package. The results showed that this method could convert standard CAD model accurately, and can be used for Geant4 automatic modeling.

Advances in ultrasonic testing of austenitic stainless steel welds. Towards a 3D description of the material including attenuation and optimisation by inversion

NASA Astrophysics Data System (ADS)

Moysan, J.; Gueudré, C.; Ploix, M.-A.; Corneloup, G.; Guy, Ph.; Guerjouma, R. El; Chassignole, B.

In the case of multi-pass welds, the material is very difficult to describe due to its anisotropic and heterogeneous properties. Anisotropy results from the metal solidification and is correlated with the grain orientation. A precise description of the material is one of the key points to obtain reliable results with wave propagation codes. A first advance is the model MINA which predicts the grain orientations in multi-pass 316-L steel welds. For flat position welding, good predictions of the grains orientations were obtained using 2D modelling. In case of welding in position the resulting grain structure may be 3D oriented. We indicate how the MINA model can be improved for 3D description. A second advance is a good quantification of the attenuation. Precise measurements are obtained using plane waves angular spectrum method together with the computation of the transmission coefficients for triclinic material. With these two first advances, the third one is now possible: developing an inverse method to obtain the material description through ultrasonic measurements at different positions.

Cost-effectiveness Analysis in R Using a Multi-state Modeling Survival Analysis Framework: A Tutorial.

PubMed

Williams, Claire; Lewsey, James D; Briggs, Andrew H; Mackay, Daniel F

2017-05-01

This tutorial provides a step-by-step guide to performing cost-effectiveness analysis using a multi-state modeling approach. Alongside the tutorial, we provide easy-to-use functions in the statistics package R. We argue that this multi-state modeling approach using a package such as R has advantages over approaches where models are built in a spreadsheet package. In particular, using a syntax-based approach means there is a written record of what was done and the calculations are transparent. Reproducing the analysis is straightforward as the syntax just needs to be run again. The approach can be thought of as an alternative way to build a Markov decision-analytic model, which also has the option to use a state-arrival extended approach. In the state-arrival extended multi-state model, a covariate that represents patients' history is included, allowing the Markov property to be tested. We illustrate the building of multi-state survival models, making predictions from the models and assessing fits. We then proceed to perform a cost-effectiveness analysis, including deterministic and probabilistic sensitivity analyses. Finally, we show how to create 2 common methods of visualizing the results-namely, cost-effectiveness planes and cost-effectiveness acceptability curves. The analysis is implemented entirely within R. It is based on adaptions to functions in the existing R package mstate to accommodate parametric multi-state modeling that facilitates extrapolation of survival curves.

A thermoresponsive nanorattle containing two different catalysts for controllable one-pot tandem catalysis

NASA Astrophysics Data System (ADS)

Niu, Chengrong; Hu, Jie; Li, Yinfeng; Leng, Jinghang; Li, Songjun

2018-03-01

In the present work, a thermoresponsive nanorattle with a Ag nanoparticle (NP) core (one catalyst in the nanorattle), and a poly(N-isopropylacrylamide) shell was developed. An imidazole group was grafted on the polymer shell by copolymerization as the other catalyst. Owing to the catalytic activities of the imidazole group and Ag NP with regards to hydrolysis and reduction, respectively, this nanorattle exhibited tandem-reaction catalytic abilities. In addition, because of the shrinkage of the poly(N-isopropylacrylamide) shell at high temperatures, the tandem reaction could be controlled to stop at the first reaction step. That is to say, only the hydrolysis reaction was catalyzed by the imidazole group being grafted on the surface of the shell. The reduction step in the tandem reaction catalyzed by the Ag particle, however, was switched off by the shrinkage of the poly(N-isopropylacrylamide) shell. This protocol opens up an opportunity to develop controllable catalysts for complicated chemical processes.

A 3D numerical study of LO2/GH2 supercritical combustion in the ONERA-Mascotte Test-rig configuration

NASA Astrophysics Data System (ADS)

Benmansour, Abdelkrim; Liazid, Abdelkrim; Logerais, Pierre-Olivier; Durastanti, Jean-Félix

2016-02-01

Cryogenic propellants LOx/H2 are used at very high pressure in rocket engine combustion. The description of the combustion process in such application is very complex due essentially to the supercritical regime. Ideal gas law becomes invalid. In order to try to capture the average characteristics of this combustion process, numerical computations are performed using a model based on a one-phase multi-component approach. Such work requires fluid properties and a correct definition of the mixture behavior generally described by cubic equations of state with appropriated thermodynamic relations validated against the NIST data. In this study we consider an alternative way to get the effect of real gas by testing the volume-weighted-mixing-law with association of the component transport properties using directly the NIST library data fitting including the supercritical regime range. The numerical simulations are carried out using 3D RANS approach associated with two tested turbulence models, the standard k-Epsilon model and the realizable k-Epsilon one. The combustion model is also associated with two chemical reaction mechanisms. The first one is a one-step generic chemical reaction and the second one is a two-step chemical reaction. The obtained results like temperature profiles, recirculation zones, visible flame lengths and distributions of OH species are discussed.

Dependence of weak interaction rates on the nuclear composition during stellar core collapse

NASA Astrophysics Data System (ADS)

Furusawa, Shun; Nagakura, Hiroki; Sumiyoshi, Kohsuke; Kato, Chinami; Yamada, Shoichi

2017-02-01

We investigate the influences of the nuclear composition on the weak interaction rates of heavy nuclei during the core collapse of massive stars. The nuclear abundances in nuclear statistical equilibrium (NSE) are calculated by some equation of state (EOS) models including in-medium effects on nuclear masses. We systematically examine the sensitivities of electron capture and neutrino-nucleus scattering on heavy nuclei to the nuclear shell effects and the single-nucleus approximation. We find that the washout of the shell effect at high temperatures brings significant change to weak rates by smoothing the nuclear abundance distribution: the electron capture rate decreases by ˜20 % in the early phase and increases by ˜40 % in the late phase at most, while the cross section for neutrino-nucleus scattering is reduced by ˜15 % . This is because the open-shell nuclei become abundant instead of those with closed neutron shells as the shell effects disappear. We also find that the single-nucleus description based on the average values leads to underestimations of weak rates. Electron captures and neutrino coherent scattering on heavy nuclei are reduced by ˜80 % in the early phase and by ˜5 % in the late phase, respectively. These results indicate that NSE like EOS accounting for shell washout is indispensable for the reliable estimation of weak interaction rates in simulations of core-collapse supernovae.

Participatory System Science: Multi-Level Comprehension Through a Game-like Process

NASA Astrophysics Data System (ADS)

Fatland, D. R.; Kuntz, L.

2012-12-01

Participatory System Science: Multi-Level Comprehension Through a Game-like Process We built a time-series game that permits the player to make water management decisions concerning the Skagit River (north-central Washington state) every five years for 60 years. This work was inspired by the integrative efforts of the Skagit Climate Science Consortium and the Climate Impacts Group at the University of Washington. Our principle guiding concepts have been - Construct a reasonable system description with -- wherever possible -- Events / Consequences rendered both visually and in terms of financial impact. - Base the system description on peer reviewed publications - Emphasize both connection and absence of connection between player Actions and subsequent Consequences in the catchment basin. Player choices center around dam flow levels and steps to mitigate negative impacts of sediment transport into the lower (populated) reaches of the Skagit River and into Puget Sound (levees, new dams, estuary restoration, etcetera). With this work we hope to explore scientific results in public awareness by engaging the game Player as a problem solver.

Asymptotic analysis of the shear strain effect on the wave characteristics of a multilayered cylindrical shell filled with fluid

NASA Astrophysics Data System (ADS)

Amenzade, R. Yu.; Kiiko, I. A.

2007-06-01

It is commonly assumed that the theory based on the Kirchhoff hypotheses describes the properties inherent in the wave processes occurring in shells filled with fluids. But there are several new effects that cannot be described by this theory (in particular, the appearance of new types of waves). In this paper, we present a linearized description of axisymmetric wave motion of a perfect incompressible fluid in a multilayered cylindrical shell with allowance for shear strain; the shell is assumed to be infinite and simply supported. This description is aimed at finding new mechanical effects and hence at estimating the influence of the multiple layers and the shear strain on the wave characteristics. In a sense, it generalizes and develops well-known studies of this type. Practice necessitates deriving equations constructed under the assumption that the physical and mechanical properties of the shell material are inhomogeneous along the thickness direction or the shell is multilayered; the development of refined theories (compared with the classical theory based on the Kirchhoff—Love straight normal hypothesis) is also inspired by practice. This is primarily related to the fact that multilayered thin-walled shells made of composite materials are used in various fields of technology. It is of interest to note that, as a result of long evolution, the phenomenon of being multilayered also predominates in living organisms. For example, this is typical of big blood vessels [1] (arteries and veins). In [2], on the basis of a three-dimensional variational principle of mixed type, the equations of motion and physical relations for elastic anisotropic shells rigidly inhomogeneous in the thickness direction are derived under the assumptions of the theory of thin shells and with shear strains taken into account. It is also noted that the case of multilayered shells can be modeled by introducing functions with integrable singularities. When studying wave propagation in deformable shells containing fluid, hydroelasticity problems arise; the solution of such problems is of both theoretical and practical importance. Of topical problems in this field, problems related to pulsating blood flow in big blood vessels [3] (the theory of pulse waves) are worth mentioning. The incentive for such studies is that they can help to understand the normal operation of the blood circulatory system, predict its reaction to variations, and propose methods for artificial intervention. Thus, diagnostics, surgery, and prosthesis are closely related to biomechanics. But the applied value of such problems is not bounded by their applications in hemodynamics. They are also very important in technology because of the wide use of systems of fluid and gas transportation through pipelines with corrosion-resistant coating.

Visualization design and verification of Ada tasking using timing diagrams

NASA Technical Reports Server (NTRS)

Vidale, R. F.; Szulewski, P. A.; Weiss, J. B.

1986-01-01

The use of timing diagrams is recommended in the design and testing of multi-task Ada programs. By displaying the task states vs. time, timing diagrams can portray the simultaneous threads of data flow and control which characterize tasking programs. This description of the system's dynamic behavior from conception to testing is a necessary adjunct to other graphical techniques, such as structure charts, which essentially give a static view of the system. A series of steps is recommended which incorporates timing diagrams into the design process. Finally, a description is provided of a prototype Ada Execution Analyzer (AEA) which automates the production of timing diagrams from VAX/Ada debugger output.

Multi-scale model for the hierarchical architecture of native cellulose hydrogels.

PubMed

Martínez-Sanz, Marta; Mikkelsen, Deirdre; Flanagan, Bernadine; Gidley, Michael J; Gilbert, Elliot P

2016-08-20

The structure of protiated and deuterated cellulose hydrogels has been investigated using a multi-technique approach combining small-angle scattering with diffraction, spectroscopy and microscopy. A model for the multi-scale structure of native cellulose hydrogels is proposed which highlights the essential role of water at different structural levels characterised by: (i) the existence of cellulose microfibrils containing an impermeable crystalline core surrounded by a partially hydrated paracrystalline shell, (ii) the creation of a strong network of cellulose microfibrils held together by hydrogen bonding to form cellulose ribbons and (iii) the differential behaviour of tightly bound water held within the ribbons compared to bulk solvent. Deuterium labelling provides an effective platform on which to further investigate the role of different plant cell wall polysaccharides in cellulose composite formation through the production of selectively deuterated cellulose composite hydrogels. Copyright © 2016 Elsevier Ltd. All rights reserved.

Thinshell symmetry surrogates for the National Ignition Facility: A rocket equation analysis

NASA Astrophysics Data System (ADS)

Amendt, Peter; Shestakov, A. I.; Landen, O. L.; Bradley, D. K.; Pollaine, S. M.; Suter, L. J.; Turner, R. E.

2001-06-01

Several techniques for inferring the degree of flux symmetry in indirectly driven cylindrical hohlraums have been developed over the past several years for eventual application to the National Ignition Facility (NIF) [Paisner et al., Laser Focus World 30, 75 (1994)]. These methods use various ignition capsule surrogates, including non-cryogenic imploded capsules [Hauer et al., Phys. Plasmas 2, 2488 (1995)], backlit aerogel foamballs [Amendt et al., Rev. Sci. Instrum. 66, 785 (1995)], reemission balls [Delamater, Magelssen, and Hauer, Phys. Rev. E 53, 5240 (1996)], and backlit thinshells [Pollaine et al., Phys. Plasmas 8, 2357 (2001)]. Recent attention has focussed on the backlit thinshells as a promising means for detecting higher-order Legendre flux asymmetries, e.g., P6 and P8, which are predicted to be important sources of target performance degradation on the NIF for levels greater than 1% [Haan et al., Phys. Plasmas 2, 2490 (1995)]. A key property of backlit thinshells is the strong amplification of modal flux asymmetry imprinting with shell convergence. A simple single-parameter analytic description based on a rocket model is presented which explores the degree of linearity of the shell response to an imposed flux asymmetry. Convergence and mass ablation effects introduce a modest level of nonlinearity in the shell response. The effect of target fabrication irregularities on shell distortion is assessed with the rocket model and particular sensitivity to shell thickness variations is shown. The model can be used to relate an observed or simulated backlit implosion trajectory to an ablation pressure asymmetry history. Ascertaining this history is an important element for readily establishing the degree of surrogacy of a symmetry target for a NIF ignition capsule.

A tool for multi-scale modelling of the renal nephron

PubMed Central

Nickerson, David P.; Terkildsen, Jonna R.; Hamilton, Kirk L.; Hunter, Peter J.

2011-01-01

We present the development of a tool, which provides users with the ability to visualize and interact with a comprehensive description of a multi-scale model of the renal nephron. A one-dimensional anatomical model of the nephron has been created and is used for visualization and modelling of tubule transport in various nephron anatomical segments. Mathematical models of nephron segments are embedded in the one-dimensional model. At the cellular level, these segment models use models encoded in CellML to describe cellular and subcellular transport kinetics. A web-based presentation environment has been developed that allows the user to visualize and navigate through the multi-scale nephron model, including simulation results, at the different spatial scales encompassed by the model description. The Zinc extension to Firefox is used to provide an interactive three-dimensional view of the tubule model and the native Firefox rendering of scalable vector graphics is used to present schematic diagrams for cellular and subcellular scale models. The model viewer is embedded in a web page that dynamically presents content based on user input. For example, when viewing the whole nephron model, the user might be presented with information on the various embedded segment models as they select them in the three-dimensional model view. Alternatively, the user chooses to focus the model viewer on a cellular model located in a particular nephron segment in order to view the various membrane transport proteins. Selecting a specific protein may then present the user with a description of the mathematical model governing the behaviour of that protein—including the mathematical model itself and various simulation experiments used to validate the model against the literature. PMID:22670210

Physicochemical modeling of reactive violet 5 dye adsorption on home-made cocoa shell and commercial activated carbons using the statistical physics theory

NASA Astrophysics Data System (ADS)

Sellaoui, Lotfi; Lima, Éder Cláudio; Dotto, Guilherme Luiz; Dias, Silvio L. P.; Ben Lamine, Abdelmottaleb

Two equilibrium models based on statistical physics, i.e., monolayer model with single energy and multilayer model with saturation, were developed and employed to access the steric and energetic aspects in the adsorption of reactive violet 5 dye (RV-5) on cocoa shell activated carbon (AC) and commercial activated carbon (CAC), at different temperatures (from 298 to 323 K). The results showed that the multilayer model with saturation was able to represent the adsorption system. This model assumes that the adsorption occurs by a formation of certain number of layers. The n values ranged from 1.10 to 2.98, indicating that the adsorbate molecules interacted in an inclined position on the adsorbent surface and aggregate in solution. The study of the total number of the formed layers (1 + L2) showed that the steric hindrance is the dominant factor. The description of the adsorbate-adsorbent interactions by calculation of the adsorption energy indicated that the process occurred by physisorption in nature, since the values were lower than 40 kJ mol-1.

Model-based analysis of multi-shell diffusion MR data for tractography: How to get over fitting problems

PubMed Central

Jbabdi, Saad; Sotiropoulos, Stamatios N; Savio, Alexander M; Graña, Manuel; Behrens, Timothy EJ

2012-01-01

In this article, we highlight an issue that arises when using multiple b-values in a model-based analysis of diffusion MR data for tractography. The non-mono-exponential decay, commonly observed in experimental data, is shown to induce over-fitting in the distribution of fibre orientations when not considered in the model. Extra fibre orientations perpendicular to the main orientation arise to compensate for the slower apparent signal decay at higher b-values. We propose a simple extension to the ball and stick model based on a continuous Gamma distribution of diffusivities, which significantly improves the fitting and reduces the over-fitting. Using in-vivo experimental data, we show that this model outperforms a simpler, noise floor model, especially at the interfaces between brain tissues, suggesting that partial volume effects are a major cause of the observed non-mono-exponential decay. This model may be helpful for future data acquisition strategies that may attempt to combine multiple shells to improve estimates of fibre orientations in white matter and near the cortex. PMID:22334356

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

A Viscoelastic Hybrid Shell Finite Element

NASA Technical Reports Server (NTRS)

Johnson, Arthur

1999-01-01

An elastic large displacement thick-shell hybrid finite element is modified to allow for the calculation of viscoelastic stresses. Internal strain variables are introduced at he element's stress nodes and are employed to construct a viscous material model. First order ordinary differential equations relate the internal strain variables to the corresponding elastic strains at the stress nodes. The viscous stresses are computed from the internal strain variables using viscous moduli which are a fraction of the elastic moduli. The energy dissipated by the action of the viscous stresses in included in the mixed variational functional. Nonlinear quasi-static viscous equilibrium equations are then obtained. Previously developed Taylor expansions of the equilibrium equations are modified to include the viscous terms. A predictor-corrector time marching solution algorithm is employed to solve the algebraic-differential equations. The viscous shell element is employed to numerically simulate a stair-step loading and unloading of an aircraft tire in contact with a frictionless surface.

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

NASA Astrophysics Data System (ADS)

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

2011-02-01

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

A Fuzzy Goal Programming for a Multi-Depot Distribution Problem

NASA Astrophysics Data System (ADS)

Nunkaew, Wuttinan; Phruksaphanrat, Busaba

2010-10-01

A fuzzy goal programming model for solving a Multi-Depot Distribution Problem (MDDP) is proposed in this research. This effective proposed model is applied for solving in the first step of Assignment First-Routing Second (AFRS) approach. Practically, a basic transportation model is firstly chosen to solve this kind of problem in the assignment step. After that the Vehicle Routing Problem (VRP) model is used to compute the delivery cost in the routing step. However, in the basic transportation model, only depot to customer relationship is concerned. In addition, the consideration of customer to customer relationship should also be considered since this relationship exists in the routing step. Both considerations of relationships are solved using Preemptive Fuzzy Goal Programming (P-FGP). The first fuzzy goal is set by a total transportation cost and the second fuzzy goal is set by a satisfactory level of the overall independence value. A case study is used for describing the effectiveness of the proposed model. Results from the proposed model are compared with the basic transportation model that has previously been used in this company. The proposed model can reduce the actual delivery cost in the routing step owing to the better result in the assignment step. Defining fuzzy goals by membership functions are more realistic than crisps. Furthermore, flexibility to adjust goals and an acceptable satisfactory level for decision maker can also be increased and the optimal solution can be obtained.

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

Adam, C.; Romanczukiewicz, T.; Wereszczynski, A.

A restriction of the baby Skyrme model consisting of the quartic and potential terms only is investigated in detail for a wide range of potentials. Further, its properties are compared with those of the corresponding full baby Skyrme models. We find that topological (charge) as well as geometrical (nucleus/shell shape) features of baby Skyrmions are captured already by the soliton solutions of the restricted model. Further, we find a coincidence between the compact or noncompact nature of solitons in the restricted model, on the one hand, and the existence or nonexistence of multi-Skyrmions in the full baby Skyrme model, onmore » the other hand.« less

Structured recording of intraoperative surgical workflows

NASA Astrophysics Data System (ADS)

Neumuth, T.; Durstewitz, N.; Fischer, M.; Strauss, G.; Dietz, A.; Meixensberger, J.; Jannin, P.; Cleary, K.; Lemke, H. U.; Burgert, O.

2006-03-01

Surgical Workflows are used for the methodical and scientific analysis of surgical interventions. The approach described here is a step towards developing surgical assist systems based on Surgical Workflows and integrated control systems for the operating room of the future. This paper describes concepts and technologies for the acquisition of Surgical Workflows by monitoring surgical interventions and their presentation. Establishing systems which support the Surgical Workflow in operating rooms requires a multi-staged development process beginning with the description of these workflows. A formalized description of surgical interventions is needed to create a Surgical Workflow. This description can be used to analyze and evaluate surgical interventions in detail. We discuss the subdivision of surgical interventions into work steps regarding different levels of granularity and propose a recording scheme for the acquisition of manual surgical work steps from running interventions. To support the recording process during the intervention, we introduce a new software architecture. Core of the architecture is our Surgical Workflow editor that is intended to deal with the manifold, complex and concurrent relations during an intervention. Furthermore, a method for an automatic generation of graphs is shown which is able to display the recorded surgical work steps of the interventions. Finally we conclude with considerations about extensions of our recording scheme to close the gap to S-PACS systems. The approach was used to record 83 surgical interventions from 6 intervention types from 3 different surgical disciplines: ENT surgery, neurosurgery and interventional radiology. The interventions were recorded at the University Hospital Leipzig, Germany and at the Georgetown University Hospital, Washington, D.C., USA.

Strain Rate and Anisotropic Microstructure Dependent Mechanical Behaviors of Silkworm Cocoon Shells

PubMed Central

Xu, Jun; Zhang, Wen; Gao, Xiang; Meng, Wanlin; Guan, Juan

2016-01-01

Silkworm cocoons are multi-layered composite structures comprised of high strength silk fiber and sericin, and their mechanical properties have been naturally selected to protect pupas during metamorphosis from various types of external attacks. The present study attempts to gain a comprehensive understanding of the mechanical properties of cocoon shell materials from wild silkworm species Antheraea pernyi under dynamic loading rates. Five dynamic strain rates from 0.00625 s-1 to 12.5 s-1 are tested to show the strain rate sensitivity of the cocoon shell material. In the meantime, the anisotropy of the cocoon shell is considered and the cocoon shell specimens are cut along 0°, 45° and 90° orientation to the short axis of cocoons. Typical mechanical properties including Young’s modulus, yield strength, ultimate strength and ultimate strain are extracted and analyzed from the stress-strain curves. Furthermore, the fracture morphologies of the cocoon shell specimens are observed under scanning electron microscopy to help understand the relationship between the mechanical properties and the microstructures of the cocoon material. A discussion on the dynamic strain rate effect on the mechanical properties of cocoon shell material is followed by fitting our experimental results to two previous models, and the effect could be well explained. We also compare natural and dried cocoon materials for the dynamic strain rate effect and interestingly the dried cocoon shells show better overall mechanical properties. This study provides a different perspective on the mechanical properties of cocoon material as a composite material, and provides some insight for bio-inspired engineering materials. PMID:26939063

A Multi Water Bag model of drift kinetic electron plasmaa

NASA Astrophysics Data System (ADS)

Morel, Pierre; Ghiro, Florent Dreydemy; Berionni, Vincent; Coulette, David; Besse, Nicolas; Gürcan, Özgür D.

2014-08-01

A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)].

Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues

NASA Astrophysics Data System (ADS)

Fiorentini, Raffaele; Kremer, Kurt; Potestio, Raffaello; Fogarty, Aoife C.

2017-06-01

The calculation of free energy differences is a crucial step in the characterization and understanding of the physical properties of biological molecules. In the development of efficient methods to compute these quantities, a promising strategy is that of employing a dual-resolution representation of the solvent, specifically using an accurate model in the proximity of a molecule of interest and a simplified description elsewhere. One such concurrent multi-resolution simulation method is the Adaptive Resolution Scheme (AdResS), in which particles smoothly change their resolution on-the-fly as they move between different subregions. Before using this approach in the context of free energy calculations, however, it is necessary to make sure that the dual-resolution treatment of the solvent does not cause undesired effects on the computed quantities. Here, we show how AdResS can be used to calculate solvation free energies of small polar solutes using Thermodynamic Integration (TI). We discuss how the potential-energy-based TI approach combines with the force-based AdResS methodology, in which no global Hamiltonian is defined. The AdResS free energy values agree with those calculated from fully atomistic simulations to within a fraction of kBT. This is true even for small atomistic regions whose size is on the order of the correlation length, or when the properties of the coarse-grained region are extremely different from those of the atomistic region. These accurate free energy calculations are possible because AdResS allows the sampling of solvation shell configurations which are equivalent to those of fully atomistic simulations. The results of the present work thus demonstrate the viability of the use of adaptive resolution simulation methods to perform free energy calculations and pave the way for large-scale applications where a substantial computational gain can be attained.

Intermediate energy proton-deuteron elastic scattering

NASA Technical Reports Server (NTRS)

Wilson, J. W.

1973-01-01

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

Probing the Single-Particle Character of Rotational States in F 19 Using a Short-Lived Isomeric Beam

NASA Astrophysics Data System (ADS)

Santiago-Gonzalez, D.; Auranen, K.; Avila, M. L.; Ayangeakaa, A. D.; Back, B. B.; Bottoni, S.; Carpenter, M. P.; Chen, J.; Deibel, C. M.; Hood, A. A.; Hoffman, C. R.; Janssens, R. V. F.; Jiang, C. L.; Kay, B. P.; Kuvin, S. A.; Lauer, A.; Schiffer, J. P.; Sethi, J.; Talwar, R.; Wiedenhöver, I.; Winkelbauer, J.; Zhu, S.

2018-03-01

A beam containing a substantial component of both the Jπ=5+ , T1 /2=162 ns isomeric state of F 18 and its 1+, 109.77-min ground state is utilized to study members of the ground-state rotational band in F 19 through the neutron transfer reaction (d ,p ) in inverse kinematics. The resulting spectroscopic strengths confirm the single-particle nature of the 13 /2+ band-terminating state. The agreement between shell-model calculations using an interaction constructed within the s d shell, and our experimental results reinforces the idea of a single-particle-collective duality in the descriptions of the structure of atomic nuclei.

Physical and Electronic Isolation of Carbon Nanotube Conductors

NASA Technical Reports Server (NTRS)

OKeeffe, James; Biegel, Bryan (Technical Monitor)

2001-01-01

Multi-walled nanotubes are proposed as a method to electrically and physically isolate nanoscale conductors from their surroundings. We use tight binding (TB) and density functional theory (DFT) to simulate the effects of an external electric field on multi-wall nanotubes. Two categories of multi-wall nanotube are investigated, those with metallic and semiconducting outer shells. In the metallic case, simulations show that the outer wall effectively screens the inner core from an applied electric field. This offers the ability to reduce crosstalk between nanotube conductors. A semiconducting outer shell is found not to perturb an electric field incident on the inner core, thereby providing physical isolation while allowing the tube to remain electrically coupled to its surroundings.

A compact proton spectrometer for measurement of the absolute DD proton spectrum from which yield and ρR are determined in thin-shell inertial-confinement-fusion implosions.

PubMed

Rosenberg, M J; Zylstra, A B; Frenje, J A; Rinderknecht, H G; Johnson, M Gatu; Waugh, C J; Séguin, F H; Sio, H; Sinenian, N; Li, C K; Petrasso, R D; Glebov, V Yu; Hohenberger, M; Stoeckl, C; Sangster, T C; Yeamans, C B; LePape, S; Mackinnon, A J; Bionta, R M; Talison, B; Casey, D T; Landen, O L; Moran, M J; Zacharias, R A; Kilkenny, J D; Nikroo, A

2014-10-01

A compact, step range filter proton spectrometer has been developed for the measurement of the absolute DD proton spectrum, from which yield and areal density (ρR) are inferred for deuterium-filled thin-shell inertial confinement fusion implosions. This spectrometer, which is based on tantalum step-range filters, is sensitive to protons in the energy range 1-9 MeV and can be used to measure proton spectra at mean energies of ∼1-3 MeV. It has been developed and implemented using a linear accelerator and applied to experiments at the OMEGA laser facility and the National Ignition Facility (NIF). Modeling of the proton slowing in the filters is necessary to construct the spectrum, and the yield and energy uncertainties are ±<10% in yield and ±120 keV, respectively. This spectrometer can be used for in situ calibration of DD-neutron yield diagnostics at the NIF.

A compact proton spectrometer for measurement of the absolute DD proton spectrum from which yield and pR are determined in thin-shell inertial-confinement-fusion implosions

DOE PAGES

Rosenberg, M. J.; Zylstra, A. B.; Frenje, J. A.; ...

2014-10-10

A compact, step range filter proton spectrometer has been developed for the measurement of the absolute DD proton spectrum, from which yield and areal density (ρR) are inferred for deuterium-filled thin-shell inertial confinement fusion implosions. This spectrometer, which is based on tantalum step-range filters, is sensitive to protons in the energy range 1-9 MeV and can be used to measure proton spectra at mean energies of ~1-3 MeV. It has been developed and implemented using a linear accelerator and applied to experiments at the OMEGA laser facility and the National Ignition Facility (NIF). Modeling of the proton slowing in themore » filters is necessary to construct the spectrum, and the yield and energy uncertainties are ±<10% in yield and ±120 keV, respectively. This spectrometer can be used for in situ calibration of DD-neutron yield diagnostics at the NIF« less

A compact proton spectrometer for measurement of the absolute DD proton spectrum from which yield and ρR are determined in thin-shell inertial-confinement-fusion implosions

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

Rosenberg, M. J., E-mail: mrosenbe@mit.edu; Zylstra, A. B.; Frenje, J. A.

2014-10-01

A compact, step range filter proton spectrometer has been developed for the measurement of the absolute DD proton spectrum, from which yield and areal density (ρR) are inferred for deuterium-filled thin-shell inertial confinement fusion implosions. This spectrometer, which is based on tantalum step-range filters, is sensitive to protons in the energy range 1-9 MeV and can be used to measure proton spectra at mean energies of ~1-3 MeV. It has been developed and implemented using a linear accelerator and applied to experiments at the OMEGA laser facility and the National Ignition Facility (NIF). Modeling of the proton slowing in themore » filters is necessary to construct the spectrum, and the yield and energy uncertainties are ±<10% in yield and ±120 keV, respectively. This spectrometer can be used for in situ calibration of DD-neutron yield diagnostics at the NIF.« less

Functional Fault Modeling of a Cryogenic System for Real-Time Fault Detection and Isolation

NASA Technical Reports Server (NTRS)

Ferrell, Bob; Lewis, Mark; Perotti, Jose; Oostdyk, Rebecca; Brown, Barbara

2010-01-01

The purpose of this paper is to present the model development process used to create a Functional Fault Model (FFM) of a liquid hydrogen (L H2) system that will be used for realtime fault isolation in a Fault Detection, Isolation and Recover (FDIR) system. The paper explains th e steps in the model development process and the data products required at each step, including examples of how the steps were performed fo r the LH2 system. It also shows the relationship between the FDIR req uirements and steps in the model development process. The paper concl udes with a description of a demonstration of the LH2 model developed using the process and future steps for integrating the model in a live operational environment.

78 FR 41792 - Combined Notice of Filings #1

Federal Register 2010, 2011, 2012, 2013, 2014

2013-07-11

.... Applicants: Shell Energy North America (US), L.P. Description: Updated Market Power Analysis for the Southwest Region of Shell Energy North America (US), L.P. Filed Date: 7/1/13. Accession Number: 20130701... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission Combined Notice of Filings 1 Take notice...

Fully implicit adaptive mesh refinement solver for 2D MHD

NASA Astrophysics Data System (ADS)

Philip, B.; Chacon, L.; Pernice, M.

2008-11-01

Application of implicit adaptive mesh refinement (AMR) to simulate resistive magnetohydrodynamics is described. Solving this challenging multi-scale, multi-physics problem can improve understanding of reconnection in magnetically-confined plasmas. AMR is employed to resolve extremely thin current sheets, essential for an accurate macroscopic description. Implicit time stepping allows us to accurately follow the dynamical time scale of the developing magnetic field, without being restricted by fast Alfven time scales. At each time step, the large-scale system of nonlinear equations is solved by a Jacobian-free Newton-Krylov method together with a physics-based preconditioner. Each block within the preconditioner is solved optimally using the Fast Adaptive Composite grid method, which can be considered as a multiplicative Schwarz method on AMR grids. We will demonstrate the excellent accuracy and efficiency properties of the method with several challenging reduced MHD applications, including tearing, island coalescence, and tilt instabilities. B. Philip, L. Chac'on, M. Pernice, J. Comput. Phys., in press (2008)

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

Wemhoff, A P; Burnham, A K; Nichols III, A L

The reduction of the number of reactions in kinetic models for both the HMX beta-delta phase transition and thermal cookoff provides an attractive alternative to traditional multi-stage kinetic models due to reduced calibration effort requirements. In this study, we use the LLNL code ALE3D to provide calibrated kinetic parameters for a two-reaction bidirectional beta-delta HMX phase transition model based on Sandia Instrumented Thermal Ignition (SITI) and Scaled Thermal Explosion (STEX) temperature history curves, and a Prout-Tompkins cookoff model based on One-Dimensional Time to Explosion (ODTX) data. Results show that the two-reaction bidirectional beta-delta transition model presented here agrees as wellmore » with STEX and SITI temperature history curves as a reversible four-reaction Arrhenius model, yet requires an order of magnitude less computational effort. In addition, a single-reaction Prout-Tompkins model calibrated to ODTX data provides better agreement with ODTX data than a traditional multi-step Arrhenius model, and can contain up to 90% less chemistry-limited time steps for low-temperature ODTX simulations. Manual calibration methods for the Prout-Tompkins kinetics provide much better agreement with ODTX experimental data than parameters derived from Differential Scanning Calorimetry (DSC) measurements at atmospheric pressure. The predicted surface temperature at explosion for STEX cookoff simulations is a weak function of the cookoff model used, and a reduction of up to 15% of chemistry-limited time steps can be achieved by neglecting the beta-delta transition for this type of simulation. Finally, the inclusion of the beta-delta transition model in the overall kinetics model can affect the predicted time to explosion by 1% for the traditional multi-step Arrhenius approach, while up to 11% using a Prout-Tompkins cookoff model.« less

[Research progress of multi-model medical image fusion and recognition].

PubMed

Zhou, Tao; Lu, Huiling; Chen, Zhiqiang; Ma, Jingxian

2013-10-01

Medical image fusion and recognition has a wide range of applications, such as focal location, cancer staging and treatment effect assessment. Multi-model medical image fusion and recognition are analyzed and summarized in this paper. Firstly, the question of multi-model medical image fusion and recognition is discussed, and its advantage and key steps are discussed. Secondly, three fusion strategies are reviewed from the point of algorithm, and four fusion recognition structures are discussed. Thirdly, difficulties, challenges and possible future research direction are discussed.

Meta-analyses and Forest plots using a microsoft excel spreadsheet: step-by-step guide focusing on descriptive data analysis.

PubMed

Neyeloff, Jeruza L; Fuchs, Sandra C; Moreira, Leila B

2012-01-20

Meta-analyses are necessary to synthesize data obtained from primary research, and in many situations reviews of observational studies are the only available alternative. General purpose statistical packages can meta-analyze data, but usually require external macros or coding. Commercial specialist software is available, but may be expensive and focused in a particular type of primary data. Most available softwares have limitations in dealing with descriptive data, and the graphical display of summary statistics such as incidence and prevalence is unsatisfactory. Analyses can be conducted using Microsoft Excel, but there was no previous guide available. We constructed a step-by-step guide to perform a meta-analysis in a Microsoft Excel spreadsheet, using either fixed-effect or random-effects models. We have also developed a second spreadsheet capable of producing customized forest plots. It is possible to conduct a meta-analysis using only Microsoft Excel. More important, to our knowledge this is the first description of a method for producing a statistically adequate but graphically appealing forest plot summarizing descriptive data, using widely available software.

Meta-analyses and Forest plots using a microsoft excel spreadsheet: step-by-step guide focusing on descriptive data analysis

PubMed Central

2012-01-01

Background Meta-analyses are necessary to synthesize data obtained from primary research, and in many situations reviews of observational studies are the only available alternative. General purpose statistical packages can meta-analyze data, but usually require external macros or coding. Commercial specialist software is available, but may be expensive and focused in a particular type of primary data. Most available softwares have limitations in dealing with descriptive data, and the graphical display of summary statistics such as incidence and prevalence is unsatisfactory. Analyses can be conducted using Microsoft Excel, but there was no previous guide available. Findings We constructed a step-by-step guide to perform a meta-analysis in a Microsoft Excel spreadsheet, using either fixed-effect or random-effects models. We have also developed a second spreadsheet capable of producing customized forest plots. Conclusions It is possible to conduct a meta-analysis using only Microsoft Excel. More important, to our knowledge this is the first description of a method for producing a statistically adequate but graphically appealing forest plot summarizing descriptive data, using widely available software. PMID:22264277

A Description of Exotic Nuclei by the Aid of Virtual States

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

Vertse, T.; University of Debrecen, Faculty of Information Science, H-4010 Debrecen, Pf. 12; Id Betan, R.

2005-11-21

A new unified shell model scheme is introduced in which the single particle basis is a generalization of the Berggren representation. This repesentation includes virtual i.e. antibound basis states as well. We apply the new scheme to the ground state of the exotic nucleus 11Li. Here the antibound pole and the complex continuum both have large contributions and neither of them can be neglected.

Analysis of the phosphorescent dye concentration dependence of triplet-triplet annihilation in organic host-guest systems

NASA Astrophysics Data System (ADS)

Zhang, L.; van Eersel, H.; Bobbert, P. A.; Coehoorn, R.

2016-10-01

Using a novel method for analyzing transient photoluminescence (PL) experiments, a microscopic description is obtained for the dye concentration dependence of triplet-triplet annihilation (TTA) in phosphorescent host-guest systems. It is demonstrated that the TTA-mechanism, which could be a single-step dominated process or a diffusion-mediated multi-step process, can be deduced for any given dye concentration from a recently proposed PL intensity analysis. A comparison with the results of kinetic Monte Carlo simulations provides the TTA-Förster radius and shows that the TTA enhancement due to triplet diffusion can be well described in a microscopic manner assuming Förster- or Dexter-type energy transfer.

Synthesis of Various Metal/TiO2 Core/shell Nanorod Arrays

NASA Astrophysics Data System (ADS)

Zhu, Wei; Wang, Guan-zhong; Hong, Xun; Shen, Xiao-shuang

2011-02-01

We present a general approach to fabricate metal/TiO2 core/shell nanorod structures by two-step electrodeposition. Firstly, TiO2 nanotubes with uniform wall thickness are prepared in anodic aluminum oxide (AAO) membranes by electrodeposition. The wall thickness of the nanotubes could be easily controlled by modulating the deposition time, and their outer diameter and length are only limited by the channel diameter and the thickness of the AAO membranes, respectively. The nanotubes' tops prepared by this method are open, while the bottoms are connected directly with the Au film at the back of the AAO membranes. Secondly, Pd, Cu, and Fe elements are filled into the TiO2 nanotubes to form core/shell structures. The core/shell nanorods prepared by this two-step process are high density and free-standing, and their length is dependent on the deposition time.

Internal structure of InP/ZnS nanocrystals unraveled by high-resolution soft X-ray photoelectron spectroscopy.

PubMed

Huang, Kai; Demadrille, Renaud; Silly, Mathieu G; Sirotti, Fausto; Reiss, Peter; Renault, Olivier

2010-08-24

High-energy resolution photoelectron spectroscopy (DeltaE < 200 meV) is used to investigate the internal structure of semiconductor quantum dots containing low Z-contrast elements. In InP/ZnS core/shell nanocrystals synthesized using a single-step procedure (core and shell precursors added at the same time), a homogeneously alloyed InPZnS core structure is evidenced by quantitative analysis of their In3d(5/2) spectra recorded at variable excitation energy. When using a two-step method (core InP nanocrystal synthesis followed by subsequent ZnS shell growth), XPS analysis reveals a graded core/shell interface. We demonstrate the existence of In-S and S(x)-In-P(1-x) bonding states in both types of InP/ZnS nanocrystals, which allows a refined view on the underlying reaction mechanisms.

Construction of social value or utility-based health indices: the usefulness of factorial experimental design plans.

PubMed

Cadman, D; Goldsmith, C

1986-01-01

Global indices, which aggregate multiple health or function attributes into a single summary indicator, are useful measures in health research. Two key issues must be addressed in the initial stages of index construction from the universe of possible health and function attributes, which ones should be included in a new index? and how simple can the statistical model be to combine attributes into a single numeric index value? Factorial experimental designs were used in the initial stages of developing a function index for evaluating a program for the care of young handicapped children. Beginning with eight attributes judged important to the goals of the program by clinicians, social preference values for different function states were obtained from 32 parents of handicapped children and 32 members of the community. Using category rating methods each rater scored 16 written multi-attribute case descriptions which contained information about a child's status for all eight attributes. Either a good or poor level of each function attribute and age 3 or 5 years were described in each case. Thus, 2(8) = 256 different cases were rated. Two factorial design plans were selected and used to allocate case descriptions to raters. Analysis of variance determined that seven of the eight clinician selected attributes were required in a social value based index for handicapped children. Most importantly, the subsequent steps of index construction could be greatly simplified by the finding that a simple additive statistical model without complex attribute interaction terms was adequate for the index. We conclude that factorial experimental designs are an efficient, feasible and powerful tool for the initial stages of constructing a multi-attribute health index.

Titanium dioxide@polypyrrole core-shell nanowires for all solid-state flexible supercapacitors.

PubMed

Yu, Minghao; Zeng, Yinxiang; Zhang, Chong; Lu, Xihong; Zeng, Chenghui; Yao, Chenzhong; Yang, Yangyi; Tong, Yexiang

2013-11-21

Herein, we developed a facile two-step process to synthesize TiO2@PPy core-shell nanowires (NWs) on carbon cloth and reported their improved electrochemical performance for flexible supercapacitors (SCs). The fabricated solid-state SC device based on TiO2@PPy core-shell NWs not only has excellent flexibility, but also exhibits remarkable electrochemical performance.

Apparatus for forming a continuous lightweight multicell material

NASA Technical Reports Server (NTRS)

Wang, Taylor G. (Inventor); Elleman, Daniel D. (Inventor); Kendall, James M., Jr. (Inventor)

1984-01-01

An apparatus is described for producing a lightweight structural material (12), by forming gas-filled shells (38) of molten material from a matrix of nozzles (22) that form shells of very uniform size at very uniform rates. The matrix of molten shells coalesce into a multi-cell material of controlled cellular structure. The shells can be of two different sizes (38, 44) that are interspersed, to form a multicell material that has a regular cell pattern but which avoids planes of weakness and localized voids. The gas (50) in the shells can be under a high pressure, and can be a fire extinguishing gas.

Reordering of Nuclear Quantum States in Rare Isotopes

NASA Astrophysics Data System (ADS)

Flanagan, Kieran

2010-02-01

A key question in modern nuclear physics relates to the ordering of quantum states, and whether the predictions made by the shell model hold true far from stability. Recent innovations in technology and techniques at radioactive beam facilities have allowed access to rare isotopes previously inaccessible to experimentalists. Measurements that have been performed in several regions of the nuclear chart have yielded surprising and dramatic changes in nuclear structure, where level ordering is quite different than expected from previous theoretical descriptions. In order to reconcile the difference between experiment and theory, new shell-model interactions have been proposed, which include the role of the tensor force as part of the monopole term from the expansion of the residual proton-neutron interaction. This has motivated a series of laser spectroscopy experiments that have studied the neutron-rich copper and gallium isotopes at the ISOLDE facility. This work has deduced without nuclear-model dependence the spin, moments and charge radii. The results of this work and their implications for nuclear structure near ^78Ni will be discussed. )

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

PubMed

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

2017-03-01

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

Fabrication of a magnetic helical mesostructured silica rod

NASA Astrophysics Data System (ADS)

Zhang, Lei; Zhang Qiao, Shi; Cheng, Lina; Yan, Zifeng; Qing Lu, Gao Max

2008-10-01

We report a one-step synthesis of magnetic helical mesostructured silica (MHMS) by self-assembly of an achiral surfactant, magnetic nanocrystals with stearic acid ligands and silicate. This core-shell structured material consists of an Fe3O4 superparamagnetic nanocrystal core and a highly ordered periodic helical mesoporous silica shell. We propose that the formation of the helical structure is induced by the interaction between the surfactant and dissociated stearic acid ligands. The MHMS obtained possesses superparamagnetism, uniform mesostructure, narrow pore size distribution, high surface area, and large pore volume. Furthermore, the drug release process is demonstrated using aspirin as a drug model and MHMS as a drug carrier in a sodium phosphate buffer solution.

On electromagnetic and quantum invisibility

NASA Astrophysics Data System (ADS)

Mundru, Pattabhiraju Chowdary

The principle objective of this dissertation is to investigate the fundamental properties of electromagnetic wave interactions with artificially fabricated materials i.e., metamaterials for application in advanced stealth technology called electromagnetic cloaking. The main goal is to theoretically design a metamaterial shell around an object that completely eliminates the dipolar and higher order multipolar scattering, thus making the object invisible. In this context, we developed a quasi-effective medium theory that determines the optical properties of multi-layered-composites beyond the quasi-static limit. The proposed theory exactly reproduces the far-field scattering/extinction cross sections through an iterative process in which mode-dependent quasi-effective impedances of the composite system are introduced. In the large wavelength limit, our theory is consistent with Maxwell-Garnett formalism. Possible applications in determining the hybridization particle resonances of multi-shell structures and electromagnetic cloaking are identified. This dissertation proposes a multi-shell generic cloaking system. A transparency condition independent of the object's optical and geometrical properties is proposed in the quasi-static regime of operation. The suppression of dipolar scattering is demonstrated in both cylindrically and spherically symmetric systems. A realistic tunable low-loss shell design is proposed based on the composite metal-dielectric shell. The effects due to dissipation and dispersion on the overall scattering cross-section are thoroughly evaluated. It is shown that a strong reduction of scattering by a factor of up to 103 can be achieved across the entire optical spectrum. Full wave numerical simulations for complex shaped particle are performed to validate the analytical theory. The proposed design does not require optical magnetism and is generic in the sense that it is independent of the object's material and geometrical properties. A generic quantum cloak analogous to the optical cloak is also proposed. The transparency conditions required for the shells to cloak an object impinged by a low energy beam of particles are derived. A realistic cloaking system with semiconductor material shells is studied.

A novel microfluidic system for the mass production of Inertial Fusion Energy shells

NASA Astrophysics Data System (ADS)

Inoue, N. T.

2016-04-01

A system which can mass produce millimetre sized spherical polymer shells economically and with high precision will be a great step towards the Inertial Fusion Energy goal. Microfluidics has shown itself to be a disruptive technology, where a rapid and continuous production of compound emulsions can be processed into such shells. Planar emulsion generators co-flow-focus in one step (COFON) and cascaded co-flow- focus (COFUS) enable millimetre compound emulsions to be produced using a one or two step formation process respectively. The co-flow-focus geometry uses symmetric and curved carrier fluid entrance walls to create a focusing orifice-minima and a carrier flow which aids movement and shaping of the dispersed fluid(s) towards the outlet, whilst maintaining operation in the dripping regime. Precision concentric alignment of these compound emulsions remains one of the greatest challenges. However steps to solve this passively using curved channel modulation to perturbate the emulsion have shown that rapid alignment can be achieved. Issues with satellite droplet formation, repeatability of the emulsion generation and cost are also addressed.

New porcellioidean gastropods from early Devonian of Royal Creek area, Yukon Territory, Canada, with notes on their early phylogeny

USGS Publications Warehouse

Fryda, J.; Blodgett, R.B.; Lenz, A.C.; Manda, S.

2008-01-01

This paper presents a description of new gastropods belonging to the superfamily Porcellioidea (Vetigastropoda) from the richly diverse Lower Devonian gastropod fauna of the Road River Formation in the Royal Creek area, Yukon Territory. This fauna belongs to Western Canada Province of the Old World Realm. The Pragian species Porcellia (Porcellia) yukonensis n. sp. and Porcellia (Paraporcellia) sp. represent the oldest presently known members of subgenera Porcellia (Porcellia) and Porcellia (Paraporcellia). Their simple shell ornamentation fits well with an earlier described evolutionary trend in shell morphology of the Porcellinae. Late Pragian to early Emsian Perryconcha pulchra n. gen. and n. sp. is the first member of the Porcellioidea bearing a row of tremata on adult teleoconch whorls. The occurrence of this shell feature in the Porcellioidea is additional evidence that the evolution of the apertural slit was much more complicated than has been proposed in classical models of Paleozoic gastropod evolution. Copyright ?? 2008, The Paleontological Society.

ModelArchiver—A program for facilitating the creation of groundwater model archives

USGS Publications Warehouse

Winston, Richard B.

2018-03-01

ModelArchiver is a program designed to facilitate the creation of groundwater model archives that meet the requirements of the U.S. Geological Survey (USGS) policy (Office of Groundwater Technical Memorandum 2016.02, https://water.usgs.gov/admin/memo/GW/gw2016.02.pdf, https://water.usgs.gov/ogw/policy/gw-model/). ModelArchiver version 1.0 leads the user step-by-step through the process of creating a USGS groundwater model archive. The user specifies the contents of each of the subdirectories within the archive and provides descriptions of the archive contents. Descriptions of some files can be specified automatically using file extensions. Descriptions also can be specified individually. Those descriptions are added to a readme.txt file provided by the user. ModelArchiver moves the content of the archive to the archive folder and compresses some folders into .zip files.As part of the archive, the modeler must create a metadata file describing the archive. The program has a built-in metadata editor and provides links to websites that can aid in creation of the metadata. The built-in metadata editor is also available as a stand-alone program named FgdcMetaEditor version 1.0, which also is described in this report. ModelArchiver updates the metadata file provided by the user with descriptions of the files in the archive. An optional archive list file generated automatically by ModelMuse can streamline the creation of archives by identifying input files, output files, model programs, and ancillary files for inclusion in the archive.

Implementing the Indiana Model. Indiana Leadership Consortium: Equity through Change.

ERIC Educational Resources Information Center

Indiana Leadership Consortium.

This guide, which was developed as a part of a multi-year, statewide effort to institutionalize gender equity in various educational settings throughout Indiana, presents a step-by-step process model for achieving gender equity in the state's secondary- and postsecondary-level vocational programs through coalition building and implementation of a…

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

Software for Automated Reading of STEP Files by I-DEAS(trademark)

NASA Technical Reports Server (NTRS)

Pinedo, John

2003-01-01

A program called "readstep" enables the I-DEAS(tm) computer-aided-design (CAD) software to automatically read Standard for the Exchange of Product Model Data (STEP) files. (The STEP format is one of several used to transfer data between dissimilar CAD programs.) Prior to the development of "readstep," it was necessary to read STEP files into I-DEAS(tm) one at a time in a slow process that required repeated intervention by the user. In operation, "readstep" prompts the user for the location of the desired STEP files and the names of the I-DEAS(tm) project and model file, then generates an I-DEAS(tm) program file called "readstep.prg" and two Unix shell programs called "runner" and "controller." The program "runner" runs I-DEAS(tm) sessions that execute readstep.prg, while "controller" controls the execution of "runner" and edits readstep.prg if necessary. The user sets "runner" and "controller" into execution simultaneously, and then no further intervention by the user is required. When "runner" has finished, the user should see only parts from successfully read STEP files present in the model file. STEP files that could not be read successfully (e.g., because of format errors) should be regenerated before attempting to read them again.

Using synchronization in multi-model ensembles to improve prediction

NASA Astrophysics Data System (ADS)

Hiemstra, P.; Selten, F.

2012-04-01

In recent decades, many climate models have been developed to understand and predict the behavior of the Earth's climate system. Although these models are all based on the same basic physical principles, they still show different behavior. This is for example caused by the choice of how to parametrize sub-grid scale processes. One method to combine these imperfect models, is to run a multi-model ensemble. The models are given identical initial conditions and are integrated forward in time. A multi-model estimate can for example be a weighted mean of the ensemble members. We propose to go a step further, and try to obtain synchronization between the imperfect models by connecting the multi-model ensemble, and exchanging information. The combined multi-model ensemble is also known as a supermodel. The supermodel has learned from observations how to optimally exchange information between the ensemble members. In this study we focused on the density and formulation of the onnections within the supermodel. The main question was whether we could obtain syn-chronization between two climate models when connecting only a subset of their state spaces. Limiting the connected subspace has two advantages: 1) it limits the transfer of data (bytes) between the ensemble, which can be a limiting factor in large scale climate models, and 2) learning the optimal connection strategy from observations is easier. To answer the research question, we connected two identical quasi-geostrohic (QG) atmospheric models to each other, where the model have different initial conditions. The QG model is a qualitatively realistic simulation of the winter flow on the Northern hemisphere, has three layers and uses a spectral imple-mentation. We connected the models in the original spherical harmonical state space, and in linear combinations of these spherical harmonics, i.e. Empirical Orthogonal Functions (EOFs). We show that when connecting through spherical harmonics, we only need to connect 28% of the state variables to obtain synchronization. In addition, when connecting through EOFs, we can reduce this percentage even more to 12%. This reduction is caused by the more efficient description of the model state variables when using EOFs. The connected state variables center around the medium scale structures in the model. Small and large scale structures need not be connected in order to obtain synchronization. This could be related to the baroclinic instabilities in the QG model which are located in the medium scale structures of the model. The baroclinic instabilities are the main source of divergence between the two connected models.

Multi-Sided Markets for Transforming Healthcare Service Delivery.

PubMed

Kuziemsky, Craig; Vimarlund, Vivian

2018-01-01

Changes in healthcare delivery needs have necessitated the design of new models for connecting providers and consumers of services. While healthcare delivery has traditionally been a push market, multi-sided markets offer the potential for transitioning to a pull market for service delivery. However, there is a need to better understand the business model for multi-sided markets as a first step to using them in healthcare. This paper addressed that need and describes a multi-sided market evaluation framework. Our framework identifies patient, governance and service delivery as three levels of brokerage consideration for evaluating multi-sided markets in healthcare.

Geometry induced phase transitions in magnetic spherical shell

NASA Astrophysics Data System (ADS)

Sloika, Mykola I.; Sheka, Denis D.; Kravchuk, Volodymyr P.; Pylypovskyi, Oleksandr V.; Gaididei, Yuri

2017-12-01

Equilibrium magnetization states in spherical shells of a magnetically soft ferromagnet form two out-of-surface vortices with codirectionally magnetized vortex cores at the sphere poles: (i) a whirligig state with the in-surface magnetization oriented along parallels is typical for thick shells; (ii) a three dimensional onion state with the in-surface meridional direction of the magnetization is realized in thin shells. The geometry of spherical shell prohibits an existence of spatially homogeneous magnetization distribution, even in the case of small sample radii. By varying geometrical parameters a continuous phase transition between the whirligig and onion states takes place. The detailed analytical description of the phase diagram is well confirmed by micromagnetic simulations.

Foundations of modelling of nonequilibrium low-temperature plasmas

NASA Astrophysics Data System (ADS)

Alves, L. L.; Bogaerts, A.; Guerra, V.; Turner, M. M.

2018-02-01

This work explains the need for plasma models, introduces arguments for choosing the type of model that better fits the purpose of each study, and presents the basics of the most common nonequilibrium low-temperature plasma models and the information available from each one, along with an extensive list of references for complementary in-depth reading. The paper presents the following models, organised according to the level of multi-dimensional description of the plasma: kinetic models, based on either a statistical particle-in-cell/Monte-Carlo approach or the solution to the Boltzmann equation (in the latter case, special focus is given to the description of the electron kinetics); multi-fluid models, based on the solution to the hydrodynamic equations; global (spatially-average) models, based on the solution to the particle and energy rate-balance equations for the main plasma species, usually including a very complete reaction chemistry; mesoscopic models for plasma-surface interaction, adopting either a deterministic approach or a stochastic dynamical Monte-Carlo approach. For each plasma model, the paper puts forward the physics context, introduces the fundamental equations, presents advantages and limitations, also from a numerical perspective, and illustrates its application with some examples. Whenever pertinent, the interconnection between models is also discussed, in view of multi-scale hybrid approaches.

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

NASA Astrophysics Data System (ADS)

Hansen, Stephanie

2017-10-01

The burning core of an inertial confinement fusion (ICF) plasma at stagnation is surrounded by a shell of warm, dense matter whose properties are difficult both to model (due to a complex interplay of thermal, degeneracy, and strong coupling effects) and to diagnose (due to low emissivity and high opacity). We demonstrate a promising technique to study the warm dense shells of ICF plasmas based on the fluorescence emission of dopants or impurities in the shell material. This emission, which is driven by x-rays produced in the hot core, exhibits signature changes in response to compression and heating. High-resolution measurements of absorption and fluorescence features can refine our understanding of the electronic structure of material under high compression, improve our models of density-driven phenomena such as ionization potential depression and plasma polarization shifts, and help diagnose shell density, temperature, mass distribution, and residual motion in ICF plasmas at stagnation. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA-0003525. This work was supported by the U.S. Department of Energy, Office of Science Early Career Research Program, Office of Fusion Energy Sciences under FWP-14-017426.

Analysis of Thick Sandwich Shells with Embedded Ceramic Tiles

NASA Technical Reports Server (NTRS)

Davila, Carlos G.; Smith, C.; Lumban-Tobing, F.

1996-01-01

The Composite Armored Vehicle (CAV) is an advanced technology demonstrator of an all-composite ground combat vehicle. The CAV upper hull is made of a tough light-weight S2-glass/epoxy laminate with embedded ceramic tiles that serve as armor. The tiles are bonded to a rubber mat with a carefully selected, highly viscoelastic adhesive. The integration of armor and structure offers an efficient combination of ballistic protection and structural performance. The analysis of this anisotropic construction, with its inherent discontinuous and periodic nature, however, poses several challenges. The present paper describes a shell-based 'element-layering' technique that properly accounts for these effects and for the concentrated transverse shear flexibility in the rubber mat. One of the most important advantages of the element-layering technique over advanced higher-order elements is that it is based on conventional elements. This advantage allows the models to be portable to other structural analysis codes, a prerequisite in a program that involves the computational facilities of several manufacturers and government laboratories. The element-layering technique was implemented into an auto-layering program that automatically transforms a conventional shell model into a multi-layered model. The effects of tile layer homogenization, tile placement patterns, and tile gap size on the analysis results are described.

Lifetime Measurement of Nickel-58 Using RDM with GRETINA

NASA Astrophysics Data System (ADS)

Loelius, Charles

2014-09-01

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

Spectroscopy of Al wire array stagnation on Z

NASA Astrophysics Data System (ADS)

Jones, B.; Jennings, C. A.; Hansen, S. B.; Bailey, J. E.; Rochau, G. A.; Coverdale, C. A.; Yu, E. P.; Ampleford, D. J.; Cuneo, M. E.; Maron, Y.; Fisher, V. I.; Bernshtam, V.; Starobinets, A.; Weingarten, L.; Pinhas, S.

2011-10-01

In this work, we present analysis of time-gated spectra of ~2 keV K-shell emissions from Al (5% Mg) wire arrays on Z to provide details of the plasma conditions and dynamics at the onset of stagnation. The plasma is modeled as concentric radial zones, and collisional-radiative modeling with self-consistent radiation transport is used to constrain the temperatures and densities in these regions. A hot ~2 keV plasma core bearing a few percent of the total mass forms at the foot of the x-ray pulse, with participating mass increasing toward peak x-ray power as material arrives on axis with ~50 cm/ μs implosion velocity. The atomic modeling accounts for K-shell line opacity and Doppler effects, and is compared to 3D MHD simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE National Nuclear Security Administration under contract DE-AC04-94AL85000.

Analytical modelling of temperature effects on an AMPA-type synapse.

PubMed

Kufel, Dominik S; Wojcik, Grzegorz M

2018-05-11

It was previously reported, that temperature may significantly influence neural dynamics on the different levels of brain function. Thus, in computational neuroscience, it would be useful to make models scalable for a wide range of various brain temperatures. However, lack of experimental data and an absence of temperature-dependent analytical models of synaptic conductance does not allow to include temperature effects at the multi-neuron modeling level. In this paper, we propose a first step to deal with this problem: A new analytical model of AMPA-type synaptic conductance, which is able to incorporate temperature effects in low-frequency stimulations. It was constructed based on Markov model description of AMPA receptor kinetics using the set of coupled ODEs. The closed-form solution for the set of differential equations was found using uncoupling assumption (introduced in the paper) with few simplifications motivated both from experimental data and from Monte Carlo simulation of synaptic transmission. The model may be used for computationally efficient and biologically accurate implementation of temperature effects on AMPA receptor conductance in large-scale neural network simulations. As a result, it may open a wide range of new possibilities for researching the influence of temperature on certain aspects of brain functioning.

Determination of HCME 3-D parameters using a full ice-cream cone model

NASA Astrophysics Data System (ADS)

Na, Hyeonock; Moon, Yong-Jae; Lee, Harim

2016-05-01

It is very essential to determine three dimensional parameters (e.g., radial speed, angular width, source location) of Coronal Mass Ejections (CMEs) for space weather forecast. Several cone models (e.g., an elliptical cone model, an ice-cream cone model, an asymmetric cone model) have been examined to estimate these parameters. In this study, we investigate which cone type is close to a halo CME morphology using 26 CMEs: halo CMEs by one spacecraft (SOHO or STEREO-A or B) and as limb CMEs by the other ones. From cone shape parameters of these CMEs such as their front curvature, we find that near full ice-cream cone type CMEs are much closer to observations than shallow ice-cream cone type CMEs. Thus we develop a new cone model in which a full ice-cream cone consists of many flat cones with different heights and angular widths. This model is carried out by the following steps: (1) construct a cone for given height and angular width, (2) project the cone onto the sky plane, (3) select points comprising the outer boundary, and (4) minimize the difference between the estimated projection speeds with the observed ones. By applying this model to 12 SOHO/LASCO halo CMEs, we find that 3-D parameters from our method are similar to those from other stereoscopic methods (a geometrical triangulation method and a Graduated Cylindrical Shell model) based on multi-spacecraft data. We are developing a general ice-cream cone model whose front shape is a free parameter determined by observations.

Theory of morphological transformation of viral capsid shell during the maturation process in the HK97 bacteriophage and similar viruses

NASA Astrophysics Data System (ADS)

Konevtsova, O. V.; Lorman, V. L.; Rochal, S. B.

2016-05-01

We consider the symmetry and physical origin of collective displacement modes playing a crucial role in the morphological transformation during the maturation of the HK97 bacteriophage and similar viruses. It is shown that the experimentally observed hexamer deformation and pentamer twist in the HK97 procapsid correspond to the simplest irreducible shear strain mode of a spherical shell. We also show that the icosahedral faceting of the bacteriophage capsid shell is driven by the simplest irreducible radial displacement field. The shear field has the rotational icosahedral symmetry group I while the radial field has the full icosahedral symmetry Ih. This difference makes their actions independent. The radial field sign discriminates between the icosahedral and the dodecahedral shapes of the faceted capsid shell, thus making the approach relevant not only for the HK97-like viruses but also for the parvovirus family. In the frame of the Landau-Ginzburg formalism we propose a simple phenomenological model valid for the first reversible step of the HK97 maturation process. The calculated phase diagram illustrates the discontinuous character of the virus shape transformation. The characteristics of the virus shell faceting and expansion obtained in the in vitro and in vivo experiments are related to the decrease in the capsid shell thickness and to the increase of the internal capsid pressure.

Radiation tolerance of low resistivity, high voltage silicon solar cells

NASA Technical Reports Server (NTRS)

Weizer, V. G.; Weinberg, I.; Swartz, C. K.

1984-01-01

The radiation tolerance of the following three low resistivity, high voltage silicon solar cells was investigated: (1) the COMSAT MSD (multi-step diffused) cell, (2) the MinMIS cell, and (3) the MIND cell. A description of these solar cells is given along with drawings of their configurations. The diffusion length damage coefficients for the cells were calculated and presented. Solar cell spectral response was also discussed. Cells of the MinMIS type were judged to be unsuitable for use in the space radiation environment.

Material Distribution Optimization for the Shell Aircraft Composite Structure

NASA Astrophysics Data System (ADS)

Shevtsov, S.; Zhilyaev, I.; Oganesyan, P.; Axenov, V.

2016-09-01

One of the main goal in aircraft structures designing isweight decreasing and stiffness increasing. Composite structures recently became popular in aircraft because of their mechanical properties and wide range of optimization possibilities.Weight distribution and lay-up are keys to creating lightweight stiff strictures. In this paperwe discuss optimization of specific structure that undergoes the non-uniform air pressure at the different flight conditions and reduce a level of noise caused by the airflowinduced vibrations at the constrained weight of the part. Initial model was created with CAD tool Siemens NX, finite element analysis and post processing were performed with COMSOL Multiphysicsr and MATLABr. Numerical solutions of the Reynolds averaged Navier-Stokes (RANS) equations supplemented by k-w turbulence model provide the spatial distributions of air pressure applied to the shell surface. At the formulation of optimization problem the global strain energy calculated within the optimized shell was assumed as the objective. Wall thickness has been changed using parametric approach by an initiation of auxiliary sphere with varied radius and coordinates of the center, which were the design variables. To avoid a local stress concentration, wall thickness increment was defined as smooth function on the shell surface dependent of auxiliary sphere position and size. Our study consists of multiple steps: CAD/CAE transformation of the model, determining wind pressure for different flow angles, optimizing wall thickness distribution for specific flow angles, designing a lay-up for optimal material distribution. The studied structure was improved in terms of maximum and average strain energy at the constrained expense ofweight growth. Developed methods and tools can be applied to wide range of shell-like structures made of multilayered quasi-isotropic laminates.

Hen uterine gene expression profiling during eggshell formation reveals putative proteins involved in the supply of minerals or in the shell mineralization process

PubMed Central

2014-01-01

Background The chicken eggshell is a natural mechanical barrier to protect egg components from physical damage and microbial penetration. Its integrity and strength is critical for the development of the embryo or to ensure for consumers a table egg free of pathogens. This study compared global gene expression in laying hen uterus in the presence or absence of shell calcification in order to characterize gene products involved in the supply of minerals and / or the shell biomineralization process. Results Microarrays were used to identify a repertoire of 302 over-expressed genes during shell calcification. GO terms enrichment was performed to provide a global interpretation of the functions of the over-expressed genes, and revealed that the most over-represented proteins are related to reproductive functions. Our analysis identified 16 gene products encoding proteins involved in mineral supply, and allowed updating of the general model describing uterine ion transporters during eggshell calcification. A list of 57 proteins potentially secreted into the uterine fluid to be active in the mineralization process was also established. They were classified according to their potential functions (biomineralization, proteoglycans, molecular chaperone, antimicrobials and proteases/antiproteases). Conclusions Our study provides detailed descriptions of genes and corresponding proteins over-expressed when the shell is mineralizing. Some of these proteins involved in the supply of minerals and influencing the shell fabric to protect the egg contents are potentially useful biological markers for the genetic improvement of eggshell quality. PMID:24649854

Ascending Stairway Modeling: A First Step Toward Autonomous Multi-Floor Exploration

DTIC Science & Technology

2012-10-01

Many robotics platforms are capable of ascending stairways, but all existing approaches for autonomous stair climbing use stairway detection as a...the rich potential of an autonomous ground robot that can climb stairs while exploring a multi-floor building. Our proposed solution to this problem is...over several steps. However, many ground robots are not capable of traversing tight spiral stairs , and so we do not focus on these types. The stairway is

A triangular thin shell finite element: Nonlinear analysis. [structural analysis

NASA Technical Reports Server (NTRS)

Thomas, G. R.; Gallagher, R. H.

1975-01-01

Aspects of the formulation of a triangular thin shell finite element which pertain to geometrically nonlinear (small strain, finite displacement) behavior are described. The procedure for solution of the resulting nonlinear algebraic equations combines a one-step incremental (tangent stiffness) approach with one iteration in the Newton-Raphson mode. A method is presented which permits a rational estimation of step size in this procedure. Limit points are calculated by means of a superposition scheme coupled to the incremental side of the solution procedure while bifurcation points are calculated through a process of interpolation of the determinants of the tangent-stiffness matrix. Numerical results are obtained for a flat plate and two curved shell problems and are compared with alternative solutions.

Multi-zinc oxide-cores@uni-barium sulfate-shell with improved photo-, thermal-, and ambient-stability: Non-equilibrium sorption fabrication and light-emitting diodes application.

PubMed

Liang, Ya-Chuan; Liu, Kai-Kai; Wu, Xue-Ying; Lu, Xian-Li; Lu, Ying-Jie; Zhao, Qi; Shan, Chong-Xin

2018-05-29

ZnO as an eco-friendly material shows bright luminescence under UV illumination when it is tailored into nanoscale size, which makes it a promising luminescent nanomaterial. However, the poor stability of ZnO hinders its applications drastically. In this work, multi-ZnO-cores@uni-BaSO 4 -shell (mZnO@uBaSO 4 ) nanocomposite has been prepared through a non-equilibrium sorption process employing ZnO QDs as the "seeds" and BaSO 4 as the "valve". The mZnO@uBaSO 4 nanocomposite shows improved photo-, thermal- and ambient-stability compare with bare ZnO QDs. The fluorescence efficiency of the mZnO@uBaSO 4 nanocomposite decreases little even after 60 h of UV irradiation compare with ZnO QDs. The mZnO@uBaSO 4 nanocomposite shows bright luminescence with little decrease even the ambient temperature up to 160 °C and the nanocomposite shows strong resistance to harsh environment. By coating the mZnO@uBaSO 4 nanocomposite and commercial phosphors onto UV-chip, light-emitting diode (LED) with correlated color temperature, Commission Internationale de L'Eclairage coordinate, color rendering index and luminous efficiency of 6109 K, (0.32, 0.33), 85 and 47.33 lm/W have been realized, and this will make a great step towards eco-friendly UV-pumped LEDs. Copyright © 2018. Published by Elsevier Inc.

Proxy-SU(3) symmetry in heavy deformed nuclei

NASA Astrophysics Data System (ADS)

Bonatsos, Dennis; Assimakis, I. E.; Minkov, N.; Martinou, Andriana; Cakirli, R. B.; Casten, R. F.; Blaum, K.

2017-06-01

Background: Microscopic calculations of heavy nuclei face considerable difficulties due to the sizes of the matrices that need to be solved. Various approximation schemes have been invoked, for example by truncating the spaces, imposing seniority limits, or appealing to various symmetry schemes such as pseudo-SU(3). This paper proposes a new symmetry scheme also based on SU(3). This proxy-SU(3) can be applied to well-deformed nuclei, is simple to use, and can yield analytic predictions. Purpose: To present the new scheme and its microscopic motivation, and to test it using a Nilsson model calculation with the original shell model orbits and with the new proxy set. Method: We invoke an approximate, analytic, treatment of the Nilsson model, that allows the above vetting and yet is also transparent in understanding the approximations involved in the new proxy-SU(3). Results: It is found that the new scheme yields a Nilsson diagram for well-deformed nuclei that is very close to the original Nilsson diagram. The specific levels of approximation in the new scheme are also shown, for each major shell. Conclusions: The new proxy-SU(3) scheme is a good approximation to the full set of orbits in a major shell. Being able to replace a complex shell model calculation with a symmetry-based description now opens up the possibility to predict many properties of nuclei analytically and often in a parameter-free way. The new scheme works best for heavier nuclei, precisely where full microscopic calculations are most challenged. Some cases in which the new scheme can be used, often analytically, to make specific predictions, are shown in a subsequent paper.

Description of a new species Gyraulus (Pulmonata: Planorbidae) from the land thermal spring Khakusy of Lake Baikal.

PubMed

Sitnikova, Tatiana; Peretolchina, Tatiana

2018-01-01

A new species of the family Planorbidae is described from the land thermal spring Khakusy, on the north-eastern shore of Lake Baikal. The description of Gyraulus takhteevi sp. n. includes morphological characters and gene sequences (COI of mtDNA) for the species separation from sister taxon Gyraulus acronicus (A. Férussac, 1807) collected from the small Krestovka River in-flowing into the south-western part of the Lake. The new species differs from G. acronicus in small shell size of adults, having smaller number of prostate folds (maximal up to 26 in G. takhteevi n. sp. vs. 40 in G. acronicus ), a short preputium (approximately twice shorter than the phallotheca), and an elongated bursa copulatrix. The population of Gyraulus takhteevi sp. n. consists of two co-existent morphs: one of them has a narrow shell spire and the second is characterized by wide spire similar to the shell of G. acronicus . One of the two revealed haplotypes of the new species includes both morphs, while the second consists of snails with wide spired shells.

Description of Hydration Water in Protein (Green Fluorescent Protein) Solution

DOE PAGES

Perticaroli, Stefania; Ehlers, Georg; Stanley, Christopher B.; ...

2016-10-26

The structurally and dynamically perturbed hydration shells that surround proteins and biomolecules have a substantial influence upon their function and stability. This makes the extent and degree of water perturbation of practical interest for general biological study and industrial formulation. Here, we present an experimental description of the dynamical perturbation of hydration water around green fluorescent protein in solution. Less than two shells (~5.5 Å) were perturbed, with dynamics a factor of 2–10 times slower than bulk water, depending on their distance from the protein surface and the probe length of the measurement. Furthermore, this dependence on probe length demonstratesmore » that hydration water undergoes subdiffusive motions (τ ∝ q –2.5 for the first hydration shell, τ ∝ q –2.3 for perturbed water in the second shell), an important difference with neat water, which demonstrates diffusive behavior (τ ∝ q –2). Our results help clarify the seemingly conflicting range of values reported for hydration water retardation as a logical consequence of the different length scales probed by the analytical techniques used.« less

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Acoustic resonance scattering from a multilayered cylindrical shell with imperfect bonding.

PubMed

Rajabi, M; Hasheminejad, Seyyed M

2009-12-01

The method of wave function expansion is adopted to study the three dimensional scattering of a time-harmonic plane progressive sound field obliquely incident upon a multi-layered hollow cylinder with interlaminar bonding imperfection. For the generality of solution, each layer is assumed to be cylindrically orthotropic. An approximate laminate model in the context of the modal state equations with variable coefficients along with the classical T-matrix solution technique is set up for each layer to solve for the unknown modal scattering and transmission coefficients. A linear spring model is used to describe the interlaminar adhesive bonding whose effects are incorporated into the global transfer matrix by introduction of proper interfacial transfer matrices. Following the classic acoustic resonance scattering theory (RST), the scattered field and response to surface waves are determined by constructing the partial waves and obtaining the non-resonance (backgrounds) and resonance components. The solution is first used to investigate the effect of interlayer imperfection of an air-filled and water submerged bilaminate aluminium cylindrical shell on the resonances associated with various modes of wave propagation (i.e., symmetric/asymmetric Lamb waves, fluid-borne A-type waves, Rayleigh and Whispering Gallery waves) appearing in the backscattered spectrum, according to their polarization and state of stress. An illustrative numerical example is also given for a multi-layered (five-layered) cylindrical shell for which the stiffness of the adhesive interlayers is artificially varied. The sensitivity of resonance frequencies associated with higher mode numbers to the stiffness coefficients is demonstrated to be a good measure of the bonding strength. Limiting cases are considered and fair agreements with solutions available in the literature are established.

The effect of multi-directional nanocomposite materials on the vibrational response of thick shell panels with finite length and rested on two-parameter elastic foundations

NASA Astrophysics Data System (ADS)

Tahouneh, Vahid; Naei, Mohammad Hasan

2016-03-01

The main purpose of this paper is to investigate the effect of bidirectional continuously graded nanocomposite materials on free vibration of thick shell panels rested on elastic foundations. The elastic foundation is considered as a Pasternak model after adding a shear layer to the Winkler model. The panels reinforced by randomly oriented straight single-walled carbon nanotubes are considered. The volume fractions of SWCNTs are assumed to be graded not only in the radial direction, but also in axial direction of the curved panel. This study presents a 2-D six-parameter power-law distribution for CNTs volume fraction of 2-D continuously graded nanocomposite that gives designers a powerful tool for flexible designing of structures under multi-functional requirements. The benefit of using generalized power-law distribution is to illustrate and present useful results arising from symmetric, asymmetric and classic profiles. The material properties are determined in terms of local volume fractions and material properties by Mori-Tanaka scheme. The 2-D differential quadrature method as an efficient numerical tool is used to discretize governing equations and to implement boundary conditions. The fast rate of convergence of the method is shown and results are compared against existing results in literature. Some new results for natural frequencies of the shell are prepared, which include the effects of elastic coefficients of foundation, boundary conditions, material and geometrical parameters. The interesting results indicate that a graded nanocomposite volume fraction in two directions has a higher capability to reduce the natural frequency than conventional 1-D functionally graded nanocomposite materials.

Influence of Natural Convection and Thermal Radiation Multi-Component Transport in MOCVD Reactors

NASA Technical Reports Server (NTRS)

Lowry, S.; Krishnan, A.; Clark, I.

1999-01-01

The influence of Grashof and Reynolds number in Metal Organic Chemical Vapor (MOCVD) reactors is being investigated under a combined empirical/numerical study. As part of that research, the deposition of Indium Phosphide in an MOCVD reactor is modeled using the computational code CFD-ACE. The model includes the effects of convection, conduction, and radiation as well as multi-component diffusion and multi-step surface/gas phase chemistry. The results of the prediction are compared with experimental data for a commercial reactor and analyzed with respect to the model accuracy.

Finite element modeling and analysis of tires

NASA Technical Reports Server (NTRS)

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

1983-01-01

Predicting the response of tires under various loading conditions using finite element technology is addressed. Some of the recent advances in finite element technology which have high potential for application to tire modeling problems are reviewed. The analysis and modeling needs for tires are identified. Reduction methods for large-scale nonlinear analysis, with particular emphasis on treatment of combined loads, displacement-dependent and nonconservative loadings; development of simple and efficient mixed finite element models for shell analysis, identification of equivalent mixed and purely displacement models, and determination of the advantages of using mixed models; and effective computational models for large-rotation nonlinear problems, based on a total Lagrangian description of the deformation are included.

Gravitational mechanism of active life of the Earth, planets and satellites

NASA Astrophysics Data System (ADS)

Barkin, Yury

2010-05-01

From positions of geodynamic model of the forced gravitational swing, wobble and displacements of shells of a planet are studied and fundamental problems of geodynamics, geology, geophysics, planetary sciences are solved etc.: 1) The mechanism of cyclic variations of activity of natural processes in various time scales. 2) The power of endogenous activity of planetary natural processes on planets and satellites. 3) The phenomenon of polar inversion of natural processes on planets and satellites. 4) Spasmodic and catastrophic changes of activity of natural processes. 5) The phenomenon of twisting of hemispheres (latitude zones or belts) of celestial bodies. 6) Formation of the pear-shaped form of celestial bodies and the mechanism of its change. 7) The ordered planetary structures of geological formations. 8) The phenomena of bipolarity of celestial bodies and antipodality of geology formations. Mechanism. The fundamental feature of a structure of celestial bodies is their shell structure. The most investigated is the internal structure of the Earth. For the Moon and wide set of other bodies of solar system models of an internal structure have been constructed on the basis of the data of observations obtained at studying of their gravitational fields as a result of realization of the appropriate space missions. The basic components for the majority of celestial bodies are the core, the mantle and the crust. To other shells we concern atmospheres (for example, at Venus, Mars, the Titan etc.) and oceanic shells (the Titan, the Earth, Enceladus etc.). Shells are the complex (composite) formations. Planets and satellites are not spherical celestial bodies. The centers of mass of shells of the given planet (or the satellite) and their appropriate principal axes of inertia do not coincide. Accordingly, all their shells are characterized by the certain dynamic oblatenesses. Differences of dynamical oblatenesses results in various forced influences of external celestial bodies on shells of the given body. Dynamical oblatenesses of shells, thus, characterize the endogenous activity of a planet by external celestial bodies. Other important factor of endogenous activity of a planet is a eccentric position of the centers of mass of the shells (for example, of the core and the mantle). The eccentricity of the shells is inherited during geological evolution of a planet as system of shells (Barkin, 2002). Consequences of exitation of the Earth system. The new tides (Barkin, 2005) are caused by relative displacements of the core and mantle. These displacements are reflected in variations of many natural processes due to gravitational action of the core. The displacing core causes deformations of all layers of viscous-elastic mantle. In the given work from more general positions the mechanisms of excitation of a system of shells of the Earth under action of a gravitational attraction of the Sun, the Moon and planets, the phenomena of their relative swings, translational displacements and turns relatively from each other, and the wide list geodynamical consequences of the specified excitation of the Earth are studied. At once we shall emphasize, that the developed geodynamic model has allowed to carry out the important dynamic researches of displacements of shells of the Earth, their deformations and changes, and variations of its natural processes and for the first time to explain the nature of such fundamental phenomena and processes in geodynamics, geology and geophysics as: cyclicity of natural processes and its mechanism; power of processes in various time scales; unity of cyclic processes and universality of their frequency bases; synchronism of geodynamic, geophysical, biophysical and social events; inversion, contrast and opposite directed changes of activity of natural processes in opposite hemispheres of the Earth; step-by-step variations of natural processes, sawtooth course of activity of natural processes in various time scales; orderliness in an distribution of geological formations on the Earth, planets and satellites; existence of antipodal formations on planets and satellites; the phenomenon of twisting of hemispheres of bodies of solar system, twisting of layers and latitudinal zones of shells of celestial bodies including inner layers and shells, etc. All the specified phenomena from the resulted list to some extent are discussed in the given work and illustrated on the basis of modern researches in Earth's sciences and the researches executed by means of space missions. In a complex, the executed researches have shown universality of discussed mechanisms and their important role in dynamics and geoevolution of planets and satellites in other planetary systems, and also stars and pulsars with the systems of planets (Barkin, 2009). Cyclicity. The excitation on the part of external celestial bodies of the system core-mantle depends from relative positions of external celestial bodies, from particularities of their perturbed orbital motions and from rotary motion of the planet. The specified motions have a cyclic nature which is shown in various time scales. Hence, and excitation of shells and their layers will have also cyclic character and to be shown in various time scales. Hence, cyclic variations of all planetary natural processes in all the variety widely should be observed, as takes place in reality. The periods of variations are characterized by extremely wide range - from hours up to tens and hundreds millions years. If the core makes slow secular drift relatively to the mantle all layers and shells of the Earth test secular deformation, thermodynamic and other changes. The cavity of the core and its flows are changed slowly that results in secular variations of a magnetic field (Barkin, 2002, 2009). Inversion and asymmetry of cyclic and secular variations of natural processes. The essence of it rather wide distributed phenomena is, that activity of natural processes varies in an antiphase in opposite hemispheres of the Earth (first of all in northern and southern hemispheres). Told concerns to all geodynamic and geophysical processes, to variations of physical fields, to tectonic and geodetic reorganizations of layers of the Earth, to redistributions of atmospheric, oceanic and other fluid masses of the Earth. The certain asymmetry of displays of processes in northern and southern hemispheres on the other hand is marked. So secular trends of some processes are contrast in northern and southern hemispheres, i.e. velocities of secular changes are essentially different. All described phenomena are caused first of all by cyclic oscillations and secular drift of the core to the north (in present epoch). In longer time scales the similar phenomena of inversion, dissymmetry also have place and determine a nature and style of displacements of continents and lithospheric plates, planetary magmatic activity and plume tectonics as a whole, formation of mountains, elevations and depressions, systems of lineaments and cracks, regressions and transgressions of sea level (Barkin, 2002). Synchronous steps of activity of natural processes. 'For an explanation of observably step-by-step variations of geodynamic and geophysical processes the mechanism of sharp sporadic relative displacements of the core and the mantle and deformations of the mantle in the certain periods of time (the phenomenon of "galloping of the core') is offered.

HYDROSCAPE: A SCAlable and ParallelizablE Rainfall Runoff Model for Hydrological Applications

NASA Astrophysics Data System (ADS)

Piccolroaz, S.; Di Lazzaro, M.; Zarlenga, A.; Majone, B.; Bellin, A.; Fiori, A.

2015-12-01

In this work we present HYDROSCAPE, an innovative streamflow routing method based on the travel time approach, and modeled through a fine-scale geomorphological description of hydrological flow paths. The model is designed aimed at being easily coupled with weather forecast or climate models providing the hydrological forcing, and at the same time preserving the geomorphological dispersion of the river network, which is kept unchanged independently on the grid size of rainfall input. This makes HYDROSCAPE particularly suitable for multi-scale applications, ranging from medium size catchments up to the continental scale, and to investigate the effects of extreme rainfall events that require an accurate description of basin response timing. Key feature of the model is its computational efficiency, which allows performing a large number of simulations for sensitivity/uncertainty analyses in a Monte Carlo framework. Further, the model is highly parsimonious, involving the calibration of only three parameters: one defining the residence time of hillslope response, one for channel velocity, and a multiplicative factor accounting for uncertainties in the identification of the potential maximum soil moisture retention in the SCS-CN method. HYDROSCAPE is designed with a simple and flexible modular structure, which makes it particularly prone to massive parallelization, customization according to the specific user needs and preferences (e.g., rainfall-runoff model), and continuous development and improvement. Finally, the possibility to specify the desired computational time step and evaluate streamflow at any location in the domain, makes HYDROSCAPE an attractive tool for many hydrological applications, and a valuable alternative to more complex and highly parametrized large scale hydrological models. Together with model development and features, we present an application to the Upper Tiber River basin (Italy), providing a practical example of model performance and characteristics.

Multiple Interfacial Fe3O4@BaTiO3/P(VDF-HFP) Core-Shell-Matrix Films with Internal Barrier Layer Capacitor (IBLC) Effects and High Energy Storage Density.

PubMed

Zhou, Ling; Fu, Qiuyun; Xue, Fei; Tang, Xiahui; Zhou, Dongxiang; Tian, Yahui; Wang, Geng; Wang, Chaohong; Gou, Haibo; Xu, Lei

2017-11-22

Flexible nanocomposites composed of high dielectric constant fillers and polymer matrix have shown great potential for electrostatic capacitors and energy storage applications. To obtain the composited material with high dielectric constant and high breakdown strength, multi-interfacial composited particles, which composed of conductive cores and insulating shells and possessed the internal barrier layer capacitor (IBLC) effect, were adopted as fillers. Thus, Fe 3 O 4 @BaTiO 3 core-shell particles were prepared and loaded into the poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) polymer matrix. As the mass fraction of core-shell fillers increased from 2.5 wt % to 30 wt %, the dielectric constant of the films increased, while the loss tangent remained at a low level (<0.05 at 1 kHz). Both high electric displacement and high electric breakdown strength were achieved in the films with 10 wt % core-shell fillers loaded. The maximum energy storage density of 7.018 J/cm 3 was measured at 2350 kV/cm, which shows significant enhancement than those of the pure P(VDF-HFP) films and analogous composited films with converse insulating-conductive core-shell fillers. A Maxwell-Wagner capacitor model was also adopted to interpret the efficiency of IBLC effects on the suppressed loss tangent and the superior breakdown strength. This work explored an effective approach to prepare dielectric nanocomposites for energy storage applications experimentally and theoretically.

Core-shell microspheres with porous nanostructured shells for liquid chromatography.

PubMed

Ahmed, Adham; Skinley, Kevin; Herodotou, Stephanie; Zhang, Haifei

2018-01-01

The development of new stationary phases has been the key aspect for fast and efficient high-performance liquid chromatography separation with relatively low backpressure. Core-shell particles, with a solid core and porous shell, have been extensively investigated and commercially manufactured in the last decade. The excellent performance of core-shell particles columns has been recorded for a wide range of analytes, covering small and large molecules, neutral and ionic (acidic and basic), biomolecules and metabolites. In this review, we first introduce the advance and advantages of core-shell particles (or more widely known as superficially porous particles) against non-porous particles and fully porous particles. This is followed by the detailed description of various methods used to fabricate core-shell particles. We then discuss the applications of common silica core-shell particles (mostly commercially manufactured), spheres-on-sphere particles and core-shell particles with a non-silica shell. This review concludes with a summary and perspective on the development of stationary phase materials for high-performance liquid chromatography applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interface engineered ferrite@ferroelectric core-shell nanostructures: A facile approach to impart superior magneto-electric coupling

NASA Astrophysics Data System (ADS)

Abraham, Ann Rose; Raneesh, B.; Das, Dipankar; Oluwafemi, Oluwatobi Samuel; Thomas, Sabu; Kalarikkal, Nandakumar

2018-04-01

The electric field control of magnetism in multiferroics is attractive for the realization of ultra-fast and miniaturized low power device applications like nonvolatile memories. Room temperature hybrid multiferroic heterostructures with core-shell (0-0) architecture (ferrite core and ferroelectric shell) were developed via a two-step method. High-Resolution Transmission Electron Microscopy (HRTEM) images confirm the core-shell structure. The temperature dependant magnetization measurements and Mossbauer spectra reveal superparamagnetic nature of the core-shell sample. The ferroelectric hysteresis loops reveal leaky nature of the samples. The results indicate the promising applications of the samples for magneto-electric memories and spintronics.

Rotorcraft control system design for uncertain vehicle dynamics using quantitative feedback theory

NASA Technical Reports Server (NTRS)

Hess, R. A.

1994-01-01

Quantitative Feedback Theory describes a frequency-domain technique for the design of multi-input, multi-output control systems which must meet time or frequency domain performance criteria when specified uncertainty exists in the linear description of the vehicle dynamics. This theory is applied to the design of the longitudinal flight control system for a linear model of the BO-105C rotorcraft. Uncertainty in the vehicle model is due to the variation in the vehicle dynamics over a range of airspeeds from 0-100 kts. For purposes of exposition, the vehicle description contains no rotor or actuator dynamics. The design example indicates the manner in which significant uncertainty exists in the vehicle model. The advantage of using a sequential loop closure technique to reduce the cost of feedback is demonstrated by example.

Titanium-Dioxide Nano-Fiber-Cotton Targets for Efficient Multi-keV X-Ray Generation

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

Tanabe, M; Nishimura, H; Fujioka, S

Multi-keV x-ray generation from low-density (27 {+-} 7 mg/cc) nano-fiber-cotton targets composed of titanium-dioxide has been investigated. The cotton targets were heated volumetrically and supersonically to a peak electron temperature of 2.3 keV, which is optimal to yield Ti K-shell x rays. Considerable enhancement of conversion efficiency (3.7 {+-} 0.5%) from incident laser energy into Ti K-shell x rays (4-6 keV band) was attained in comparison with that (1.4 {+-} 0.9%) for a planar Ti-foil target.

Titanium dioxide nanofiber-cotton targets for efficient multi-keV x-ray generation

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

Tanabe, Minoru; Nishimura, Hiroaki; Fujioka, Shinsuke

Multi-keV x-ray generation from low-density (27{+-}7 mg/cm{sup 3}) nanofiber-cotton targets composed of titanium dioxide has been investigated. The cotton targets were heated volumetrically and supersonically to a peak electron temperature of 2.3 keV, which is optimal to yield Ti K-shell x rays. Considerable enhancement of conversion efficiency [(3.7{+-}0.5)%] from incident laser energy into Ti K-shell x rays (4-6 keV band) was attained in comparison with that [(1.4{+-}0.9)%] for a planar Ti-foil target.

Strategies for developing competency models.

PubMed

Marrelli, Anne F; Tondora, Janis; Hoge, Michael A

2005-01-01

There is an emerging trend within healthcare to introduce competency-based approaches in the training, assessment, and development of the workforce. The trend is evident in various disciplines and specialty areas within the field of behavioral health. This article is designed to inform those efforts by presenting a step-by-step process for developing a competency model. An introductory overview of competencies, competency models, and the legal implications of competency development is followed by a description of the seven steps involved in creating a competency model for a specific function, role, or position. This modeling process is drawn from advanced work on competencies in business and industry.

The uniqueness of the solution of cone-like inversion models for halo CMEs

NASA Astrophysics Data System (ADS)

Zhao, X. P.

2006-12-01

Most of elliptic halo CMEs are believed to be formed by the Thompson scattering of the photospheric light by the 3-D cone-like shell of the CME plasma. To obtain the real propagation direction and angular width of the halo CMEs, such cone-like inversion models as the circular cone, the elliptic cone and the ice-cream cone models have been suggested recently. Because the number of given parameters that are used to characterize 2-D elliptic halo CMEs observed by one spacecraft are less than the number of unknown parameters that are used to characterize the 3-D elliptic cone model, the solution of the elliptic cone model is not unique. Since it is difficult to determine whether or not an observed halo CME is formed by an circular cone or elliptic cone shell, the solution of circular cone model may often be not unique too. To fix the problem of the uniqueness of the solution of various 3-D cone-like inversion models, this work tries to develop the algorithm for using the data from multi-spacecraft, such as the STEREO A and B, and the Solar Sentinels.

Combined Economic and Hydrologic Modeling to Support Collaborative Decision Making Processes

NASA Astrophysics Data System (ADS)

Sheer, D. P.

2008-12-01

For more than a decade, the core concept of the author's efforts in support of collaborative decision making has been a combination of hydrologic simulation and multi-objective optimization. The modeling has generally been used to support collaborative decision making processes. The OASIS model developed by HydroLogics Inc. solves a multi-objective optimization at each time step using a mixed integer linear program (MILP). The MILP can be configured to include any user defined objective, including but not limited too economic objectives. For example, an estimated marginal value for water for crops and M&I use were included in the objective function to drive trades in a model of the lower Rio Grande. The formulation of the MILP, constraints and objectives, in any time step is conditional: it changes based on the value of state variables and dynamic external forcing functions, such as rainfall, hydrology, market prices, arrival of migratory fish, water temperature, etc. It therefore acts as a dynamic short term multi-objective economic optimization for each time step. MILP is capable of solving a general problem that includes a very realistic representation of the physical system characteristics in addition to the normal multi-objective optimization objectives and constraints included in economic models. In all of these models, the short term objective function is a surrogate for achieving long term multi-objective results. The long term performance for any alternative (especially including operating strategies) is evaluated by simulation. An operating rule is the combination of conditions, parameters, constraints and objectives used to determine the formulation of the short term optimization in each time step. Heuristic wrappers for the simulation program have been developed improve the parameters of an operating rule, and are initiating research on a wrapper that will allow us to employ a genetic algorithm to improve the form of the rule (conditions, constraints, and short term objectives) as well. In the models operating rules represent different models of human behavior, and the objective of the modeling is to find rules for human behavior that perform well in terms of long term human objectives. The conceptual model used to represent human behavior incorporates economic multi-objective optimization for surrogate objectives, and rules that set those objectives based on current conditions and accounting for uncertainty, at least implicitly. The author asserts that real world operating rules follow this form and have evolved because they have been perceived as successful in the past. Thus, the modeling efforts focus on human behavior in much the same way that economic models focus on human behavior. This paper illustrates the above concepts with real world examples.

Multistage process for the production of bioethanol from almond shell.

PubMed

Kacem, Imen; Koubaa, Mohamed; Maktouf, Sameh; Chaari, Fatma; Najar, Taha; Chaabouni, Moncef; Ettis, Nadia; Ellouz Chaabouni, Semia

2016-07-01

This work describes the feasibility of using almond shell as feedstock for bioethanol production. A pre-treatment step was carried out using 4% NaOH for 60min at 121°C followed by 1% sulfuric acid for 60min at 121°C. Enzymatic saccharification of the pre-treated almond shell was performed using Penicillium occitanis enzymes. The process was optimized using a hybrid design with four parameters including the incubation time, temperature, enzyme loads, and polyethylene glycol (PEG) concentration. The optimum hydrolysis conditions led to a sugar yield of 13.5%. A detoxification step of the enzymatic hydrolysate was carried out at pH 5 using 1U/ml of laccase enzyme produced by Polyporus ciliatus. Fermenting efficiency of the hydrolysates was greatly improved by laccase treatment, increasing the ethanol yield from 30% to 84%. These results demonstrated the efficiency of using almond shell as a promising source for bioethanol production. Copyright © 2016 Elsevier Ltd. All rights reserved.

A Combinatorial Geometry Computer Description of the M9 ACE (Armored Combat Earthmover) Vehicle

DTIC Science & Technology

1984-12-01

program requires as input the M9 target descriptions as processed by the Geometric Information for Targets ( GIFT ) ’ computer code. The first step is...model of the target. This COM-GEOM target description is used as input to the Geometric Information For Targets ( GIFT ) computer code. Among other...things, the GIFT code traces shotlines through a COM-GEOM description from any specified aspect, listing pertinent information about each component hit

Recent Updates of A Multi-Phase Transport (AMPT) Model

NASA Astrophysics Data System (ADS)

Lin, Zi-Wei

2008-10-01

We will present recent updates to the AMPT model, a Monte Carlo transport model for high energy heavy ion collisions, since its first public release in 2004 and the corresponding detailed descriptions in Phys. Rev. C 72, 064901 (2005). The updates often result from user requests. Some of these updates expand the physics processes or descriptions in the model, while some updates improve the usability of the model such as providing the initial parton distributions or help avoid crashes on some operating systems. We will also explain how the AMPT model is being maintained and updated.

A new predictive multi-zone model for HCCI engine combustion

DOE PAGES

Bissoli, Mattia; Frassoldati, Alessio; Cuoci, Alberto; ...

2016-06-30

Here, this work introduces a new predictive multi-zone model for the description of combustion in Homogeneous Charge Compression Ignition (HCCI) engines. The model exploits the existing OpenSMOKE++ computational suite to handle detailed kinetic mechanisms, providing reliable predictions of the in-cylinder auto-ignition processes. All the elements with a significant impact on the combustion performances and emissions, like turbulence, heat and mass exchanges, crevices, residual burned gases, thermal and feed stratification are taken into account. Compared to other computational approaches, this model improves the description of mixture stratification phenomena by coupling a wall heat transfer model derived from CFD application with amore » proper turbulence model. Furthermore, the calibration of this multi-zone model requires only three parameters, which can be derived from a non-reactive CFD simulation: these adaptive variables depend only on the engine geometry and remain fixed across a wide range of operating conditions, allowing the prediction of auto-ignition, pressure traces and pollutants. This computational framework enables the use of detail kinetic mechanisms, as well as Rate of Production Analysis (RoPA) and Sensitivity Analysis (SA) to investigate the complex chemistry involved in the auto-ignition and the pollutants formation processes. In the final sections of the paper, these capabilities are demonstrated through the comparison with experimental data.« less

Charge and spin control of ultrafast electron and hole dynamics in single CdSe/ZnSe quantum dots

NASA Astrophysics Data System (ADS)

Hinz, C.; Gumbsheimer, P.; Traum, C.; Holtkemper, M.; Bauer, B.; Haase, J.; Mahapatra, S.; Frey, A.; Brunner, K.; Reiter, D. E.; Kuhn, T.; Seletskiy, D. V.; Leitenstorfer, A.

2018-01-01

We study the dynamics of photoexcited electrons and holes in single negatively charged CdSe/ZnSe quantum dots with two-color femtosecond pump-probe spectroscopy. An initial characterization of the energy level structure is performed at low temperatures and magnetic fields of up to 5 T. Emission and absorption resonances are assigned to specific transitions between few-fermion states by a theoretical model based on a configuration interaction approach. To analyze the dynamics of individual charge carriers, we initialize the quantum system into excited trion states with defined energy and spin. Subsequently, the time-dependent occupation of the trion ground state is monitored by spectrally resolved differential transmission measurements. We observe subpicosecond dynamics for a hole excited to the D shell. The energy dependence of this D -to-S shell intraband transition is investigated in quantum dots of varying size. Excitation of an electron-hole pair in the respective p shells leads to the formation of singlet and triplet spin configurations. Relaxation of the p -shell singlet is observed to occur on a time scale of a few picoseconds. Pumping of p -shell triplet transitions opens up two pathways with distinctly different scattering times. These processes are shown to be governed by the mixing of singlet and triplet states due to exchange interactions enabling simultaneous electron and hole spin flips. To isolate the relaxation channels, we align the spin of the residual electron by a magnetic field and employ laser pulses of defined helicity. This step provides ultrafast preparation of a fully inverted trion ground state of the quantum dot with near unity probability, enabling deterministic addition of a single photon to the probe pulse. Therefore our experiments represent a significant step towards using single quantum emitters with well-controled inversion to manipulate the photon statistics of ultrafast light pulses.

PARADIGM USING JOINT DETERMINISTIC GRID MODELING AND SUB-GRID VARIABILITY STOCHASTIC DESCRIPTION AS A TEMPLATE FOR MODEL EVALUATION

EPA Science Inventory

The goal of achieving verisimilitude of air quality simulations to observations is problematic. Chemical transport models such as the Community Multi-Scale Air Quality (CMAQ) modeling system produce volume averages of pollutant concentration fields. When grid sizes are such tha...

Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

2002-01-01

The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple model of a nanocrystal with spherical shape and centro-symmetric strain at the surface shell we obtain theoretical alp-Q values which match very well the alp-Q plots determined experimentally for Sic, GaN, and diamond nanopowders. The theoretical models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the surface shell. According to our calculations, the part of the diffraction pattern measured at relatively low diffraction vectors Q (below 10/angstrom) provides information on the surface strain, whle determination of the lattice parameters in the grain core requires measurements at large Q-values (above 15 - 20/angstrom).

Single-neutron orbits near 78Ni: Spectroscopy of the N = 49 isotope 79Zn

DOE PAGES

Orlandi, R.; Mücher, D.; Raabe, R.; ...

2014-12-09

Single-neutron states in the Z=30, N=49 isotope 79Zn have been populated using the 78Zn(d, p) 79Zn transfer reaction at REX-ISOLDE, CERN. The experimental setup allowed the combined detection of protons ejected in the reaction, and of γ rays emitted by 79Zn. The analysis reveals that the lowest excited states populated in the reaction lie at approximately 1 MeV of excitation, and involve neutron orbits above the N=50 shell gap. From the analysis of γ -ray data and of proton angular distributions, characteristic of the amount of angular momentum transferred, a 5/2 + configuration was assigned to a state at 983more » keV. Comparison with large-scale-shell-model calculations supports a robust neutron N=50 shell-closure for 78Ni. Finally, these data constitute an important step towards the understanding of the magicity of 78Ni and of the structure of nuclei in the region.« less

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

48 CFR 15.202 - Advisory multi-step process.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Advisory multi-step... Information 15.202 Advisory multi-step process. (a) The agency may publish a presolicitation notice (see 5.204... participate in the acquisition. This process should not be used for multi-step acquisitions where it would...

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

Ganesh, Panchapakesan; Kent, Paul R; Mochalin, Vadym N

We simulate the experimentally observed graphitization of nanodiamonds into multi-shell onion-like carbon nanostructures, also called carbon onions, at different temperatures, using reactive force fields. The simulations include long-range Coulomb and van der Waals interactions. Our results suggest that long-range interactions play a crucial role in the phase-stability and the graphitization process. Graphitization is both enthalpically and entropically driven and can hence be controlled with temperature. The outer layers of the nanodiamond have a lower kinetic barrier toward graphitization irrespective of the size of the nanodiamond and graphitize within a few-hundred picoseconds, with a large volume increase. The inner core ofmore » the nanodiamonds displays a large size-dependent kinetic barrier, and graphitizes much more slowly with abrupt jumps in the internal energy. It eventually graphitizes by releasing pressure and expands once the outer shells have graphitized. The degree of transformation at a particular temperature is thereby determined by a delicate balance between the thermal energy, long-range interactions, and the entropic/enthalpic free energy gained by graphitization. Upon full graphitization, a multi-shell carbon nanostructure appears, with a shell-shell spacing of about {approx}3.4 {angstrom} for all sizes. The shells are highly defective with predominantly five- and seven-membered rings to curve space. Larger nanodiamonds with a diameter of 4 nm can graphitize into spiral structures with a large ({approx}29-atom carbon ring) pore opening on the outermost shell. Such a large one-way channel is most attractive for a controlled insertion of molecules/ions such as Li ions, water, or ionic liquids, for increased electrochemical capacitor or battery electrode applications.« less

Implementation of Free-Formulation-Based Flat Shell Elements into NASA Comet Code and Development of Nonlinear Shallow Shell Element

NASA Technical Reports Server (NTRS)

Barut, A.; Madenci, Erdogan; Tessler, A.

1997-01-01

This study presents a transient nonlinear finite element analysis within the realm of a multi-body dynamics formulation for determining the dynamic response of a moderately thick laminated shell undergoing a rapid and large rotational motion and nonlinear elastic deformations. Nonlinear strain measure and rotation, as well as 'the transverse shear deformation, are explicitly included in the formulation in order to capture the proper motion-induced stiffness of the laminate. The equations of motion are derived from the virtual work principle. The analysis utilizes a shear deformable shallow shell element along with the co-rotational form of the updated Lagrangian formulation. The shallow shell element formulation is based on the Reissner-Mindlin and Marguerre theory.

Ontology-based reusable clinical document template production system.

PubMed

Nam, Sejin; Lee, Sungin; Kim, James G Boram; Kim, Hong-Gee

2012-01-01

Clinical documents embody professional clinical knowledge. This paper shows an effective clinical document template (CDT) production system that uses a clinical description entity (CDE) model, a CDE ontology, and a knowledge management system called STEP that manages ontology-based clinical description entities. The ontology represents CDEs and their inter-relations, and the STEP system stores and manages CDE ontology-based information regarding CDTs. The system also provides Web Services interfaces for search and reasoning over clinical entities. The system was populated with entities and relations extracted from 35 CDTs that were used in admission, discharge, and progress reports, as well as those used in nursing and operation functions. A clinical document template editor is shown that uses STEP.

Highly stable multi-wall carbon nanotubes@poly(3,4-ethylenedioxythiophene)/poly(styrene sulfonate) core-shell composites with three-dimensional porous nano-network for electrochemical capacitors

NASA Astrophysics Data System (ADS)

Zhou, Haihan; Han, Gaoyi; Chang, Yunzhen; Fu, Dongying; Xiao, Yaoming

2015-01-01

A facile and feasible electrochemical polymerization method has been used to construct the multi-wall carbon nanotubes@poly(3,4-ethylenedioxythiophene)/poly(styrene sulfonate) (MWCNTs@PEDOT/PSS) core-shell composites with three-dimensional (3D) porous nano-network microstructure. The composites are characterized with Fourier transform infrared spectroscopy, scanning electron microscope, and transmission electron microscopy. This special core-shell nanostructure can significantly reduce the ions diffusion distance and the 3D porous nano-network microstructure effectively enlarges the electrode/electrolyte interface. The electrochemical tests including cyclic voltammetry, galvanostatic charge/discharge measurements, and electrochemical impedance spectroscopy tests are performed, the results manifest the MWCNTs@PEDOT/PSS core-shell composites have superior capacitive behaviors and excellent cyclic stability, and a high areal capacitance of 98.1 mF cm-2 is achieved at 5 mV s-1 cyclic voltammetry scan. Furthermore, the MWCNTs@PEDOT/PSS composites exhibit obviously superior capacitive performance than that of PEDOT/PSS and PEDOT/Cl electrodes, indicating the effective composite of MWCNTs and PEDOT noticeably boosts the capacitive performance of PEDOT-based electrodes for electrochemical energy storage. Such a highly stable core-shell 3D network structural composite is very promising to be used as electrode materials for the high-performance electrochemical capacitors.

Luminescence emission from nonpolar Al0.3Ga0.7N/GaN core-shell and core-multi-shell nanowires

NASA Astrophysics Data System (ADS)

Namvari, E.; Shojaei, S.; Asgari, A.

2017-12-01

In the present work, we theoretically study the possibility of luminescence emission from two systems of nonpolar Al0.3Ga0.7N/GaN Core-shell and core-multi-shell c-axis oriented nanowires with hexagonal cross section. To obtain energy levels and wave functions through the solution of Schrodinger-Poisson equations, numerical Self-consistent procedure has been employed. N-type doping has been considered to investigate the two-dimensional electron gas formation and its effect on luminescence. The detailed analysis of the results as a function of the various structural parameters has been carried out. The results presents an examination of the band to band luminescence feature and its changes with involved parameters. We found that the size of the system determines the feature of luminescence emission. As main finding, our calculations show that the intensity of luminescence spectrum in facet to facet route of NW cross section is significant than that of corner to corner route. In addition, no shift of the peak position is observed with changing the amount of doping. Our numerical calculations give more insights into the luminescence emission of nonpolar GaN/AlGaN core/shell nanowire and have many implications in experiment.

Thermoviscoelastoplastic Deformation of Compound Shells of Revolution Made of a Damageable Material

NASA Astrophysics Data System (ADS)

Shevchenko, Yu. N.; Galishin, A. Z.; Babeshko, M. E.

2015-11-01

A technique for numerical analysis of the thermoviscoelastoplastic deformation of thin compound shells made of a damageable material in which a fracture front propagates is described. A procedure for automatic variation in the step of integration of the kinetic damage equation is developed. A two-layer cylindrical shell cooling by convection and subjected to internal pressure and tensile force is analyzed as an example. The numerical data are presented and analyzed

Ocean acidification: Towards a better understanding of calcite dissolution

NASA Astrophysics Data System (ADS)

Wilhelmus, Monica M.; Adkins, Jess; Menemenlis, Dimitris

2016-11-01

The drastic increase of anthropogenic CO2 emissions over the past two centuries has altered the chemical structure of the ocean, acidifying upper ocean waters. The net impact of this pH decrease on marine ecosystems is still unclear, given the unprecedented rate at which CO2 is being released into the atmosphere. As part of the carbon cycle, calcium carbonate dissolution in sediments neutralizes CO2: phytoplankton at the surface produce carbonate minerals, which sink and reach the seafloor after the organisms die. On time scales of thousands of years, the calcium carbonate in these shells ultimately reacts with CO2 in seawater. Research in this field has been extensive; nevertheless, the dissolution rate law, the impact of boundary layer transport, and the feedback with the global ocean carbon cycle remain controversial. Here, we (i) develop a comprehensive numerical framework via 1D modeling of carbonate dissolution in sediments, (ii) approximate its impact on water column properties by implementing a polynomial approximation to the system's response into a global ocean biogeochemistry general circulation model (OBGCM), and (iii) examine the OBGCM sensitivity response to different formulations of sediment boundary layer properties. We find that, even though the burial equilibration time scales of calcium carbonate are in the order of thousands of years, the formulation of a bottom sediment model along with an improved description of the dissolution rate law can have consequences on multi-year to decadal time scales.

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

Evaluation of accuracy in implant site preparation performed in single- or multi-step drilling procedures.

PubMed

Marheineke, Nadine; Scherer, Uta; Rücker, Martin; von See, Constantin; Rahlf, Björn; Gellrich, Nils-Claudius; Stoetzer, Marcus

2018-06-01

Dental implant failure and insufficient osseointegration are proven results of mechanical and thermal damage during the surgery process. We herein performed a comparative study of a less invasive single-step drilling preparation protocol and a conventional multiple drilling sequence. Accuracy of drilling holes was precisely analyzed and the influence of different levels of expertise of the handlers and additional use of drill template guidance was evaluated. Six experimental groups, deployed in an osseous study model, were representing template-guided and freehanded drilling actions in a stepwise drilling procedure in comparison to a single-drill protocol. Each experimental condition was studied by the drilling actions of respectively three persons without surgical knowledge as well as three highly experienced oral surgeons. Drilling actions were performed and diameters were recorded with a precision measuring instrument. Less experienced operators were able to significantly increase the drilling accuracy using a guiding template, especially when multi-step preparations are performed. Improved accuracy without template guidance was observed when experienced operators were executing single-step versus multi-step technique. Single-step drilling protocols have shown to produce more accurate results than multi-step procedures. The outcome of any protocol can be further improved by use of guiding templates. Operator experience can be a contributing factor. Single-step preparations are less invasive and are promoting osseointegration. Even highly experienced surgeons are achieving higher levels of accuracy by combining this technique with template guidance. Hereby template guidance enables a reduction of hands-on time and side effects during surgery and lead to a more predictable clinical diameter.

Extraction of chitin from red crab shell waste by cofermentation with Lactobacillus paracasei subsp. tolerans KCTC-3074 and Serratia marcescens FS-3.

PubMed

Jung, W J; Jo, G H; Kuk, J H; Kim, K Y; Park, R D

2006-06-01

For one-step extraction of chitin from red crab shell waste, cofermentation with Lactobacillus paracasei subsp. tolerans KCTC-3074, a lactic-acid-producing bacterium, and Serratia marcescens FS-3, a protease-producing bacterium, was conducted. Fermentation with single strain (L. 3074 or FS-3) was also conducted. At day 7, the pH in L. 3074, FS-3, and L. 3074+FS-3 (1:1) treatment decreased from 6.90 to 3.30, 5.88, and 3.48, respectively. Ash content in the residue after fermentation treatment of crab shells in L. 3074 and L. 3074+FS-3 (1:1) treatment drastically decreased from 41.2% to 3.19 and 1.15%, respectively. In L. 3074+FS-3 (1:1) cofermentation, the level of demineralization was the highest value of 97.2%, but the level of deproteinization in the cofermentation was 52.6% at day 7. Protein content in the treatment of FS-3 alone reduced from 22.4 to 3.62%. These results indicate that cofermentation of the shells using the two strains is efficient and applicable for the one-step extraction of crude chitin from red crab shell waste.

On-lattice agent-based simulation of populations of cells within the open-source Chaste framework.

PubMed

Figueredo, Grazziela P; Joshi, Tanvi V; Osborne, James M; Byrne, Helen M; Owen, Markus R

2013-04-06

Over the years, agent-based models have been developed that combine cell division and reinforced random walks of cells on a regular lattice, reaction-diffusion equations for nutrients and growth factors; and ordinary differential equations for the subcellular networks regulating the cell cycle. When linked to a vascular layer, this multiple scale model framework has been applied to tumour growth and therapy. Here, we report on the creation of an agent-based multi-scale environment amalgamating the characteristics of these models within a Virtual Physiological Human (VPH) Exemplar Project. This project enables reuse, integration, expansion and sharing of the model and relevant data. The agent-based and reaction-diffusion parts of the multi-scale model have been implemented and are available for download as part of the latest public release of Chaste (Cancer, Heart and Soft Tissue Environment; http://www.cs.ox.ac.uk/chaste/), part of the VPH Toolkit (http://toolkit.vph-noe.eu/). The environment functionalities are verified against the original models, in addition to extra validation of all aspects of the code. In this work, we present the details of the implementation of the agent-based environment, including the system description, the conceptual model, the development of the simulation model and the processes of verification and validation of the simulation results. We explore the potential use of the environment by presenting exemplar applications of the 'what if' scenarios that can easily be studied in the environment. These examples relate to tumour growth, cellular competition for resources and tumour responses to hypoxia (low oxygen levels). We conclude our work by summarizing the future steps for the expansion of the current system.

Multi-quasiparticle excitations in145Tb

NASA Astrophysics Data System (ADS)

Zheng, Yong; Zhou, Xiaohong; Zhang, Yuhu; Liu, Minliang; Guo, Yingxiang; Lei, Xiangguo; Hayakawa, T.; Oshima, M.; Toh, T.; Shizuma, T.; Katakura, J.; Hatsukawa, Y.; Matsuda, M.; Kusakari, H.; Sugawara, M.

2004-09-01

High-spin states in145Tb have been populated using the118Sn (32S, 1p4n) reaction at beam energy of 165 MeV. The level scheme of145Tb has been established up to Ex≈7.4 MeV. The level scheme shows characteristics of a spherical or slightly oblate nucleus. Based on the systematic trends of the level structure in the neighboring N=80 isotones, the level structure in145Tb below 2 MeV excitation is well eplained by coupling an h 11/2 valence proton to the even-even144Gd core. Above 2 MeV excitation, most of the yrast levels are interpreted with multi-quasiparticle shell-model configurations.

Linking the Grain Scale to Experimental Measurements and Other Scales

NASA Astrophysics Data System (ADS)

Vogler, Tracy

2017-06-01

A number of physical processes occur at the scale of grains that can have a profound influence on the behavior of materials under shock loading. Examples include inelastic deformation, pore collapse, fracture, friction, and internal wave reflections. In some cases such as the initiation of energetics and brittle fracture, these processes can have first order effects on the behavior of materials: the emergent behavior from the grain scale is the dominant one. In other cases, many aspects of the bulk behavior can be described by a continuum description, but some details of the behavior are missed by continuum descriptions. The multi-scale model paradigm envisions flow of information from smaller scales (atomic, dislocation, etc.) to the grain or mesoscale and the up to the continuum scale. A significant challenge in this approach is the need to validate each step. For the grain scale, diagnosing behavior is challenging because of the small spatial and temporal scales involved. Spatially resolved diagnostics have begun to shed light on these processes, and, more recently, advanced light sources have started to be used to probe behavior at the grain scale. In this talk, I will discuss some interesting phenomena that occur at the grain scale in shock loading, experimental approaches to probe the grain scale, and efforts to link the grain scale to smaller and larger scales. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE.

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

Multi-Quasiparticle Gamma-Band Structure in Neutron-Deficient Ce and Nd Isotopes

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

Sheikh, Javid; Bhat, G. H.; Palit, R.

2009-01-01

The newly developed multi-quasiparticle triaxial projected shell-model approach is employed to study the high-spin band structures in neutron-deficient even-even Ce and Nd isotopes. It is observed that gamma bands are built on each intrinsic configuration of the triaxial mean-field deformation. Due to the fact that a triaxial configuration is a superposition of several K states, the projection from these states results in several low-lying bands originating from the same intrinsic configuration. This generalizes the well-known concept of the surface gamma oscillation in deformed nuclei based on the ground state to gamma bands built on multi-quasiparticle configurations. This new feature providesmore » an alternative explanation on the observation of two I=10 aligning states in ^{134}Ce and both exhibiting a neutron character.« less

Community Multiscale Air Quality Model

EPA Science Inventory

The U.S. EPA developed the Community Multiscale Air Quality (CMAQ) system to apply a “one atmosphere” multiscale and multi-pollutant modeling approach based mainly on the “first principles” description of the atmosphere. The multiscale capability is supported by the governing di...

C-Shell Cookbook

NASA Astrophysics Data System (ADS)

Currie, Malcolm J.

This cookbook describes the fundamentals of writing scripts using the UNIX C shell. It shows how to combine Starlink and private applications with shell commands and constructs to create powerful and time-saving tools for performing repetitive jobs, creating data-processing pipelines, and encapsulating useful recipes. The cookbook aims to give practical and reassuring examples to at least get you started without having to consult a UNIX manual. However, it does not offer a comprehensive description of C-shell syntax to prevent you from being overwhelmed or intimidated. The topics covered are: how to run a script, defining shell variables, prompting, arithmetic and string processing, passing information between Starlink applications, obtaining dataset attributes and FITS header information, processing multiple files and filename modification, command-line arguments and options, and loops. There is also a glossary.

Inference for finite-sample trajectories in dynamic multi-state site-occupancy models using hidden Markov model smoothing

USGS Publications Warehouse

Fiske, Ian J.; Royle, J. Andrew; Gross, Kevin

2014-01-01

Ecologists and wildlife biologists increasingly use latent variable models to study patterns of species occurrence when detection is imperfect. These models have recently been generalized to accommodate both a more expansive description of state than simple presence or absence, and Markovian dynamics in the latent state over successive sampling seasons. In this paper, we write these multi-season, multi-state models as hidden Markov models to find both maximum likelihood estimates of model parameters and finite-sample estimators of the trajectory of the latent state over time. These estimators are especially useful for characterizing population trends in species of conservation concern. We also develop parametric bootstrap procedures that allow formal inference about latent trend. We examine model behavior through simulation, and we apply the model to data from the North American Amphibian Monitoring Program.

Rapid identification of pearl powder from Hyriopsis cumingii by Tri-step infrared spectroscopy combined with computer vision technology

NASA Astrophysics Data System (ADS)

Liu, Siqi; Wei, Wei; Bai, Zhiyi; Wang, Xichang; Li, Xiaohong; Wang, Chuanxian; Liu, Xia; Liu, Yuan; Xu, Changhua

2018-01-01

Pearl powder, an important raw material in cosmetics and Chinese patent medicines, is commonly uneven in quality and frequently adulterated with low-cost shell powder in the market. The aim of this study is to establish an adequate approach based on Tri-step infrared spectroscopy with enhancing resolution combined with chemometrics for qualitative identification of pearl powder originated from three different quality grades of pearls and quantitative prediction of the proportions of shell powder adulterated in pearl powder. Additionally, computer vision technology (E-eyes) can investigate the color difference among different pearl powders and make it traceable to the pearl quality trait-visual color categories. Though the different grades of pearl powder or adulterated pearl powder have almost identical IR spectra, SD-IR peak intensity at about 861 cm- 1 (v2 band) exhibited regular enhancement with the increasing quality grade of pearls, while the 1082 cm- 1 (v1 band), 712 cm- 1 and 699 cm- 1 (v4 band) were just the reverse. Contrastly, only the peak intensity at 862 cm- 1 was enhanced regularly with the increasing concentration of shell powder. Thus, the bands in the ranges of (1550-1350 cm- 1, 730-680 cm- 1) and (830-880 cm- 1, 690-725 cm- 1) could be exclusive ranges to discriminate three distinct pearl powders and identify adulteration, respectively. For massive sample analysis, a qualitative classification model and a quantitative prediction model based on IR spectra was established successfully by principal component analysis (PCA) and partial least squares (PLS), respectively. The developed method demonstrated great potential for pearl powder quality control and authenticity identification in a direct, holistic manner.

Rapid identification of pearl powder from Hyriopsis cumingii by Tri-step infrared spectroscopy combined with computer vision technology.

PubMed

Liu, Siqi; Wei, Wei; Bai, Zhiyi; Wang, Xichang; Li, Xiaohong; Wang, Chuanxian; Liu, Xia; Liu, Yuan; Xu, Changhua

2018-01-15

Pearl powder, an important raw material in cosmetics and Chinese patent medicines, is commonly uneven in quality and frequently adulterated with low-cost shell powder in the market. The aim of this study is to establish an adequate approach based on Tri-step infrared spectroscopy with enhancing resolution combined with chemometrics for qualitative identification of pearl powder originated from three different quality grades of pearls and quantitative prediction of the proportions of shell powder adulterated in pearl powder. Additionally, computer vision technology (E-eyes) can investigate the color difference among different pearl powders and make it traceable to the pearl quality trait-visual color categories. Though the different grades of pearl powder or adulterated pearl powder have almost identical IR spectra, SD-IR peak intensity at about 861cm -1 (v 2 band) exhibited regular enhancement with the increasing quality grade of pearls, while the 1082cm -1 (v 1 band), 712cm -1 and 699cm -1 (v 4 band) were just the reverse. Contrastly, only the peak intensity at 862cm -1 was enhanced regularly with the increasing concentration of shell powder. Thus, the bands in the ranges of (1550-1350cm -1 , 730-680cm -1 ) and (830-880cm -1 , 690-725cm -1 ) could be exclusive ranges to discriminate three distinct pearl powders and identify adulteration, respectively. For massive sample analysis, a qualitative classification model and a quantitative prediction model based on IR spectra was established successfully by principal component analysis (PCA) and partial least squares (PLS), respectively. The developed method demonstrated great potential for pearl powder quality control and authenticity identification in a direct, holistic manner. Copyright © 2017. Published by Elsevier B.V.

Multi-model predictive control based on LMI: from the adaptation of the state-space model to the analytic description of the control law

NASA Astrophysics Data System (ADS)

Falugi, P.; Olaru, S.; Dumur, D.

2010-08-01

This article proposes an explicit robust predictive control solution based on linear matrix inequalities (LMIs). The considered predictive control strategy uses different local descriptions of the system dynamics and uncertainties and thus allows the handling of less conservative input constraints. The computed control law guarantees constraint satisfaction and asymptotic stability. The technique is effective for a class of nonlinear systems embedded into polytopic models. A detailed discussion of the procedures which adapt the partition of the state space is presented. For the practical implementation the construction of suitable (explicit) descriptions of the control law are described upon concrete algorithms.

A Model of RHIC Using the Unified Accelerator Libraries

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

Pilat, F.; Tepikian, S.; Trahern, C. G.

1998-01-01

The Unified Accelerator Library (UAL) is an object oriented and modular software environment for accelerator physics which comprises an accelerator object model for the description of the machine (SMF, for Standard Machine Format), a collection of Physics Libraries, and a Perl inte,face that provides a homo­geneous shell for integrating and managing these components. Currently available physics libraries include TEAPOT++, a collection of C++ physics modules conceptually derived from TEAPOT, and DNZLIB, a differential algebra package for map generation. This software environment has been used to build a flat model of RHIC which retains the hierarchical lat­tice description while assigning specificmore » characteristics to individual elements, such as measured field har­monics. A first application of the model and of the simulation capabilities of UAL has been the study of RHIC stability in the presence of siberian snakes and spin rotators. The building blocks of RHIC snakes and rotators are helical dipoles, unconventional devices that can not be modeled by traditional accelerator phys­ics codes and have been implemented in UAL as Taylor maps. Section 2 describes the RHIC data stores, Section 3 the RHIC SMF format and Section 4 the RHIC spe­cific Perl interface (RHIC Shell). Section 5 explains how the RHIC SMF and UAL have been used to study the RHIC dynamic behavior and presents detuning and dynamic aperture results. If the reader is not familiar with the motivation and characteristics of UAL, we include in the Appendix an useful overview paper. An example of a complete set of Perl Scripts for RHIC simulation can also be found in the Appendix.« less

Numerical analysis of stiffened shells of revolution. Volume 4: Engineer's program manual for STARS-2S shell theory automated for rotational structures - 2 (statics) digital computer program

NASA Technical Reports Server (NTRS)

Svalbonas, V.; Ogilvie, P.

1973-01-01

The engineering programming information for the digital computer program for analyzing shell structures is presented. The program is designed to permit small changes such as altering the geometry or a table size to fit the specific requirements. Each major subroutine is discussed and the following subjects are included: (1) subroutine description, (2) pertinent engineering symbols and the FORTRAN coded counterparts, (3) subroutine flow chart, and (4) subroutine FORTRAN listing.

Simulation of the stress computation in shells

NASA Technical Reports Server (NTRS)

Salama, M.; Utku, S.

1978-01-01

A self-teaching computer program is described, whereby the stresses in thin shells can be computed with good accuracy using the best fit approach. The program is designed for use in interactive game mode to allow the structural engineer to learn about (1) the major sources of difficulties and associated errors in the computation of stresses in thin shells, (2) possible ways to reduce the errors, and (3) trade-off between computational cost and accuracy. Included are derivation of the computational approach, program description, and several examples illustrating the program usage.

ZnO/ZnSxSe1-x core/shell nanowire arrays as photoelectrodes with efficient visible light absorption

NASA Astrophysics Data System (ADS)

Wang, Zhenxing; Zhan, Xueying; Wang, Yajun; Safdar, Muhammad; Niu, Mutong; Zhang, Jinping; Huang, Ying; He, Jun

2012-08-01

ZnO/ZnSxSe1-x core/shell nanowires have been synthesized on n+-type silicon substrate via a two-step chemical vapor deposition method. Transmission electron microscopy reveals that ZnSxSe1-x can be deposited on the entire surface of ZnO nanowire, forming coaxial heterojunction along ZnO nanowire with very smooth shell surface and high shell thickness uniformity. The photoelectrode after deposition of the ternary alloy shell significantly improves visible light absorption efficiency. Electrochemical impedance spectroscopy results explicitly indicate that the introduction of ZnSxSe1-x shell to ZnO nanowires effectively improves the photogenerated charge separation process. Our finding opens up an efficient means for achieving high efficient energy conversion devices.

Generic element processor (application to nonlinear analysis)

NASA Technical Reports Server (NTRS)

Stanley, Gary

1989-01-01

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

The field-space metric in spiral inflation and related models

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

Erlich, Joshua; Olsen, Jackson; Wang, Zhen

2016-09-22

Multi-field inflation models include a variety of scenarios for how inflation proceeds and ends. Models with the same potential but different kinetic terms are common in the literature. We compare spiral inflation and Dante’s inferno-type models, which differ only in their field-space metric. We justify a single-field effective description in these models and relate the single-field description to a mass-matrix formalism. We note the effects of the nontrivial field-space metric on inflationary observables, and consequently on the viability of these models. We also note a duality between spiral inflation and Dante’s inferno models with different potentials.

Construction of the descriptive system for the assessment of quality of life AQoL-6D utility instrument

PubMed Central

2012-01-01

Background Multi attribute utility (MAU) instruments are used to include the health related quality of life (HRQoL) in economic evaluations of health programs. Comparative studies suggest different MAU instruments measure related but different constructs. The objective of this paper is to describe the methods employed to achieve content validity in the descriptive system of the Assessment of Quality of Life (AQoL)-6D, MAU instrument. Methods The AQoL program introduced the use of psychometric methods in the construction of health related MAU instruments. To develop the AQoL-6D we selected 112 items from previous research, focus groups and expert judgment and administered them to 316 members of the public and 302 hospital patients. The search for content validity across a broad spectrum of health states required both formative and reflective modelling. We employed Exploratory Factor Analysis and Structural Equation Modelling (SEM) to meet these dual requirements. Results and Discussion The resulting instrument employs 20 items in a multi-tier descriptive system. Latent dimension variables achieve sensitive descriptions of 6 dimensions which, in turn, combine to form a single latent QoL variable. Diagnostic statistics from the SEM analysis are exceptionally good and confirm the hypothesised structure of the model. Conclusions The AQoL-6D descriptive system has good psychometric properties. They imply that the instrument has achieved construct validity and provides a sensitive description of HRQoL. This means that it may be used with confidence for measuring health related quality of life and that it is a suitable basis for modelling utilities for inclusion in the economic evaluation of health programs. PMID:22507254

Construction of the descriptive system for the Assessment of Quality of Life AQoL-6D utility instrument.

PubMed

Richardson, Jeffrey R J; Peacock, Stuart J; Hawthorne, Graeme; Iezzi, Angelo; Elsworth, Gerald; Day, Neil A

2012-04-17

Multi attribute utility (MAU) instruments are used to include the health related quality of life (HRQoL) in economic evaluations of health programs. Comparative studies suggest different MAU instruments measure related but different constructs. The objective of this paper is to describe the methods employed to achieve content validity in the descriptive system of the Assessment of Quality of Life (AQoL)-6D, MAU instrument. The AQoL program introduced the use of psychometric methods in the construction of health related MAU instruments. To develop the AQoL-6D we selected 112 items from previous research, focus groups and expert judgment and administered them to 316 members of the public and 302 hospital patients. The search for content validity across a broad spectrum of health states required both formative and reflective modelling. We employed Exploratory Factor Analysis and Structural Equation Modelling (SEM) to meet these dual requirements. The resulting instrument employs 20 items in a multi-tier descriptive system. Latent dimension variables achieve sensitive descriptions of 6 dimensions which, in turn, combine to form a single latent QoL variable. Diagnostic statistics from the SEM analysis are exceptionally good and confirm the hypothesised structure of the model. The AQoL-6D descriptive system has good psychometric properties. They imply that the instrument has achieved construct validity and provides a sensitive description of HRQoL. This means that it may be used with confidence for measuring health related quality of life and that it is a suitable basis for modelling utilities for inclusion in the economic evaluation of health programs.

Low pressure bottom-up synthesis of metal@oxide and oxide nanoparticles: control of structure and functional properties

NASA Astrophysics Data System (ADS)

D'Addato, Sergio; Chiara Spadaro, Maria

2018-03-01

Experimental activity on core@shell, metal@oxide, and oxide nanoparticles (NPs) grown with physical synthesis, and more specifically by low pressure gas aggregation sources (LPGAS) is reviewed, through a selection of examples encompassing some potential applications in nanotechnology. After an introduction to the applications of NPs, a brief description of the main characteristics of the growth process of clusters and NPs in LPGAS is given. Thereafter, some relevant case studies are reported: • Formation of native oxide shells around the metal cores in core@shell NPs. • Experimental efforts to obtain magnetic stabilization in magnetic core@shell NPs by controlling their structure and morphology. • Recent advancements in NP source design and new techniques of co-deposition, with relevant results in the realization of NPs with a greater variety of functionalities. • Recent results on reducible oxide NPs, with potentialities in nanocatalysis, energy storage, and other applications. Although this list is far from being exhaustive, the aim of the authors is to provide the reader a descriptive glimpse into the physics behind the growth and studies of low pressure gas-phase synthesized NPs, with their ever-growing potentialities for the rational design of new functional materials.

Adaptive multi-step Full Waveform Inversion based on Waveform Mode Decomposition

NASA Astrophysics Data System (ADS)

Hu, Yong; Han, Liguo; Xu, Zhuo; Zhang, Fengjiao; Zeng, Jingwen

2017-04-01

Full Waveform Inversion (FWI) can be used to build high resolution velocity models, but there are still many challenges in seismic field data processing. The most difficult problem is about how to recover long-wavelength components of subsurface velocity models when seismic data is lacking of low frequency information and without long-offsets. To solve this problem, we propose to use Waveform Mode Decomposition (WMD) method to reconstruct low frequency information for FWI to obtain a smooth model, so that the initial model dependence of FWI can be reduced. In this paper, we use adjoint-state method to calculate the gradient for Waveform Mode Decomposition Full Waveform Inversion (WMDFWI). Through the illustrative numerical examples, we proved that the low frequency which is reconstructed by WMD method is very reliable. WMDFWI in combination with the adaptive multi-step inversion strategy can obtain more faithful and accurate final inversion results. Numerical examples show that even if the initial velocity model is far from the true model and lacking of low frequency information, we still can obtain good inversion results with WMD method. From numerical examples of anti-noise test, we see that the adaptive multi-step inversion strategy for WMDFWI has strong ability to resist Gaussian noise. WMD method is promising to be able to implement for the land seismic FWI, because it can reconstruct the low frequency information, lower the dominant frequency in the adjoint source, and has a strong ability to resist noise.

Development of SiO2@TiO2 core-shell nanospheres for catalytic applications

NASA Astrophysics Data System (ADS)

Kitsou, I.; Panagopoulos, P.; Maggos, Th.; Arkas, M.; Tsetsekou, A.

2018-05-01

Silica-titania core-shell nanospheres, CSNp, were prepared via a simple and environmentally friendly two step route. First, silica cores were prepared through the hydrolysis-condensation reaction of silicic acid in the presence of hyperbranched poly(ethylene)imine (HBPEI) followed by repeating washing, centrifugation and, finally, calcination steps. To create the core-shell structure, various amounts of titanium isopropoxide were added to the cores and after that a HBPEI-water solution was added to hydrolyze the titanium precursor. Washing with ethanol and heat treatment followed. The optimization of processing parameters led to well-developed core-shell structures bearing a homogeneous nanocrystalline anatase coating over each silica core. The photocatalytic activity for NO was examined in a continuous flux photocatalytic reactor under real environmental conditions. The results revealed a very potent photocatalyst as the degradation percentage reached 84.27% for the core-shell material compared to the 82% of pure titania with the photodecomposition rates measured at 0.62 and 0.55 μg·m-2·s-1, respectively. In addition, catalytic activities of the CSNp and pure titania were investigated by monitoring the reduction of 4-nitrophenol to 4-aminophenol by an excess of NaBH4. Both materials exhibited excellent catalytic activity (100%), making the core-shell material a promising alternative catalyst to pure titania for various applications.

A Framework for Measurement Feedback to Improve Decision-Making in Mental Health

PubMed Central

Chorpita, Bruce F.; Reay, William E.; Stelk, Wayne; Garland, Ann F.; Kutash, Krista; Mullican, Charlotte; Ringeisen, Heather

2009-01-01

The authors present a multi-level framework for conceptualizing and designing measurement systems to improve decision-making in the treatment and prevention of child and adolescent mental health problems as well as the promotion of well-being. Also included is a description of the recommended drivers of the development and refinement of these measurement systems and the importance of the architecture upon which these measurement systems are built. The authors conclude with a set of recommendations for the next steps for the field. PMID:20041342

Quest for consistent modelling of statistical decay of the compound nucleus

NASA Astrophysics Data System (ADS)

Banerjee, Tathagata; Nath, S.; Pal, Santanu

2018-01-01

A statistical model description of heavy ion induced fusion-fission reactions is presented where shell effects, collective enhancement of level density, tilting away effect of compound nuclear spin and dissipation are included. It is shown that the inclusion of all these effects provides a consistent picture of fission where fission hindrance is required to explain the experimental values of both pre-scission neutron multiplicities and evaporation residue cross-sections in contrast to some of the earlier works where a fission hindrance is required for pre-scission neutrons but a fission enhancement for evaporation residue cross-sections.

Multi-community command and control systems in law enforcement: An introductory planning guide

NASA Technical Reports Server (NTRS)

Sohn, R. L.; Garcia, E. A.; Kennedy, R. D.

1976-01-01

A set of planning guidelines for multi-community command and control systems in law enforcement is presented. Essential characteristics and applications of these systems are outlined. Requirements analysis, system concept design, implementation planning, and performance and cost modeling are described and demonstrated with numerous examples. Program management techniques and joint powers agreements for multicommunity programs are discussed in detail. A description of a typical multi-community computer-aided dispatch system is appended.

System for assessing Aviation's Global Emissions (SAGE), part 1 : model description and inventory results

DOT National Transportation Integrated Search

2007-07-01

In early 2001, the US Federal Aviation Administration embarked on a multi-year effort to develop a new computer model, the System for assessing Aviation's Global Emissions (SAGE). Currently at Version 1.5, the basic use of the model has centered on t...

Individualized Inservice Teacher Education (Project In-Step). Evaluation Report. Phase III.

ERIC Educational Resources Information Center

Thurber, John C.

This is a report on the third phase of Project IN-STEP, which was intended to develop a viable model for individualized, multi-media in-service teacher education programs. (Phase I and II are reported in ED 033 905, and ED 042 709). The rationale for Phase III was to see if the model could be successfully transferred to an area other than teaching…

Consolidation modelling for thermoplastic composites forming simulation

NASA Astrophysics Data System (ADS)

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

2016-10-01

Pre-impregnated thermoplastic composites are widely used in the aerospace industry for their excellent mechanical properties, Thermoforming thermoplastic prepregs is a fast manufacturing process, the automotive industry has shown increasing interest in this manufacturing processes, in which the reconsolidation is an essential stage. The model of intimate contact is investigated as the consolidation model, compression experiments have been launched to identify the material parameters, several numerical tests show the influents of the temperature and pressure applied during processing. Finally, a new solid-shell prismatic element has been presented for the simulation of consolidation step in the thermoplastic composites forming process.

The promoting effect of CeO2@Ce-O-P multi-core@shell structure on SO2 tolerance for selective catalytic reduction of NO with NH3 at low temperature

NASA Astrophysics Data System (ADS)

Yao, Weiyuan; Liu, Yue; Wu, Zhongbiao

2018-06-01

A series of CeO2@Ce-O-P "multi-core@shell" catalysts were synthesized in this paper for selective catalytic reduction (SCR) of NO with NH3. The experimental results had showed that CeO2@Ce-O-P-30:3 yielded best SO2 tolerance of an over 70% deNOx efficiency at 250 °C in the presence of 100 ppm SO2 for 20 h, which was much higher compared to pure Ce-O-P and CeO2 samples. Further characterization results indicated that Ce-O-P coating layer could somewhat inhibit sulfur depositing on the catalysts during SCR reaction in the presence of SO2, thereby protecting the active sites from SO2 poisoning. Especially, O2-TPD results illustrated that a great amount of active oxygen species were retained on used CeO2@Ce-O-P catalyst after a long term reaction. The synergetic effect of "multi-core@shell" structure could be attributed to such enhanced performances. The "core" CeO2 devoted abundant active oxygen sites to fulfill the SCR reaction. And the "shell" Ce-O-P could not only provide acid sites, but also protect the active oxygen species by avoiding the over-adsorption of SO2 on the catalyst. This work could provide a new way to increase the sulfur resistance for low temperature SCR catalysts.

The Effect of Diet Mixing on a Nonselective Herbivore

PubMed Central

2016-01-01

The balanced-diet hypothesis states that a diverse prey community is beneficial to consumers due to resource complementarity among the prey species. Nonselective consumer species cannot differentiate between prey items and are therefore not able to actively regulate their diet intake. We thus wanted to test whether the balanced-diet hypothesis is applicable to nonselective consumers. We conducted a laboratory experiment in which a nonselective model grazer, the freshwater gastropod Lymnaea stagnalis, was fed benthic green algae as single species or as a multi-species mixture and quantified the snails’ somatic growth rates and shell lengths over a seven-week period. Gastropods fed the mixed diet were found to exhibit a higher somatic growth rate than the average of the snails fed single prey species. However, growth on the multi-species mixture did not exceed the growth rate obtained on the best single prey species. Similar results were obtained regarding the animals’ shell height increase over time. The mixed diet did not provide the highest growth rate, which confirms our hypothesis. We thus suggest that the balanced-diet hypothesis is less relevant for non-selective generalist consumers, which needs to be considered in estimates of secondary production. PMID:27391787

Direct Observation of the Growth of Au-Pd Core-Shell Nanoparticles Using in situ Low-Dose Liquid Cell STEM imaging

DOE PAGES

Bhattarai, Nabraj; Prozorov, Tanya

2016-07-25

Bimetallic core-shell nanoparticles are widely used as catalysts in several industrial reactions, with core-shell structures permitting facile surface modification and allowing increased stability and durability, and cost-effectiveness of the catalysts. We report, for the first time, on observing the early stages of the formation of Au-Pd core-shell bimetallic nanoparticles via the seed-mediated growth in the presence of reducing agent, while employing the low-dose scanning transmission electron microscopy imaging with the fluid cell in situ. Use of the continuous flow in situ fluid cell platform allows for delivery of reagent solutions and generation of near-native reaction environment in the reaction chamber,more » and permits direct visualization of the early stages of formation of Au-Pd core-shell structures at low dose rate (0.1 e -/(Å 2s)) in the presence of ascorbic acid. No core-shell structures were detected in the absence of reducing agent at the electron dose of 32.6 e -/Å 2. While the core-shell structures formed in situ under the low-dose imaging closely resemble those obtained in solution synthesis, the reaction kinetics in the fluid cell is affected by the radiolysis of liquid reagents induced by electron beam, altering the rate-determining reaction steps. The enhanced reduction of Pd ions leads to initial rapid growth of the nascent Pd shell along the <111> direction at the Au interface, followed by a slower rearrangement of the outer Pd layer. The latter becomes the rate-determining step in the in situ reaction and appears to follow the oriented attachment-like movement to yield a remodeled, compact and stable Au-Pd core-shell nanostructure. Our findings highlight the differences between the two reaction pathways and aid in understanding the mechanism of formation of the core-shell nanostructure in situ.« less

Design and Synthesis of Spherical Multicomponent Aggregates Composed of Core-Shell, Yolk-Shell, and Hollow Nanospheres and Their Lithium-Ion Storage Performances.

PubMed

Park, Gi Dae; Kang, Yun Chan

2018-03-01

Micrometer-sized spherical aggregates of Sn and Co components containing core-shell, yolk-shell, hollow nanospheres are synthesized by applying nanoscale Kirkendall diffusion in the large-scale spray drying process. The Sn 2 Co 3 -Co 3 SnC 0.7 -C composite microspheres uniformly dispersed with Sn 2 Co 3 -Co 3 SnC 0.7 mixed nanocrystals are formed by the first-step reduction of spray-dried precursor powders at 900 °C. The second-step oxidation process transforms the Sn 2 Co 3 -Co 3 SnC 0.7 -C composite into the porous microsphere composed of Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 core-shell, Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 yolk-shell, and CoSnO 3 -Co 3 O 4 hollow nanospheres at 300, 400, and 500 °C, respectively. The discharge capacity of the microspheres with Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 core-shell, Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 yolk-shell, and CoSnO 3 -Co 3 O 4 hollow nanospheres for the 200 th cycle at a current density of 1 A g -1 is 1265, 987, and 569 mA h g -1 , respectively. The ultrafine primary nanoparticles with a core-shell structure improve the structural stability of the porous-structured microspheres during repeated lithium insertion and desertion processes. The porous Sn-Sn 2 Co 3 @CoSnO 3 -Co 3 O 4 microspheres with core-shell primary nanoparticles show excellent cycling and rate performances as anode materials for lithium-ion batteries. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

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

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

2010-11-04

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

Simplified model of mean double step (MDS) in human body movement

NASA Astrophysics Data System (ADS)

Dusza, Jacek J.; Wawrzyniak, Zbigniew M.; Mugarra González, C. Fernando

In this paper we present a simplified and useful model of the human body movement based on the full gait cycle description, called the Mean Double Step (MDS). It enables the parameterization and simplification of the human movement. Furthermore it allows a description of the gait cycle by providing standardized estimators to transform the gait cycle into a periodical movement process. Moreover the method of simplifying the MDS model and its compression are demonstrated. The simplification is achieved by reducing the number of bars of the spectrum and I or by reducing the number of samples describing the MDS both in terms of reducing their computational burden and their resources for the data storage. Our MDS model, which is applicable to the gait cycle method for examining patients, is non-invasive and provides the additional advantage of featuring a functional characterization of the relative or absolute movement of any part of the body.

Bonding in gold-rare earth [Au2M] (M = Eu, Yb, Lu) ions. A strong covalent gold-lanthanide bond

NASA Astrophysics Data System (ADS)

Páez-Hernández, Dayán; Muñoz-Castro, Alvaro; Arratia-Perez, Ramiro

2017-09-01

The electronic structure and bonding nature of a series of intermetallic gold-lanthanide [Au2Ln] molecules, where Ln = Eu, Yb, Lu is predicted via the DFT and CASSCF/CASPT2 calculations. The 2c-2e bond model shows a good description of the intermetallic bonding which have a large covalent component with important contribution from bonding interaction between the 6s-Au and the 6s-Ln shell of orbitals.

Dipole and spin-dipole strength distributions in ^{124,126,128,130} Te isotopes

NASA Astrophysics Data System (ADS)

Cakmak, Necla; Cakmak, Sadiye; Selam, Cevad; Unlu, Serdar

2018-02-01

We try to present the structure of 1- excitations in open-shell ^{124,126,128,130} Te isotopes. Electric dipole states are investigated within a translational and Galilean invariant model. Also, a theoretical description of charge-conserving spin-dipole {1}- excitations is presented for the same isotopes. The energy spectra for both kinds of excitations are analysed in detail. Furthermore, a comparison of the calculated cross-sections and energies with the available experimental data is given.

Ion charge state distribution effects on elastic X-ray Thomson scattering

NASA Astrophysics Data System (ADS)

Iglesias, Carlos A.

2018-03-01

Analytic models commonly applied in elastic X-ray Thomson scattering cross-section calculations are used to generate results from a discrete ion charge distribution and an average charge description. Comparisons show that interchanging the order of the averaging procedure can appreciably alter the cross-section, especially for plasmas with partially filled K-shell bound electrons. In addition, two common approximations to describe the free electron density around an ion are shown to yield significantly different elastic X-ray Thomson scattering cross-sections.

Middle Holocene daily light cycle reconstructed from the strontium/calcium ratios of a fossil giant clam shell

PubMed Central

Hori, Masako; Sano, Yuji; Ishida, Akizumi; Takahata, Naoto; Shirai, Kotaro; Watanabe, Tsuyoshi

2015-01-01

Insolation is an important component of meteorological data because solar energy is the primary and direct driver of weather and climate. Previous analyses of cultivated giant clam shells revealed diurnal variation in the Sr/Ca ratio, which might reflect the influence of the daily light cycle. We applied proxy method to sample from prehistoric era, a fossil giant clam shell collected at Ishigaki Island in southern Japan. The specimen was alive during the middle Holocene and thus exposed to the warmest climate after the last glacial period. This bivalve species is known to form a growth line each day, as confirmed by the analysis of the Sr enrichment bands using EPMA and facilitated age-model. We analyzed the Sr/Ca, Mg/Ca and Ba/Ca ratios along the growth axis, measuring a 2-μm spot size at 2-μm interval using NanoSIMS. The Sr/Ca ratios in the winter layers are characterized by a striking diurnal cycle consisting of narrow growth lines with high Sr/Ca ratios and broad growth bands with low Sr/Ca ratios. These variations, which are consistent with those of the cultivated clam shell, indicate the potential for the reconstruction of the variation in solar insolation during the middle Holocene at a multi-hourly resolution. PMID:25736488

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

Sabau, Adrian S.; Nejad, Ali H.; Klett, James W.

Here in this article, a novel geometry is proposed for evaporators that are used in Supercritical Organic Rankine Cycles. The proposed geometry consists of successive plenums at several length-scale levels, creating a multi-scale heat exchanger (HX). The channels at the lowest length-scale levels were considered to have their length determined by the thermal entrance-length. Numerical simulations based on turbulent flow correlations for supercritical R134a and water were used to evaluate the performance of heat exchangers. Using the data on pumping power and area of heat exchange, the total present cost was evaluated using a cost model for shell-and-tube heat exchangers.more » With respect to the shell-and-tube baseline case, the cost per heat load and total costs of new HXs is lowered by approximately 20–26% and 15–30%, respectively. This reduction in present costs of the new HXs were found to be attributed to higher operational costs for the shell-and-tube HXs, as evidenced by the higher pumping power, as well their capital investment costs. The cost savings in the new HX designs compared to those of the shell-and-tube HXs, at similar heat load performance, indicate that the new HX architectures proposed in this paper are valid alternatives to traditional HX designs.« less

Impact of Neutrino Opacities on Core-collapse Supernova Simulations

NASA Astrophysics Data System (ADS)

Kotake, Kei; Takiwaki, Tomoya; Fischer, Tobias; Nakamura, Ko; Martínez-Pinedo, Gabriel

2018-02-01

The accurate description of neutrino opacities is central to both the core-collapse supernova (CCSN) phenomenon and the validity of the explosion mechanism itself. In this work, we study in a systematic fashion the role of a variety of well-selected neutrino opacities in CCSN simulations where the multi-energy, three-flavor neutrino transport is solved using the isotropic diffusion source approximation (IDSA) scheme. To verify our code, we first present results from one-dimensional (1D) simulations following the core collapse, bounce, and ∼250 ms postbounce of a 15 {M}ȯ star using a standard set of neutrino opacities by Bruenn. A detailed comparison with published results supports the reliability of our three-flavor IDSA scheme using the standard opacity set. We then investigate in 1D simulations how individual opacity updates lead to differences with the baseline run with the standard opacity set. Through detailed comparisons with previous work, we check the validity of our implementation of each update in a step-by-step manner. Individual neutrino opacities with the largest impact on the overall evolution in 1D simulations are selected for systematic comparisons in our two-dimensional (2D) simulations. Special attention is given to the criterion of explodability in the 2D models. We discuss the implications of these results as well as its limitations and the requirements for future, more elaborate CCSN modeling.

Evolution of atomic structure during nanoparticle formation

DOE PAGES

Tyrsted, Christoffer; Lock, Nina; Jensen, Kirsten M. Ø.; ...

2014-04-14

Understanding the mechanism of nanoparticle formation during synthesis is a key prerequisite for the rational design and engineering of desirable materials properties, yet remains elusive due to the difficulty of studying structures at the nanoscale under real conditions. Here, the first comprehensive structural description of the formation of a nanoparticle, yttria-stabilized zirconia (YSZ), all the way from its ionic constituents in solution to the final crystal, is presented. The transformation is a complicated multi-step sequence of atomic reorganizations as the material follows the reaction pathway towards the equilibrium product. Prior to nanoparticle nucleation, reagents reorganize into polymeric species whose structuremore » is incompatible with the final product. Instead of direct nucleation of clusters into the final product lattice, a highly disordered intermediate precipitate forms with a local bonding environment similar to the product yet lacking the correct topology. During maturation, bond reforming occurs by nucleation and growth of distinct domains within the amorphous intermediary. The present study moves beyond kinetic modeling by providing detailed real-time structural insight, and it is demonstrated that YSZ nanoparticle formation and growth is a more complex chemical process than accounted for in conventional models. This level of mechanistic understanding of the nanoparticle formation is the first step towards more rational control over nanoparticle synthesis through control of both solution precursors and reaction intermediaries.« less

Systematics of intermediate-energy single-nucleon removal cross sections

NASA Astrophysics Data System (ADS)

Tostevin, J. A.; Gade, A.

2014-11-01

There is now a large and increasing body of experimental data and theoretical analyses for reactions that remove a single nucleon from an intermediate-energy beam of neutron- or proton-rich nuclei. In each such measurement, one obtains the inclusive cross section for the population of all bound final states of the mass A -1 reaction residue. These data, from different regions of the nuclear chart, and that involve weakly and strongly bound nucleons, are compared with theoretical expectations. These calculations include an approximate treatment of the reaction dynamics and shell-model descriptions of the projectile initial state, the bound final states of the residues, and the single-particle strengths computed from their overlap functions. The results are discussed in the light of recent data, more exclusive tests of the eikonal dynamical description, and calculations that take input from more microscopic nuclear structure models.

Modeling Stepped Leaders Using a Time Dependent Multi-dipole Model and High-speed Video Data

NASA Astrophysics Data System (ADS)

Karunarathne, S.; Marshall, T.; Stolzenburg, M.; Warner, T. A.; Orville, R. E.

2012-12-01

In summer of 2011, we collected lightning data with 10 stations of electric field change meters (bandwidth of 0.16 Hz - 2.6 MHz) on and around NASA/Kennedy Space Center (KSC) covering nearly 70 km × 100 km area. We also had a high-speed video (HSV) camera recording 50,000 images per second collocated with one of the electric field change meters. In this presentation we describe our use of these data to model the electric field change caused by stepped leaders. Stepped leaders of a cloud to ground lightning flash typically create the initial path for the first return stroke (RS). Most of the time, stepped leaders have multiple complex branches, and one of these branches will create the ground connection for the RS to start. HSV data acquired with a short focal length lens at ranges of 5-25 km from the flash are useful for obtaining the 2-D location of these multiple branches developing at the same time. Using HSV data along with data from the KSC Lightning Detection and Ranging (LDAR2) system and the Cloud to Ground Lightning Surveillance System (CGLSS), the 3D path of a leader may be estimated. Once the path of a stepped leader is obtained, the time dependent multi-dipole model [ Lu, Winn,and Sonnenfeld, JGR 2011] can be used to match the electric field change at various sensor locations. Based on this model, we will present the time-dependent charge distribution along a leader channel and the total charge transfer during the stepped leader phase.

Plasma-Assisted Growth of Silicon Nanowires by Sn Catalyst: Step-by-Step Observation

NASA Astrophysics Data System (ADS)

Tang, Jian; Maurice, Jean-Luc; Chen, Wanghua; Misra, Soumyadeep; Foldyna, Martin; Johnson, Erik V.; Roca i Cabarrocas, Pere

2016-10-01

A comprehensive study of the silicon nanowire growth process has been carried out. Silicon nanowires were grown by plasma-assisted-vapor-solid method using tin as a catalyst. We have focused on the evolution of the silicon nanowire density, morphology, and crystallinity. For the first time, the initial growth stage, which determines the nanowire (NW) density and growth direction, has been observed step by step. We provide direct evidence of the merging of Sn catalyst droplets and the formation of Si nanowires during the first 10 s of growth. We found that the density of Sn droplets decreases from 9000 Sn droplets/μm2 to 2000 droplets/μm2 after just 10 s of growth. Moreover, the long and straight nanowire density decreases from 170/μm2 after 2 min of growth to less than 10/μm2 after 90 min. This strong reduction in nanowire density is accompanied by an evolution of their morphology from cylindrical to conical, then to bend conical, and finally, to a bend inverted conical shape. Moreover, the changes in the crystalline structure of nanowires are from (i) monocrystalline to (ii) monocrystalline core/defective crystalline shell and then to (iii) monocrystalline core/defective crystalline shell/amorphous shell. The evolutions of NW properties have been explained in detail.

Formation, characterization, and dynamics of onion-like carbon structures for electrical energy storage from nanodiamonds using reactive force fields

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

Ganesh, P.; Kent, P. R. C.; Mochalin, V.

We simulate the experimentally observed graphitization of nanodiamonds into multi-shell onion-like carbonnanostructures, also called carbon onions, at different temperatures, using reactive force fields. The simulations include long-range Coulomb and van der Waals interactions. Our results suggest that long-range interactions play a crucial role in the phase-stability and the graphitization process. Graphitization is both enthalpically and entropically driven and can hence be controlled with temperature. The outer layers of the nanodiamond have a lower kinetic barrier toward graphitization irrespective of the size of the nanodiamond and graphitize within a few-hundred picoseconds, with a large volume increase. The inner core of themore » nanodiamonds displays a large size-dependent kinetic barrier, and graphitizes much more slowly with abrupt jumps in the internal energy. It eventually graphitizes by releasing pressure and expands once the outer shells have graphitized. The degree of transformation at a particular temperature is thereby determined by a delicate balance between the thermal energy, long-range interactions, and the entropic/enthalpic free energy gained by graphitization. Upon full graphitization, a multi-shell carbonnanostructure appears, with a shell-shell spacing of about ~3.4 Å for all sizes. The shells are highly defective with predominantly five- and seven-membered rings to curve space. Larger nanodiamonds with a diameter of 4 nm can graphitize into spiral structures with a large (~29-atom carbon ring) pore opening on the outermost shell. Such a large one-way channel is most attractive for a controlled insertion of molecules/ions such as Li ions, water, or ionic liquids, for increased electrochemical capacitor or battery electrode applications.« less

Formation, characterization and dynamics of onion like carbon structures from nanodiamonds using reactive force-fields for electrical energy storage

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

Kent, Paul R

We simulate the experimentally observed graphitization of nanodiamonds into multi-shell onion-like carbon nanostructures, also called carbon onions, at different temperatures, using reactive force fields. The simulations include long-range Coulomb and van der Waals interactions. Our results suggest that long-range interactions play a crucial role in the phase-stability and the graphitization process. Graphitization is both enthalpically and entropically driven and can hence be controlled with temperature. The outer layers of the nanodiamond have a lower kinetic barrier toward graphitization irrespective of the size of the nanodiamond and graphitize within a few-hundred picoseconds, with a large volume increase. The inner core ofmore » the nanodiamonds displays a large size-dependent kinetic barrier, and graphitizes much more slowly with abrupt jumps in the internal energy. It eventually graphitizes by releasing pressure and expands once the outer shells have graphitized. The degree of transformation at a particular temperature is thereby determined by a delicate balance between the thermal energy, long-range interactions, and the entropic/enthalpic free energy gained by graphitization. Upon full graphitization, a multi-shell carbon nanostructure appears, with a shell-shell spacing of about {approx}3.4 {angstrom} for all sizes. The shells are highly defective with predominantly five- and seven-membered rings to curve space. Larger nanodiamonds with a diameter of 4 nm can graphitize into spiral structures with a large ({approx}29-atom carbon ring) pore opening on the outermost shell. Such a large one-way channel is most attractive for a controlled insertion of molecules/ions such as Li ions, water, or ionic liquids, for increased electrochemical capacitor or battery electrode applications.« less

Single nucleotide polymorphisms and haplotypes associated with feed efficiency in beef cattle

PubMed Central

2013-01-01

Background General, breed- and diet-dependent associations between feed efficiency in beef cattle and single nucleotide polymorphisms (SNPs) or haplotypes were identified on a population of 1321 steers using a 50 K SNP panel. Genomic associations with traditional two-step indicators of feed efficiency – residual feed intake (RFI), residual average daily gain (RADG), and residual intake gain (RIG) – were compared to associations with two complementary one-step indicators of feed efficiency: efficiency of intake (EI) and efficiency of gain (EG). Associations uncovered in a training data set were evaluated on independent validation data set. A multi-SNP model was developed to predict feed efficiency. Functional analysis of genes harboring SNPs significantly associated with feed efficiency and network visualization aided in the interpretation of the results. Results For the five feed efficiency indicators, the numbers of general, breed-dependent, and diet-dependent associations with SNPs (P-value < 0.0001) were 31, 40, and 25, and with haplotypes were six, ten, and nine, respectively. Of these, 20 SNP and six haplotype associations overlapped between RFI and EI, and five SNP and one haplotype associations overlapped between RADG and EG. This result confirms the complementary value of the one and two-step indicators. The multi-SNP models included 89 SNPs and offered a precise prediction of the five feed efficiency indicators. The associations of 17 SNPs and 7 haplotypes with feed efficiency were confirmed on the validation data set. Nine clusters of Gene Ontology and KEGG pathway categories (mean P-value < 0.001) including, 9nucleotide binding; ion transport, phosphorous metabolic process, and the MAPK signaling pathway were overrepresented among the genes harboring the SNPs associated with feed efficiency. Conclusions The general SNP associations suggest that a single panel of genomic variants can be used regardless of breed and diet. The breed- and diet-dependent associations between SNPs and feed efficiency suggest that further refinement of variant panels require the consideration of the breed and management practices. The unique genomic variants associated with the one- and two-step indicators suggest that both types of indicators offer complementary description of feed efficiency that can be exploited for genome-enabled selection purposes. PMID:24066663

GPU accelerated population annealing algorithm

NASA Astrophysics Data System (ADS)

Barash, Lev Yu.; Weigel, Martin; Borovský, Michal; Janke, Wolfhard; Shchur, Lev N.

2017-11-01

Population annealing is a promising recent approach for Monte Carlo simulations in statistical physics, in particular for the simulation of systems with complex free-energy landscapes. It is a hybrid method, combining importance sampling through Markov chains with elements of sequential Monte Carlo in the form of population control. While it appears to provide algorithmic capabilities for the simulation of such systems that are roughly comparable to those of more established approaches such as parallel tempering, it is intrinsically much more suitable for massively parallel computing. Here, we tap into this structural advantage and present a highly optimized implementation of the population annealing algorithm on GPUs that promises speed-ups of several orders of magnitude as compared to a serial implementation on CPUs. While the sample code is for simulations of the 2D ferromagnetic Ising model, it should be easily adapted for simulations of other spin models, including disordered systems. Our code includes implementations of some advanced algorithmic features that have only recently been suggested, namely the automatic adaptation of temperature steps and a multi-histogram analysis of the data at different temperatures. Program Files doi:http://dx.doi.org/10.17632/sgzt4b7b3m.1 Licensing provisions: Creative Commons Attribution license (CC BY 4.0) Programming language: C, CUDA External routines/libraries: NVIDIA CUDA Toolkit 6.5 or newer Nature of problem: The program calculates the internal energy, specific heat, several magnetization moments, entropy and free energy of the 2D Ising model on square lattices of edge length L with periodic boundary conditions as a function of inverse temperature β. Solution method: The code uses population annealing, a hybrid method combining Markov chain updates with population control. The code is implemented for NVIDIA GPUs using the CUDA language and employs advanced techniques such as multi-spin coding, adaptive temperature steps and multi-histogram reweighting. Additional comments: Code repository at https://github.com/LevBarash/PAising. The system size and size of the population of replicas are limited depending on the memory of the GPU device used. For the default parameter values used in the sample programs, L = 64, θ = 100, β0 = 0, βf = 1, Δβ = 0 . 005, R = 20 000, a typical run time on an NVIDIA Tesla K80 GPU is 151 seconds for the single spin coded (SSC) and 17 seconds for the multi-spin coded (MSC) program (see Section 2 for a description of these parameters).

Off-shell renormalization in Higgs effective field theories

NASA Astrophysics Data System (ADS)

Binosi, Daniele; Quadri, Andrea

2018-04-01

The off-shell one-loop renormalization of a Higgs effective field theory possessing a scalar potential ˜ {({Φ}^{\\dagger}Φ -υ^2/2)}^N with N arbitrary is presented. This is achieved by renormalizing the theory once reformulated in terms of two auxiliary fields X 1,2, which, due to the invariance under an extended Becchi-Rouet-Stora-Tyutin symmetry, are tightly constrained by functional identities. The latter allow in turn the explicit derivation of the mapping onto the original theory, through which the (divergent) multi-Higgs amplitude are generated in a purely algebraic fashion. We show that, contrary to naive expectations based on the loss of power counting renormalizability, the Higgs field undergoes a linear Standard Model like redefinition, and evaluate the renormalization of the complete set of Higgs self-coupling in the N → ∞ case.

A fate model for nitrogen dynamics in the Scheldt basin

NASA Astrophysics Data System (ADS)

Haest, Pieter Jan; van der Kwast, Johannes; Broekx, Steven; Seuntjens, Piet

2010-05-01

The European Union (EU) adopted the Water Framework Directive (WFD) in 2000 ensuring that all aquatic ecosystems meet ‘good ecological status' by 2015. However, the large population density in combination with agricultural and industrial activities in some European river basins pose challenges for river basin managers in meeting this status. The EU financed AQUAREHAB project (FP7) specifically examines the ecological and economic impact of innovative rehabilitation technologies for multi-pressured degraded waters. For this purpose, a numerical spatio-temporal model is developed to evaluate innovative technologies versus conventional measures at the river basin scale. The numerical model describes the nitrogen dynamics in the Scheldt river basin. Nitrogen is examined since nitrate is of specific concern in Belgium, the country comprising the largest area of the Scheldt basin. The Scheldt basin encompasses 20000 km2 and houses over 10 million people. The governing factors describing nitrogen fluxes at this large scale differ from the field scale with a larger uncertainty on input data. As such, the environmental modeling language PCRaster was selected since it was found to provide a balance between process descriptions and necessary input data. The resulting GIS-based model simulates the nitrogen dynamics in the Scheldt basin with a yearly time step and a spatial resolution of 1 square kilometer. A smaller time step is being evaluated depending on the description of the hydrology. The model discerns 4 compartments in the Scheldt basin: the soil, shallow groundwater, deep groundwater and the river network. Runoff and water flow occurs along the steepest slope in all model compartments. Diffuse emissions and direct inputs are calculated from administrative and statistical data. These emissions are geographically defined or are distributed over the domain according to land use and connectivity to the sewer system. The reactive mass transport is described using literature data. Process-knowledge on the innovative rehabilitation technologies, i.e. wetlands and riparian zones, will be derived from lab and field scale experiments. Datasets provided at the EU level are used to calibrate the model when available. The fate model will be used to create a database driven Decision Support System (DSS) in which costs of measures and ecotoxicological effects are considered. The DSS can then be used to compare alternative combinations of rehabilitation technologies versus conventional measures in the Scheldt river basin taking into account the ecological status of the river basin.

Controllable fabrication and characterization of biocompatible core-shell particles and hollow capsules as drug carrier

NASA Astrophysics Data System (ADS)

Hao, Lingyun; Gong, Xinglong; Xuan, Shouhu; Zhang, Hong; Gong, Xiuqing; Jiang, Wanquan; Chen, Zuyao

2006-10-01

SiO 2@CdSe core-shell particles were fabricated by controllable deposition CdSe nanoparticles on silica colloidal spheres. Step-wise coating process was tracked by the TEM and XRD measurements. In addition, SiO 2@CdSe/polypyrrole(PPy) multi-composite particles were synthesized based on the as-prepared SiO 2@CdSe particles by cationic polymerization. The direct electrochemistry of myoglobin (Mb) could be performed by immobilizing Mb on the surface of SiO 2@CdSe particles. Immobilized with Mb, SiO 2@CdSe/PPy-Mb also displayed good bioelectrochemical activity. It confirmed the good biocompatible property of the materials with protein. CdSe hollow capsules were further obtained as the removal of the cores of SiO 2@CdSe spheres. Hollow and porous character of CdSe sub-meter size capsules made them becoming hopeful candidates as drug carriers. Doxorubicin, a typical an antineoplastic drug, was introduced into the capsules. A good sustained drug release behavior of the loading capsules was discovered via performing a release test in the PBS buffer (pH 7.4) solution at 310 k. Furthermore, SiO 2@CdSe/PPy could be converted to various smart hollow capsules via selectively removal of their relevant components.

Modelling the interaction between flooding events and economic growth

NASA Astrophysics Data System (ADS)

Grames, J.; Prskawetz, A.; Grass, D.; Blöschl, G.

2015-06-01

Socio-hydrology describes the interaction between the socio-economy and water. Recent models analyze the interplay of community risk-coping culture, flooding damage and economic growth (Di Baldassarre et al., 2013; Viglione et al., 2014). These models descriptively explain the feedbacks between socio-economic development and natural disasters like floods. Contrary to these descriptive models, our approach develops an optimization model, where the intertemporal decision of an economic agent interacts with the hydrological system. In order to build this first economic growth model describing the interaction between the consumption and investment decisions of an economic agent and the occurrence of flooding events, we transform an existing descriptive stochastic model into an optimal deterministic model. The intermediate step is to formulate and simulate a descriptive deterministic model. We develop a periodic water function to approximate the former discrete stochastic time series of rainfall events. Due to the non-autonomous exogenous periodic rainfall function the long-term path of consumption and investment will be periodic.

A facile single-step synthesis of ternary multicore magneto-plasmonic nanoparticles.

PubMed

Benelmekki, Maria; Bohra, Murtaza; Kim, Jeong-Hwan; Diaz, Rosa E; Vernieres, Jerome; Grammatikopoulos, Panagiotis; Sowwan, Mukhles

2014-04-07

We report a facile single-step synthesis of ternary hybrid nanoparticles (NPs) composed of multiple dumbbell-like iron-silver (FeAg) cores encapsulated by a silicon (Si) shell using a versatile co-sputter gas-condensation technique. In comparison to previously reported binary magneto-plasmonic NPs, the advantage conferred by a Si shell is to bind the multiple magneto-plasmonic (FeAg) cores together and prevent them from aggregation at the same time. Further, we demonstrate that the size of the NPs and number of cores in each NP can be modulated over a wide range by tuning the experimental parameters.

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

Multilayer Composite Pressure Vessels

NASA Technical Reports Server (NTRS)

DeLay, Tom

2005-01-01

A method has been devised to enable the fabrication of lightweight pressure vessels from multilayer composite materials. This method is related to, but not the same as, the method described in gMaking a Metal- Lined Composite-Overwrapped Pressure Vessel h (MFS-31814), NASA Tech Briefs, Vol. 29, No. 3 (March 2005), page 59. The method is flexible in that it poses no major impediment to changes in tank design and is applicable to a wide range of tank sizes. The figure depicts a finished tank fabricated by this method, showing layers added at various stages of the fabrication process. In the first step of the process, a mandrel that defines the size and shape of the interior of the tank is machined from a polyurethane foam or other suitable lightweight tooling material. The mandrel is outfitted with metallic end fittings on a shaft. Each end fitting includes an outer flange that has a small step to accommodate a thin layer of graphite/epoxy or other suitable composite material. The outer surface of the mandrel (but not the fittings) is covered with a suitable release material. The composite material is filament- wound so as to cover the entire surface of the mandrel from the step on one end fitting to the step on the other end fitting. The composite material is then cured in place. The entire workpiece is cut in half in a plane perpendicular to the axis of symmetry at its mid-length point, yielding two composite-material half shells, each containing half of the foam mandrel. The halves of the mandrel are removed from within the composite shells, then the shells are reassembled and bonded together with a belly band of cured composite material. The resulting composite shell becomes a mandrel for the subsequent steps of the fabrication process and remains inside the final tank. The outer surface of the composite shell is covered with a layer of material designed to be impermeable by the pressurized fluid to be contained in the tank. A second step on the outer flange of each end fitting accommodates this layer. Depending on the application, this layer could be, for example, a layer of rubber, a polymer film, or an electrodeposited layer of metal. If the fluid to be contained in the tank is a gas, then the best permeation barrier is electrodeposited metal (typically copper or nickel), which can be effective at a thickness of as little as 0.005 in (.0.13 mm). The electrodeposited metal becomes molecularly bonded to the second step on each metallic end fitting. The permeation-barrier layer is covered with many layers of filament-wound composite material, which could be the same as, or different from, the composite material of the inner shell. Finally, the filament-wound composite material is cured in an ov

Acid–base bifunctional shell cross-linked micelle nanoreactor for one-pot tandem reaction

DOE PAGES

Lee, Li -Chen; Lu, Jie; Weck, Marcus; ...

2015-12-29

In shell cross-linked micelles (SCMs) containing acid sites in the shell and base sites in the core are prepared from amphiphilic poly(2-oxazoline) triblock copolymers. These materials are utilized as two-chamber nanoreactors for a prototypical acid-base bifunctional tandem deacetalization-nitroaldol reaction. Furthermore, the acid and base sites are localized in different regions of the micelle, allowing the two steps in the reaction sequence to largely proceed in separate compartments, akin to the compartmentalization that occurs in biological systems.

Governance for public health and health equity: The Tröndelag model for public health work.

PubMed

Lillefjell, Monica; Magnus, Eva; Knudtsen, Margunn SkJei; Wist, Guri; Horghagen, Sissel; Espnes, Geir Arild; Maass, Ruca; Anthun, Kirsti Sarheim

2018-06-01

Multi-sectoral governance of population health is linked to the realization that health is the property of many societal systems. This study aims to contribute knowledge and methods that can strengthen the capacities of municipalities regarding how to work more systematically, knowledge-based and multi-sectoral in promoting health and health equity in the population. Process evaluation was conducted, applying a mixed-methods research design, combining qualitative and quantitative data collection methods. Processes strengthening systematic and multi-sectoral development, implementation and evaluation of research-based measures to promote health, quality of life, and health equity in, for and with municipalities were revealed. A step-by-step model, that emphasizes the promotion of knowledge-based, systematic, multi-sectoral public health work, as well as joint ownership of local resources, initiatives and policies has been developed. Implementation of systematic, knowledge-based and multi-sectoral governance of public health measures in municipalities demand shared understanding of the challenges, updated overview of the population health and impact factors, anchoring in plans, new skills and methods for selection and implementation of measures, as well as development of trust, ownership, shared ethics and goals among those involved.

Facile synthesis of Zn1-xCoxO/ZnO core/shell nanostructures and their application to dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Manthina, Venkata; Agrios, Alexander G.

2017-04-01

Heterostructures consisting of Co-doped ZnO nanorod cores encased in an undoped ZnO shell were successfully synthesized to serve as photoanodes for dye-sensitized solar cells (DSSCs) by a two-step chemical bath deposition (CBD) technique. This yields a highly favorable structure in which electrons injected from the dye into the ZnO then step down in energy into the Co-doped core, where the electron is transported to the collector while the ZnO shell acts as a barrier to recombination with the electrolyte. Incorporation of the core/shell structures into DSSCs resulted in large improvements in photocurrent and photovoltage in comparison to pure ZnO nanorod-based DSSCs. SEM and XRD characterization indicate incorporation of the Co2+ into the ZnO matrix, without separation of the Co into other phases, providing no energy barriers. In addition, the ability of these heterostructures to reduce recombination rates in redox couples with fast recombination rates was probed by comparing DSSC device performance in both iodide/triiodide-based and ferrocene/ferrocenium-based electrolytes.

Economic analysis of centralized vs. decentralized electronic data capture in multi-center clinical studies.

PubMed

Walden, Anita; Nahm, Meredith; Barnett, M Edwina; Conde, Jose G; Dent, Andrew; Fadiel, Ahmed; Perry, Theresa; Tolk, Chris; Tcheng, James E; Eisenstein, Eric L

2011-01-01

New data management models are emerging in multi-center clinical studies. We evaluated the incremental costs associated with decentralized vs. centralized models. We developed clinical research network economic models to evaluate three data management models: centralized, decentralized with local software, and decentralized with shared database. Descriptive information from three clinical research studies served as inputs for these models. The primary outcome was total data management costs. Secondary outcomes included: data management costs for sites, local data centers, and central coordinating centers. Both decentralized models were more costly than the centralized model for each clinical research study: the decentralized with local software model was the most expensive. Decreasing the number of local data centers and case book pages reduced cost differentials between models. Decentralized vs. centralized data management in multi-center clinical research studies is associated with increases in data management costs.

Economic Analysis of Centralized vs. Decentralized Electronic Data Capture in Multi-Center Clinical Studies

PubMed Central

Walden, Anita; Nahm, Meredith; Barnett, M. Edwina; Conde, Jose G.; Dent, Andrew; Fadiel, Ahmed; Perry, Theresa; Tolk, Chris; Tcheng, James E.; Eisenstein, Eric L.

2012-01-01

Background New data management models are emerging in multi-center clinical studies. We evaluated the incremental costs associated with decentralized vs. centralized models. Methods We developed clinical research network economic models to evaluate three data management models: centralized, decentralized with local software, and decentralized with shared database. Descriptive information from three clinical research studies served as inputs for these models. Main Outcome Measures The primary outcome was total data management costs. Secondary outcomes included: data management costs for sites, local data centers, and central coordinating centers. Results Both decentralized models were more costly than the centralized model for each clinical research study: the decentralized with local software model was the most expensive. Decreasing the number of local data centers and case book pages reduced cost differentials between models. Conclusion Decentralized vs. centralized data management in multi-center clinical research studies is associated with increases in data management costs. PMID:21335692

High-yield aqueous synthesis of multi-branched iron oxide core-gold shell nanoparticles: SERS substrate for immobilization and magnetic separation of bacteria

NASA Astrophysics Data System (ADS)

Tamer, Ugur; Onay, Aykut; Ciftci, Hakan; Bozkurt, Akif Göktuğ; Cetin, Demet; Suludere, Zekiye; Hakkı Boyacı, İsmail; Daniel, Philippe; Lagarde, Fabienne; Yaacoub, Nader; Greneche, Jean-Marc

2014-10-01

The high product yield of multi-branched core-shell Fe3- x O4@Au magnetic nanoparticles was synthesized used as magnetic separation platform and surface-enhanced Raman scattering (SERS) substrates. The multi-branched magnetic nanoparticles were prepared by a seed-mediated growth approach using magnetic gold nanospheres as the seeds and subsequent reduction of metal salt with ascorbic acid in the presence of a stabilizing agent chitosan biopolymer and silver ions. The anisotropic growth of nanoparticles was observed in the presence of chitosan polymer matrix resulting in multi-branched nanoparticles with a diameter over 100 nm, and silver ions also play a crucial role on the growth of multi-branched nanoparticles. We propose the mechanism of the formation of multi-branched nanoparticles while the properties of nanoparticles embedded in chitosan matrix are discussed. The surface morphology of nanoparticles was characterized with transmission electron microscopy, scanning electron microscopy, ultraviolet visible spectroscopy (UV-Vis), X-ray diffraction, and fourier transform infrared spectroscopy and 57Fe Mössbauer spectrometry. Additionally, the magnetic properties of the nanoparticles were also examined. We also demonstrated that the synthesized Fe3- x O4@Au multi-branched nanoparticle is capable of targeted separation of pathogens from matrix and sensing as SERS substrates.

In-situ synthetize multi-walled carbon nanotubes@MnO2 nanoflake core-shell structured materials for supercapacitors

NASA Astrophysics Data System (ADS)

Zheng, Huajun; Wang, Jiaoxia; Jia, Yi; Ma, Chun'an

2012-10-01

A new type of core-shell structured material consisting of multi-walled carbon nanotubes (MWCNTs) and manganese dioxide (MnO2) nanoflake is synthesized using an in-situ co-precipitation method. By scanning electron microscopy and transition electron microscope, it is confirmed that the core-shell nanostructure is formed by the uniform incorporation of birnessite-type MnO2 nanoflake growth round the surface of the activated-MWCNTs. That core-shell structured material electrode presents excellent electrochemical capacitance properties with the specific capacitance reaching 380 F g-1 at the current density of 5 A g-1 in 0.5 M Na2SO4 electrolyte. In addition, the electrode also exhibits good performance (the power density: 11.28 kW kg-1 at 5 A g-1) and long-term cycling stability (retaining 82.7% of its initial capacitance after 3500 cycles at 5 A g-1). It mainly attributes to MWCNTs not only providing considerable specific surface area for high mass loading of MnO2 nanoflakes to ensure effective utilization of MnO2 nanoflake, but also offering an electron pathway to improve electrical conductivity of the electrode materials. It is clearly indicated that such core-shell structured materials including MWCNTs and MnO2 nanoflake may find important applications for supercapacitors.

A Shear Deformable Shell Element for Laminated Composites

NASA Technical Reports Server (NTRS)

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

1984-01-01

A three-dimensional element based on the total Lagrangian description of the motion of a layered anisotropic composite medium is developed, validated, and used to analyze layered composite shells. The element contains the following features: geometric nonlinearity, dynamic (transient) behavior, and arbitrary lamination scheme and lamina properties. Numerical results of nonlinear bending, natural vibration, and transient response are presented to illustrate the capabilities of the element.

Look and Feel: Haptic Interaction for Biomedicine

DTIC Science & Technology

1995-10-01

algorithm that is evaluated within the topology of the model. During each time step, forces are summed for each mobile atom based on external forces...volumetric properties; (b) conserving computation power by rendering media local to the interaction point; and (c) evaluating the simulation within...alteration of the model topology. Simulation of the DSM state is accomplished by a multi-step algorithm that is evaluated within the topology of the

MARS15

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

Mokhov, Nikolai

MARS is a Monte Carlo code for inclusive and exclusive simulation of three-dimensional hadronic and electromagnetic cascades, muon, heavy-ion and low-energy neutron transport in accelerator, detector, spacecraft and shielding components in the energy range from a fraction of an electronvolt up to 100 TeV. Recent developments in the MARS15 physical models of hadron, heavy-ion and lepton interactions with nuclei and atoms include a new nuclear cross section library, a model for soft pion production, the cascade-exciton model, the quark gluon string models, deuteron-nucleus and neutrino-nucleus interaction models, detailed description of negative hadron and muon absorption and a unified treatment ofmore » muon, charged hadron and heavy-ion electromagnetic interactions with matter. New algorithms are implemented into the code and thoroughly benchmarked against experimental data. The code capabilities to simulate cascades and generate a variety of results in complex media have been also enhanced. Other changes in the current version concern the improved photo- and electro-production of hadrons and muons, improved algorithms for the 3-body decays, particle tracking in magnetic fields, synchrotron radiation by electrons and muons, significantly extended histograming capabilities and material description, and improved computational performance. In addition to direct energy deposition calculations, a new set of fluence-to-dose conversion factors for all particles including neutrino are built into the code. The code includes new modules for calculation of Displacement-per-Atom and nuclide inventory. The powerful ROOT geometry and visualization model implemented in MARS15 provides a large set of geometrical elements with a possibility of producing composite shapes and assemblies and their 3D visualization along with a possible import/export of geometry descriptions created by other codes (via the GDML format) and CAD systems (via the STEP format). The built-in MARS-MAD Beamline Builder (MMBLB) was redesigned for use with the ROOT geometry package that allows a very efficient and highly-accurate description, modeling and visualization of beam loss induced effects in arbitrary beamlines and accelerator lattices. The MARS15 code includes links to the MCNP-family codes for neutron and photon production and transport below 20 MeV, to the ANSYS code for thermal and stress analyses and to the STRUCT code for multi-turn particle tracking in large synchrotrons and collider rings.« less

Climate change and forest trees in the Pacific Northwest: guide to vulnerability assessment methodology

Treesearch

W. Devine; C. Aubry; J. Miller; K. Potter; A. Bower

2012-01-01

This guide provides a step-by-step description of the methodology used to apply the Forest Tree Genetic Risk Assessment System (ForGRAS; Potter and Crane 2010) to the tree species of the Pacific Northwest in a recent climate change vulnerability assessment (Devine et al. 2012). We describe our modified version of the ForGRAS model, and we review the model’s basic...

Experimental and theoretical assessment of the multi-domain flow behaviour in a waste body during leachate infiltration

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

Tinet, A-J., E-mail: tinet@ujf-grenoble.fr; Oxarango, L.; Centre for Research in Environmental, Coastal and Hydrological Engineering, School of Civil Engineering, Surveying and Construction, University of KwaZulu-Natal, Howard College Campus, Durban 4041

2011-08-15

The optimisation of landfill operation is a key challenge for the upcoming years. A promising solution to improve municipal solid waste (MSW) management is the bioreactor technology. A meso-scale (around 1 m{sup 3}) experimental set-up was performed to study the effect of moisture control in low density conditions with different leachate injection operations and bioreactor monitoring including the use of a neutron probe. The moisture content distribution evolution demonstrates a multi-domain flow behaviour. A classic van Genuchten-Mualem description of the connected porosity proved insufficient to correctly describe the observed phenomena. A bimodal description of the connected porosity is proposed asmore » solution and a connected/non-connected porosities numerical model was applied to the results. The model explains the experimental results reasonably well.« less

Stellar evolution with turbulent diffusion. I. A new formalism of mixing.

NASA Astrophysics Data System (ADS)

Deng, L.; Bressan, A.; Chiosi, C.

1996-09-01

In this paper we present a new formulation of diffusive mixing in stellar interiors aimed at casting light on the kind of mixing that should take place in the so-called overshoot regions surrounding fully convective zones. Key points of the analysis are the inclusion the concept of scale length most effective for mixing, by means of which the diffusion coefficient is formulated, and the inclusion of intermittence and stirring, two properties of turbulence known from laboratory fluid dynamics. The formalism is applied to follow the evolution of a 20Msun_ star with composition Z=0.008 and Y=0.25. Depending on the value of the diffusion coefficient holding in the overshoot region, the evolutionary behaviour of the test stars goes from the case of virtually no mixing (semiconvective like structures) to that of full mixing over there (standard overshoot models). Indeed, the efficiency of mixing in this region drives the extension of the intermediate fully convective shell developing at the onset of the the shell H-burning, and in turn the path in the HR Diagram (HRD). Models with low efficiency of mixing burn helium in the core at high effective temperatures, models with intermediate efficiency perform extended loops in the HRD, finally models with high efficiency spend the whole core He-burning phase at low effective temperatures. In order to cast light on this important point of stellar structure, we test whether or not in the regions of the H-burning shell a convective layer can develop. More precisely, we examine whether the Schwarzschild or the Ledoux criterion ought to be adopted in this region. Furthermore, we test the response of stellar models to the kind of mixing supposed to occur in the H-burning shell regions. Finally, comparing the time scale of thermal dissipation to the evolutionary time scale, we get the conclusion that no mixing in this region should occur. The models with intermediate efficiency of mixing and no mixing at all in the shell H-burning regions are of particular interest as they possess at the same time evolutionary characteristics that are separately typical of models calculated with different schemes of mixing. In other words, the new models share the same properties of models with standard overshoot, namely a wider main sequence band, higher luminosity, and longer lifetimes than classical models, but they also possess extended loops that are the main signature of the classical (semiconvective) description of convection at the border of the core.

Introduction to Multilevel Item Response Theory Analysis: Descriptive and Explanatory Models

ERIC Educational Resources Information Center

Sulis, Isabella; Toland, Michael D.

2017-01-01

Item response theory (IRT) models are the main psychometric approach for the development, evaluation, and refinement of multi-item instruments and scaling of latent traits, whereas multilevel models are the primary statistical method when considering the dependence between person responses when primary units (e.g., students) are nested within…

Reconstruction and analysis of hybrid composite shells using meshless methods

NASA Astrophysics Data System (ADS)

Bernardo, G. M. S.; Loja, M. A. R.

2017-06-01

The importance of focusing on the research of viable models to predict the behaviour of structures which may possess in some cases complex geometries is an issue that is growing in different scientific areas, ranging from the civil and mechanical engineering to the architecture or biomedical devices fields. In these cases, the research effort to find an efficient approach to fit laser scanning point clouds, to the desired surface, has been increasing, leading to the possibility of modelling as-built/as-is structures and components' features. However, combining the task of surface reconstruction and the implementation of a structural analysis model is not a trivial task. Although there are works focusing those different phases in separate, there is still an effective need to find approaches able to interconnect them in an efficient way. Therefore, achieving a representative geometric model able to be subsequently submitted to a structural analysis in a similar based platform is a fundamental step to establish an effective expeditious processing workflow. With the present work, one presents an integrated methodology based on the use of meshless approaches, to reconstruct shells described by points' clouds, and to subsequently predict their static behaviour. These methods are highly appropriate on dealing with unstructured points clouds, as they do not need to have any specific spatial or geometric requirement when implemented, depending only on the distance between the points. Details on the formulation, and a set of illustrative examples focusing the reconstruction of cylindrical and double-curvature shells, and its further analysis, are presented.

An adaptive, implicit, conservative, 1D-2V multi-species Vlasov-Fokker-Planck multi-scale solver in planar geometry

NASA Astrophysics Data System (ADS)

Taitano, W. T.; Chacón, L.; Simakov, A. N.

2018-07-01

We consider a 1D-2V Vlasov-Fokker-Planck multi-species ionic description coupled to fluid electrons. We address temporal stiffness with implicit time stepping, suitably preconditioned. To address temperature disparity in time and space, we extend the conservative adaptive velocity-space discretization scheme proposed in [Taitano et al., J. Comput. Phys., 318, 391-420, (2016)] to a spatially inhomogeneous system. In this approach, we normalize the velocity-space coordinate to a temporally and spatially varying local characteristic speed per species. We explicitly consider the resulting inertial terms in the Vlasov equation, and derive a discrete formulation that conserves mass, momentum, and energy up to a prescribed nonlinear tolerance upon convergence. Our conservation strategy employs nonlinear constraints to enforce these properties discretely for both the Vlasov operator and the Fokker-Planck collision operator. Numerical examples of varying degrees of complexity, including shock-wave propagation, demonstrate the favorable efficiency and accuracy properties of the scheme.

A FSI computational framework for vascular physiopathology: A novel flow-tissue multiscale strategy.

PubMed

Bianchi, Daniele; Monaldo, Elisabetta; Gizzi, Alessio; Marino, Michele; Filippi, Simonetta; Vairo, Giuseppe

2017-09-01

A novel fluid-structure computational framework for vascular applications is herein presented. It is developed by combining the double multi-scale nature of vascular physiopathology in terms of both tissue properties and blood flow. Addressing arterial tissues, they are modelled via a nonlinear multiscale constitutive rationale, based only on parameters having a clear histological and biochemical meaning. Moreover, blood flow is described by coupling a three-dimensional fluid domain (undergoing physiological inflow conditions) with a zero-dimensional model, which allows to reproduce the influence of the downstream vasculature, furnishing a realistic description of the outflow proximal pressure. The fluid-structure interaction is managed through an explicit time-marching approach, able to accurately describe tissue nonlinearities within each computational step for the fluid problem. A case study associated to a patient-specific aortic abdominal aneurysmatic geometry is numerically investigated, highlighting advantages gained from the proposed multiscale strategy, as well as showing soundness and effectiveness of the established framework for assessing useful clinical quantities and risk indexes. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

Multi-quasiparticle excitations in 145Tb

NASA Astrophysics Data System (ADS)

Zheng, Y.; Zhou, X. H.; Zhang, Y. H.; Hayakawa, T.; Oshima, M.; Toh, Y.; Shizuma, T.; Katakura, J.; Hatsukawa, Y.; Matsuda, M.; Kusakari, H.; Sugawara, M.; Furuno, K.; Komatsubara, T.

2004-04-01

High-spin states in 145Tb have been investigated by means of in-beam ggr-ray spectroscopy techniques with the 118Sn(32S, 1p4n) reaction. Excitation functions, X-ggr-t and ggr-ggr-t coincidences and ggr-ray anisotropies were measured. A level scheme of 145Tb was established up to Exap 7 MeV. The level structure shows characteristics of a spherical nucleus. Based on the systematics of level structure in the odd-A N = 80 isotones, the level structure below 2 MeV excitation is interpreted by coupling an h11/2 proton to the excitations in the even-even 144Gd core. Above 2 MeV excitation, most of the yrast levels are interpreted with multi-quasiparticle shell-model configurations.

Multi-step-ahead crude oil price forecasting using a hybrid grey wave model

NASA Astrophysics Data System (ADS)

Chen, Yanhui; Zhang, Chuan; He, Kaijian; Zheng, Aibing

2018-07-01

Crude oil is crucial to the operation and economic well-being of the modern society. Huge changes of crude oil price always cause panics to the global economy. There are many factors influencing crude oil price. Crude oil price prediction is still a difficult research problem widely discussed among researchers. Based on the researches on Heterogeneous Market Hypothesis and the relationship between crude oil price and macroeconomic factors, exchange market, stock market, this paper proposes a hybrid grey wave forecasting model, which combines Random Walk (RW)/ARMA to forecast multi-step-ahead crude oil price. More specifically, we use grey wave forecasting model to model the periodical characteristics of crude oil price and ARMA/RW to simulate the daily random movements. The innovation also comes from using the information of the time series graph to forecast crude oil price, since grey wave forecasting is a graphical prediction method. The empirical results demonstrate that based on the daily data of crude oil price, the hybrid grey wave forecasting model performs well in 15- to 20-step-ahead prediction and it always dominates ARMA and Random Walk in correct direction prediction.

Subwavelength core/shell cylindrical nanostructures for novel plasmonic and metamaterial devices

NASA Astrophysics Data System (ADS)

Kim, Kyoung-Ho; No, You-Shin

2017-12-01

In this review, we introduce novel plasmonic and metamaterial devices based on one-dimensional subwavelength nanostructures with cylindrical symmetry. Individual single devices with semiconductor/metal core/shell or dielectric/metal core/multi-shell structures experience strong light-matter interaction and yield unique optical properties with a variety of functions, e.g., invisibility cloaking, super-scattering/super-absorption, enhanced luminescence and nonlinear optical activities, and deep subwavelength-scale optical waveguiding. We describe the rational design of core/shell cylindrical nanostructures and the proper choice of appropriate constituent materials, which allow the efficient manipulation of electromagnetic waves and help to overcome the limitations of conventional homogeneous nanostructures. The recent developments of bottom-up synthesis combined with the top-down fabrication technologies for the practical applications and the experimental realizations of 1D subwavelength core/shell nanostructure devices are briefly discussed.

Magnetic response of hybrid ferromagnetic and antiferromagnetic core-shell nanostructures

NASA Astrophysics Data System (ADS)

Khan, U.; Li, W. J.; Adeela, N.; Irfan, M.; Javed, K.; Wan, C. H.; Riaz, S.; Han, X. F.

2016-03-01

The synthesis of FeTiO3-Ni(Ni80Fe20) core-shell nanostructures by a two-step method (sol-gel and DC electrodeposition) has been demonstrated. XRD analysis confirms the rhombohedral crystal structure of FeTiO3(FTO) with space group R3&cmb.macr;. Transmission electron microscopy clearly depicts better morphology of nanostructures with shell thicknesses of ~25 nm. Room temperature magnetic measurements showed significant enhancement of magnetic anisotropy for the permalloy (Ni80Fe20)-FTO over Ni-FTO core-shell nanostructures. Low temperature magnetic measurements of permalloy-FeTiO3 core-shell structure indicated a strong exchange bias mechanism with magnetic coercivity below the antiferromagnetic Neel temperature (TN = 59 K). The exchange bias is attributed to the alignment of magnetic moments in the antiferromagnetic material at low temperature. Our scheme opens a path towards optimum automotive systems and wireless communications wherein broader bandwidths and smaller sizes are required.The synthesis of FeTiO3-Ni(Ni80Fe20) core-shell nanostructures by a two-step method (sol-gel and DC electrodeposition) has been demonstrated. XRD analysis confirms the rhombohedral crystal structure of FeTiO3(FTO) with space group R3&cmb.macr;. Transmission electron microscopy clearly depicts better morphology of nanostructures with shell thicknesses of ~25 nm. Room temperature magnetic measurements showed significant enhancement of magnetic anisotropy for the permalloy (Ni80Fe20)-FTO over Ni-FTO core-shell nanostructures. Low temperature magnetic measurements of permalloy-FeTiO3 core-shell structure indicated a strong exchange bias mechanism with magnetic coercivity below the antiferromagnetic Neel temperature (TN = 59 K). The exchange bias is attributed to the alignment of magnetic moments in the antiferromagnetic material at low temperature. Our scheme opens a path towards optimum automotive systems and wireless communications wherein broader bandwidths and smaller sizes are required. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07946b