Patch Finder Plus (PFplus): a web server for extracting and displaying positive electrostatic patches on protein surfaces.

PubMed

Shazman, Shula; Celniker, Gershon; Haber, Omer; Glaser, Fabian; Mandel-Gutfreund, Yael

2007-07-01

Positively charged electrostatic patches on protein surfaces are usually indicative of nucleic acid binding interfaces. Interestingly, many proteins which are not involved in nucleic acid binding possess large positive patches on their surface as well. In some cases, the positive patches on the protein are related to other functional properties of the protein family. PatchFinderPlus (PFplus) http://pfp.technion.ac.il is a web-based tool for extracting and displaying continuous electrostatic positive patches on protein surfaces. The input required for PFplus is either a four letter PDB code or a protein coordinate file in PDB format, provided by the user. PFplus computes the continuum electrostatics potential and extracts the largest positive patch for each protein chain in the PDB file. The server provides an output file in PDB format including a list of the patch residues. In addition, the largest positive patch is displayed on the server by a graphical viewer (Jmol), using a simple color coding.

Patch Finder Plus (PFplus): A web server for extracting and displaying positive electrostatic patches on protein surfaces

PubMed Central

Shazman, Shula; Celniker, Gershon; Haber, Omer; Glaser, Fabian; Mandel-Gutfreund, Yael

2007-01-01

Positively charged electrostatic patches on protein surfaces are usually indicative of nucleic acid binding interfaces. Interestingly, many proteins which are not involved in nucleic acid binding possess large positive patches on their surface as well. In some cases, the positive patches on the protein are related to other functional properties of the protein family. PatchFinderPlus (PFplus) http://pfp.technion.ac.il is a web-based tool for extracting and displaying continuous electrostatic positive patches on protein surfaces. The input required for PFplus is either a four letter PDB code or a protein coordinate file in PDB format, provided by the user. PFplus computes the continuum electrostatics potential and extracts the largest positive patch for each protein chain in the PDB file. The server provides an output file in PDB format including a list of the patch residues. In addition, the largest positive patch is displayed on the server by a graphical viewer (Jmol), using a simple color coding. PMID:17537808

The PyCASSO database: spatially resolved stellar population properties for CALIFA galaxies

NASA Astrophysics Data System (ADS)

de Amorim, A. L.; García-Benito, R.; Cid Fernandes, R.; Cortijo-Ferrero, C.; González Delgado, R. M.; Lacerda, E. A. D.; López Fernández, R.; Pérez, E.; Vale Asari, N.

2017-11-01

The Calar Alto Legacy Integral Field Area (CALIFA) survey, a pioneer in integral field spectroscopy legacy projects, has fostered many studies exploring the information encoded on the spatially resolved data on gaseous and stellar features in the optical range of galaxies. We describe a value-added catalogue of stellar population properties for CALIFA galaxies analysed with the spectral synthesis code starlight and processed with the pycasso platform. Our public database (http://pycasso.ufsc.br/, mirror at http://pycasso.iaa.es/) comprises 445 galaxies from the CALIFA Data Release 3 with COMBO data. The catalogue provides maps for the stellar mass surface density, mean stellar ages and metallicities, stellar dust attenuation, star formation rates, and kinematics. Example applications both for individual galaxies and for statistical studies are presented to illustrate the power of this data set. We revisit and update a few of our own results on mass density radial profiles and on the local mass-metallicity relation. We also show how to employ the catalogue for new investigations, and show a pseudo Schmidt-Kennicutt relation entirely made with information extracted from the stellar continuum. Combinations to other databases are also illustrated. Among other results, we find a very good agreement between star formation rate surface densities derived from the stellar continuum and the H α emission. This public catalogue joins the scientific community's effort towards transparency and reproducibility, and will be useful for researchers focusing on (or complementing their studies with) stellar properties of CALIFA galaxies.

FY10 Report on Multi-scale Simulation of Solvent Extraction Processes: Molecular-scale and Continuum-scale Studies

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

Wardle, Kent E.; Frey, Kurt; Pereira, Candido

2014-02-02

This task is aimed at predictive modeling of solvent extraction processes in typical extraction equipment through multiple simulation methods at various scales of resolution. We have conducted detailed continuum fluid dynamics simulation on the process unit level as well as simulations of the molecular-level physical interactions which govern extraction chemistry. Through combination of information gained through simulations at each of these two tiers along with advanced techniques such as the Lattice Boltzmann Method (LBM) which can bridge these two scales, we can develop the tools to work towards predictive simulation for solvent extraction on the equipment scale (Figure 1). Themore » goal of such a tool-along with enabling optimized design and operation of extraction units-would be to allow prediction of stage extraction effrciency under specified conditions. Simulation efforts on each of the two scales will be described below. As the initial application of FELBM in the work performed during FYl0 has been on annular mixing it will be discussed in context of the continuum-scale. In the future, however, it is anticipated that the real value of FELBM will be in its use as a tool for sub-grid model development through highly refined DNS-like multiphase simulations facilitating exploration and development of droplet models including breakup and coalescence which will be needed for the large-scale simulations where droplet level physics cannot be resolved. In this area, it can have a significant advantage over traditional CFD methods as its high computational efficiency allows exploration of significantly greater physical detail especially as computational resources increase in the future.« less

On the continuum mechanics approach for the analysis of single walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Chaudhry, M. S.; Czekanski, A.

2016-04-01

Today carbon nanotubes have found various applications in structural, thermal and almost every field of engineering. Carbon nanotubes provide great strength, stiffness resilience properties. Evaluating the structural behavior of nanoscale materials is an important task. In order to understand the materialistic behavior of nanotubes, atomistic models provide a basis for continuum mechanics modelling. Although the properties of bulk materials are consistent with the size and depends mainly on the material but the properties when we are in Nano-range, continuously change with the size. Such models start from the modelling of interatomic interaction. Modelling and simulation has advantage of cost saving when compared with the experiments. So in this project our aim is to use a continuum mechanics model of carbon nanotubes from atomistic perspective and analyses some structural behaviors of nanotubes. It is generally recognized that mechanical properties of nanotubes are dependent upon their structural details. The properties of nanotubes vary with the varying with the interatomic distance, angular orientation, radius of the tube and many such parameters. Based on such models one can analyses the variation of young's modulus, strength, deformation behavior, vibration behavior and thermal behavior. In this study some of the structural behaviors of the nanotubes are analyzed with the help of continuum mechanics models. Using the properties derived from the molecular mechanics model a Finite Element Analysis of carbon nanotubes is performed and results are verified. This study provides the insight on continuum mechanics modelling of nanotubes and hence the scope to study the effect of various parameters on some structural behavior of nanotubes.

The Multiple Continuum Components in the White-Light Flare of 16 January 2009 on the dM4.5e Star YZ CMi

NASA Astrophysics Data System (ADS)

Kowalski, A. F.; Hawley, S. L.; Holtzman, J. A.; Wisniewski, J. P.; Hilton, E. J.

2012-03-01

The white light during M dwarf flares has long been known to exhibit the broadband shape of a T≈10 000 K blackbody, and the white light in solar-flares is thought to arise primarily from hydrogen recombination. Yet, a current lack of broad-wavelength coverage solar flare spectra in the optical/near-UV region prohibits a direct comparison of the continuum properties to determine if they are indeed so different. New spectroscopic observations of a secondary flare during the decay of a megaflare on the dM4.5e star YZ CMi have revealed multiple components in the white-light continuum of stellar flares, including both a blackbody-like spectrum and a hydrogen-recombination spectrum. One of the most surprising findings is that these two components are anti-correlated in their temporal evolution. We combine initial phenomenological modeling of the continuum components with spectra from radiative hydrodynamic models to show that continuum veiling causes the measured anti-correlation. This modeling allows us to use the components' inferred properties to predict how a similar spatially resolved, multiple-component, white-light continuum might appear using analogies to several solar-flare phenomena. We also compare the properties of the optical stellar flare white light to Ellerman bombs on the Sun.

Toward modeling locomotion using electromyography-informed 3D models: application to cerebral palsy.

PubMed

Sartori, M; Fernandez, J W; Modenese, L; Carty, C P; Barber, L A; Oberhofer, K; Zhang, J; Handsfield, G G; Stott, N S; Besier, T F; Farina, D; Lloyd, D G

2017-03-01

This position paper proposes a modeling pipeline to develop clinically relevant neuromusculoskeletal models to understand and treat complex neurological disorders. Although applicable to a variety of neurological conditions, we provide direct pipeline applicative examples in the context of cerebral palsy (CP). This paper highlights technologies in: (1) patient-specific segmental rigid body models developed from magnetic resonance imaging for use in inverse kinematics and inverse dynamics pipelines; (2) efficient population-based approaches to derive skeletal models and muscle origins/insertions that are useful for population statistics and consistent creation of continuum models; (3) continuum muscle descriptions to account for complex muscle architecture including spatially varying material properties with muscle wrapping; (4) muscle and tendon properties specific to CP; and (5) neural-based electromyography-informed methods for muscle force prediction. This represents a novel modeling pipeline that couples for the first time electromyography extracted features of disrupted neuromuscular behavior with advanced numerical methods for modeling CP-specific musculoskeletal morphology and function. The translation of such pipeline to the clinical level will provide a new class of biomarkers that objectively describe the neuromusculoskeletal determinants of pathological locomotion and complement current clinical assessment techniques, which often rely on subjective judgment. WIREs Syst Biol Med 2017, 9:e1368. doi: 10.1002/wsbm.1368 For further resources related to this article, please visit the WIREs website. © 2016 Wiley Periodicals, Inc.

A VLA radio continuum survey of active late-type giants in binary systems - Preliminary results

NASA Technical Reports Server (NTRS)

Drake, S. A.; Simon, T.; Linsky, J. L.

1985-01-01

Preliminary results of a 6 cm continuum survey using the NRAO VLA of binary systems with 10-100 day orbital period containing an 'active' giant component are reported. The results show that strong radio continuum emission at centimeter wavelengths is a common but not universal property of this class of stars. Possible correlations between radio luminosity and other properties, such as X-ray luminosity, rotational period, and type of companion are discussed. Several binary systems which have been detected for the first time as radio sources are reported, and sensitive upper limits are presented for five other systems, including Capella.

Computational, Experimental and Engineering Foundations of Ionic Channels as Miniaturized Sensors, Devices and Systems

DTIC Science & Technology

2003-10-01

made in an ensemble of channels of unknown orientation and number, preventing quantitative analysis . • Currents have been compared among continuum PNP...microfluidic) analysis of ion channels to obtain fundamental insights into the selectivity, conductivity, and sensitivity of ion channels [19], [6...1.1 Develop fast and efficient simulators for steady-state analysis of continuum model for extraction of I-V curves. 1.2 Create

Effective constitutive relations for large repetitive frame-like structures

NASA Technical Reports Server (NTRS)

Nayfeh, A. H.; Hefzy, M. S.

1981-01-01

Effective mechanical properties for large repetitive framelike structures are derived using combinations of strength of material and orthogonal transformation techniques. Symmetry considerations are used in order to identify independent property constants. The actual values of these constants are constructed according to a building block format which is carried out in the three consecutive steps: (1) all basic planar lattices are identified; (2) effective continuum properties are derived for each of these planar basic grids using matrix structural analysis methods; and (3) orthogonal transformations are used to determine the contribution of each basic set to the overall effective continuum properties of the structure.

From the Nano- to the Macroscale - Bridging Scales for the Moving Contact Line Problem

NASA Astrophysics Data System (ADS)

Nold, Andreas; Sibley, David; Goddard, Benjamin; Kalliadasis, Serafim; Complex Multiscale Systems Team

2016-11-01

The moving contact line problem remains an unsolved fundamental problem in fluid mechanics. At the heart of the problem is its multiscale nature: a nanoscale region close to the solid boundary where the continuum hypothesis breaks down, must be resolved before effective macroscale parameters such as contact line friction and slip can be obtained. To capture nanoscale properties very close to the contact line and to establish a link to the macroscale behaviour, we employ classical density-functional theory (DFT), in combination with extended Navier-Stokes-like equations. Using simple models for viscosity and slip at the wall, we compare our computations with the Molecular Kinetic Theory, by extracting the contact line friction, depending on the imposed temperature of the fluid. A key fluid property captured by DFT is the fluid layering at the wall-fluid interface, which has a large effect on the shearing properties of a fluid. To capture this crucial property, we propose an anisotropic model for the viscosity, which also allows us to scrutinize the effect of fluid layering on contact line friction.

IRIS Ultraviolet Spectral Properties of a Sample of X-Class Solar Flares

NASA Astrophysics Data System (ADS)

Butler, Elizabeth; Kowalski, Adam; Cauzzi, Gianna; Allred, Joel C.; Daw, Adrian N.

2018-06-01

The white-light (near-ultraviolet (NUV) and optical) continuum emission comprises the majority of the radiated energy in solar flares. However, there are nearly as many explanations for the origin of the white-light continuum radiation as there are white-light flares that have been studied in detail with spectra. Furthermore, there are rarely robust constraints on the time-resolved dynamics in the white-light emitting flare layers. We are conducting a statistical study of the properties of Fe II lines, Mg II lines, and NUV continuum intensity in bright flare kernels observed by the Interface Region Imaging Spectrograph (IRIS), in order to provide comprehensive constraints for radiative-hydrodynamic flare models. Here we present a new technique for identifying bright flare kernels and preliminary relationships among IRIS spectral properties for a sample of X-class solar flares.

An EQT-cDFT approach to determine thermodynamic properties of confined fluids.

PubMed

Mashayak, S Y; Motevaselian, M H; Aluru, N R

2015-06-28

We present a continuum-based approach to predict the structure and thermodynamic properties of confined fluids at multiple length-scales, ranging from a few angstroms to macro-meters. The continuum approach is based on the empirical potential-based quasi-continuum theory (EQT) and classical density functional theory (cDFT). EQT is a simple and fast approach to predict inhomogeneous density and potential profiles of confined fluids. We use EQT potentials to construct a grand potential functional for cDFT. The EQT-cDFT-based grand potential can be used to predict various thermodynamic properties of confined fluids. In this work, we demonstrate the EQT-cDFT approach by simulating Lennard-Jones fluids, namely, methane and argon, confined inside slit-like channels of graphene. We show that the EQT-cDFT can accurately predict the structure and thermodynamic properties, such as density profiles, adsorption, local pressure tensor, surface tension, and solvation force, of confined fluids as compared to the molecular dynamics simulation results.

The significance of turbulent flow representation in single-continuum models

USGS Publications Warehouse

Reimann, T.; Rehrl, C.; Shoemaker, W.B.; Geyer, T.; Birk, S.

2011-01-01

Karst aquifers exhibit highly conductive features caused from rock dissolution processes. Flow within these structures can become turbulent and therefore can be expressed by nonlinear gradient functions. One way to account for these effects is by coupling a continuum model with a conduit network. Alternatively, turbulent flow can be considered by adapting the hydraulic conductivity within the continuum model. Consequently, the significance of turbulent flow on the dynamic behavior of karst springs is investigated by an enhanced single-continuum model that results in conduit-type flow in continuum cells (CTFC). The single-continuum approach CTFC represents laminar and turbulent flow as well as more complex hybrid models that require additional programming and numerical efforts. A parameter study is conducted to investigate the effects of turbulent flow on the response of karst springs to recharge events using the new CTFC approach, existing hybrid models, and MODFLOW-2005. Results reflect the importance of representing (1) turbulent flow in karst conduits and (2) the exchange between conduits and continuum cells. More specifically, laminar models overestimate maximum spring discharge and underestimate hydraulic gradients within the conduit. It follows that aquifer properties inferred from spring hydrographs are potentially impaired by ignoring flow effects due to turbulence. The exchange factor used for hybrid models is necessary to account for the scale dependency between hydraulic properties of the matrix continuum and conduits. This functionality, which is not included in CTFC, can be mimicked by appropriate use of the Horizontal Flow Barrier package for MODFLOW. Copyright 2011 by the American Geophysical Union.

Bound states in the continuum and polarization singularities in periodic arrays of dielectric rods

NASA Astrophysics Data System (ADS)

Bulgakov, Evgeny N.; Maksimov, Dmitrii N.

2017-12-01

We consider optical bound states in the continuum (BICs) in periodic arrays of dielectric rods. The full classification of BICs in the above system is provided, including the modes propagating along the axes of the rods and bidirectional BICs propagating both along the axes of the rods and the axis of periodicity. It is shown that the leaky zones supporting the BICs generally have elliptically polarized far-field radiation patterns, with the polarization ellipses collapsing on approach to the BICs in momentum space. That allowed us to apply the concept of polarization singularities and demonstrate that the BICs possess a topological charge defined as the winding number of the polarization direction [Phys. Rev. Lett. 113, 257401 (2014), 10.1103/PhysRevLett.113.257401]. It is found that the evolution of the BICs, including their creation and annihilation, under variation of geometric parameters is controlled by the topological charge. Three scenarios of such evolution for different leaky zones are described. Finally, it is shown that the topological properties of the BICs can be extracted from transmission spectra when the system is illuminated by a plane wave of circular polarization.

Discrimination Between Maturity and Composition from Integrated Clementine UltraViolet-Visible and Near-Infrared Data

NASA Astrophysics Data System (ADS)

Le Mouelic, S.; Langevin, Y.; Erard, S.; Pinet, P.; Daydou, Y.; Chevrel, S.

1999-01-01

The Clementine UV-VIS dataset has greatly improved our understanding of the Moon. The UV-VIS camera was limited to five spectral channels from 415 to 1000 nm. The Clementine near-infrared (NIR) camera was designed to complement this spectral coverage. The NIR filter at 2000 run allows the discrimination between olivine and pyroxene within identified mare basalts. In addition, we will show that the integration of Clementine UV-VIS and NIR datasets allows a better evaluation of the ferrous 1-micron absorption band depth and gives access to the slope of the continuum. The discrimination between maturity and FeO composition can be achieved by a principal component analysis performed on spectral parameters. We selected 952 Clementine UV-VIS and NIR images to compute a multispectral cube covering the Aristarchus Plateau. Aristarchus Plateau is one of the most heterogeneous areas on the Moon. Highland-type materials, mare basalts, and dark mantle deposits have previously been mentioned. The mosaic represents a set of about 500 x 600 nine-channel spectra. UV-VIS filters at 415, 750, 900, 950, and 1000 run were calibrated using the ISIS software. We applied the reduction method described elsewhere to reduce the NIR filters at 1100, 1250, 1500 and 2000 nm. Absolute gain and offset values were refined for the NIR images by using eight telescopic spectra acquired as references. With this calibration test, we were able to reproduce the eight telescopic spectra with a maximum error of 1.8%. The integration of UV-VIS and NIR spectral channels allows the visualization of complete low-resolution spectra. In order to investigate the spectral effects of the space-weathering processes, we focused our analysis on a small mare crater and its immediate surroundings. According to the small size of the crater (about 2-km) and its location on an homogeneous mare area, we can reasonably assume that the content in FeO is homogeneous. The impact event has induced a variation of the maturity of the soil by excavating fresh material. Graphs displays five absolute reflectance spectra extracted from this area. One graph displays the same spectra divided by a continuum, which is considered to be a right line fitting the spectra at 0.75 and 1.5 micron. Spectrum 1 is extracted from the brightest part of the crater interior, and spectrum 5 is extracted from the surrounding mare material. Spectra 2, 3, and 4 are extracted from intermediate distances between the two areas. The 1-and-2 micron absorption band depths and the overall reflectance increase from spectrum 5 (corresponding to a mature area) to spectrum 1 (the most immature area). Conversely, the continuum slope decreases from spectrum 5 to spectrum 1. These three spectral effects of maturity have also been identified on laboratory spectra of lunar samples. Most of the lunar soils exhibit a signature near 1 micron. This absorption band is due to the presence of Fe2+ in mafic minerals such as orthopyroxene, clinopyroxene, and olivine. In the case of Clementine UV-VIS data alone, the depth of the 1-micron feature is evaluated by the 950/750-nm reflectance ratio. This ratio combined to the reflectance at 750nm has been used to evaluate the global content in FeO of the lunar surface. Near-infrared data makes a more precise evaluation of the 1 micron band depth possible by providing the right side of the band. The continuum in the vicinity of the band can be evaluated by an arithmetic mean or a geometric interpolation of both sides of the band, which are taken at 750 and 1500nm. The geometric interpolation is less sensitive to residual calibration uncertainties. With this method, the 1-micron absorption band depth for the Aristarchus; Plateau can be refined by as much as 10%. The difference is maximum on Fe-poor, highland-type materials. Similarly, the NIR data provide the possibility to investigate the continuum slope of the spectra. The continuum slope is a key parameter in any spectral analysis. The continuum slope variations seem to be mainly dominated by maturity effects, as suggested by the high correlation with the independent evaluation of maturity (OMAT parameter). We have also found a good correlation between the continuum slope and the OMAT parameter on laboratory spectra of lunar samples of the J. B. Adams collection. The discrimination between maturity effects and composition effects can be achieved by using a principal component analysis (PCA) on three spectral parameters, which are the reflectance at 0.75 micron the depth of the 1-micron feature, and the continuum slope. These parameters are mostly affected by maturity and FeO content. The effects of various glass content are assimilated to maturity. The aim of the PCA is to decorrelate the FeO content and maturity effects in the three input parameters. The integration of UV-VIS and NIR datasets allows for a better understanding of the spectral properties of the lunar surface by giving access to key parameters such as the 1 and 2-micron band depths and the continuum slope. The continuum slope can be combined with the depth of the mafic 1-micron absorption feature and the reflectance at 750 nm to discriminate between maturity and composition. NIR images of the sample return stations will be very interesting to refine absolute FeO content and maturity evaluations. Additional information is available in original.

The archetype-genome exemplar in molecular dynamics and continuum mechanics

NASA Astrophysics Data System (ADS)

Greene, M. Steven; Li, Ying; Chen, Wei; Liu, Wing Kam

2014-04-01

We argue that mechanics and physics of solids rely on a fundamental exemplar: the apparent properties of a system depend on the building blocks that comprise it. Building blocks are referred to as archetypes and apparent system properties as the system genome. Three entities are of importance: the archetype properties, the conformation of archetypes, and the properties of interactions activated by that conformation. The combination of these entities into the system genome is called assembly. To show the utility of the archetype-genome exemplar, this work presents the mathematical ingredients and computational implementation of theories in solid mechanics that are (1) molecular and (2) continuum manifestations of the assembly process. Both coarse-grained molecular dynamics (CGMD) and the archetype-blending continuum (ABC) theories are formulated then applied to polymer nanocomposites (PNCs) to demonstrate the impact the components of the assembly triplet have on a material genome. CGMD simulations demonstrate the sensitivity of nanocomposite viscosities and diffusion coefficients to polymer chain types (archetype), polymer-nanoparticle interaction potentials (interaction), and the structural configuration (conformation) of dispersed nanoparticles. ABC simulations show the contributions of bulk polymer (archetype) properties, occluded region of bound rubber (interaction) properties, and microstructural binary images (conformation) to predictions of linear damping properties, the Payne effect, and localization/size effects in the same class of PNC material. The paper is light on mathematics. Instead, the focus is on the usefulness of the archetype-genome exemplar to predict system behavior inaccessible to classical theories by transitioning mechanics away from heuristic laws to mechanism-based ones. There are two core contributions of this research: (1) presentation of a fundamental axiom—the archetype-genome exemplar—to guide theory development in computational mechanics, and (2) demonstrations of its utility in modern theoretical realms: CGMD, and generalized continuum mechanics.

Rarefaction effects on Galileo probe aerodynamics

NASA Technical Reports Server (NTRS)

Moss, James N.; LeBeau, Gerald J.; Blanchard, Robert C.; Price, Joseph M.

1996-01-01

Solutions of aerodynamic characteristics are presented for the Galileo Probe entering Jupiter's hydrogen-helium atmosphere at a nominal relative velocity of 47.4 km/s. Focus is on predicting the aerodynamic drag coefficient during the transitional flow regime using the direct simulation Monte Carlo (DSMC) method. Accuracy of the probe's drag coefficient directly impacts the inferred atmospheric properties that are being extracted from the deceleration measurements made by onboard accelerometers as part of the Atmospheric Structure Experiment. The range of rarefaction considered in the present study extends from the free molecular limit to continuum conditions. Comparisons made with previous calculations and experimental measurements show the present results for drag to merge well with Navier-Stokes and experimental results for the least rarefied conditions considered.

The GRIDView Visualization Package

NASA Astrophysics Data System (ADS)

Kent, B. R.

2011-07-01

Large three-dimensional data cubes, catalogs, and spectral line archives are increasingly important elements of the data discovery process in astronomy. Visualization of large data volumes is of vital importance for the success of large spectral line surveys. Examples of data reduction utilizing the GRIDView software package are shown. The package allows users to manipulate data cubes, extract spectral profiles, and measure line properties. The package and included graphical user interfaces (GUIs) are designed with pipeline infrastructure in mind. The software has been used with great success analyzing spectral line and continuum data sets obtained from large radio survey collaborations. The tools are also important for multi-wavelength cross-correlation studies and incorporate Virtual Observatory client applications for overlaying database information in real time as cubes are examined by users.

Extension of a hybrid particle-continuum method for a mixture of chemical species

NASA Astrophysics Data System (ADS)

Verhoff, Ashley M.; Boyd, Iain D.

2012-11-01

Due to the physical accuracy and numerical efficiency achieved by analyzing transitional, hypersonic flow fields with hybrid particle-continuum methods, this paper describes a Modular Particle-Continuum (MPC) method and its extension to include multiple chemical species. Considerations that are specific to a hybrid approach for simulating gas mixtures are addressed, including a discussion of the Chapman-Enskog velocity distribution function (VDF) for near-equilibrium flows, and consistent viscosity models for the individual CFD and DSMC modules of the MPC method. Representative results for a hypersonic blunt-body flow are then presented, where the flow field properties, surface properties, and computational performance are compared for simulations employing full CFD, full DSMC, and the MPC method.

Asteroid-comet continuum objects in the solar system.

PubMed

Hsieh, Henry H

2017-07-13

In this review presented at the Royal Society meeting, 'Cometary science after Rosetta', I present an overview of studies of small solar system objects that exhibit properties of both asteroids and comets (with a focus on so-called active asteroids). Sometimes referred to as 'transition objects', these bodies are perhaps more appropriately described as 'continuum objects', to reflect the notion that rather than necessarily representing actual transitional evolutionary states between asteroids and comets, they simply belong to the general population of small solar system bodies that happen to exhibit a continuous range of observational, physical and dynamical properties. Continuum objects are intriguing because they possess many of the properties that make classical comets interesting to study (e.g. relatively primitive compositions, ejection of surface and subsurface material into space where it can be more easily studied, and orbital properties that allow us to sample material from distant parts of the solar system that would otherwise be inaccessible), while allowing us to study regions of the solar system that are not sampled by classical comets.This article is part of the themed issue 'Cometary science after Rosetta'. © 2017 The Author(s).

Anomalous vibrational properties in the continuum limit of glasses

NASA Astrophysics Data System (ADS)

Shimada, Masanari; Mizuno, Hideyuki; Ikeda, Atsushi

2018-02-01

The low-temperature thermal properties of glasses are anomalous with respect to those of crystals. These thermal anomalies indicate that the low-frequency vibrational properties of glasses differ from those of crystals. Recent studies revealed that, in the simplest model of glasses, i.e., the harmonic potential system, phonon modes coexist with soft localized modes in the low-frequency (continuum) limit. However, the nature of low-frequency vibrational modes of more realistic models is still controversial. In the present work, we study the Lennard-Jones (LJ) system using large-scale molecular-dynamics (MD) simulation and establish that the vibrational property of the LJ glass converges to coexistence of the phonon modes and the soft localized modes in the continuum limit as in the case of the harmonic potential system. Importantly, we find that the low-frequency vibrations are rather sensitive to the numerical scheme of potential truncation, which is usually implemented in the MD simulation, and this is the reason why contradictory arguments have been reported by previous works. We also discuss the physical origin of this sensitiveness by means of a linear stability analysis.

Recent advances in continuum plasticity: phenomenological modeling and experimentation using X-ray diffraction

NASA Astrophysics Data System (ADS)

Edmiston, John Kearney

This work explores the field of continuum plasticity from two fronts. On the theory side, we establish a complete specification of a phenomenological theory of plasticity for single crystals. The model serves as an alternative to the popular crystal plasticity formulation. Such a model has been previously proposed in the literature; the new contribution made here is the constitutive framework and resulting simulations. We calibrate the model to available data and use a simple numerical method to explore resulting predictions in plane strain boundary value problems. Results show promise for further investigation of the plasticity model. Conveniently, this theory comes with a corresponding experimental tool in X-ray diffraction. Recent advances in hardware technology at synchrotron sources have led to an increased use of the technique for studies of plasticity in the bulk of materials. The method has been successful in qualitative observations of material behavior, but its use in quantitative studies seeking to extract material properties is open for investigation. Therefore in the second component of the thesis several contributions are made to synchrotron X-ray diffraction experiments, in terms of method development as well as the quantitative reporting of constitutive parameters. In the area of method development, analytical tools are developed to determine the available precision of this type of experiment—a crucial aspect to determine if the method is to be used for quantitative studies. We also extract kinematic information relating to intragranular inhomogeneity which is not accessible with traditional methods of data analysis. In the area of constitutive parameter identification, we use the method to extract parameters corresponding to the proposed formulation of plasticity for a titanium alloy (HCP) which is continuously sampled by X-ray diffraction during uniaxial extension. These results and the lessons learned from the efforts constitute early reporting of the quantitative profitability of undertaking such a line of experimentation for the study of plastic deformation processes.

Equivalent-Continuum Modeling of Nano-Structured Materials

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

2001-01-01

A method has been developed for modeling structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with an equivalent-continuum model. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As an important example with direct application to the development and characterization of single-walled carbon nanotubes, the model has been applied to determine the effective continuum geometry of a graphene sheet. A representative volume element of the equivalent-continuum model has been developed with an effective thickness. This effective thickness has been shown to be similar to, but slightly smaller than, the interatomic spacing of graphite.

Lagrangian continuum dynamics in ALEGRA.

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

Wong, Michael K. W.; Love, Edward

Alegra is an ALE (Arbitrary Lagrangian-Eulerian) multi-material finite element code that emphasizes large deformations and strong shock physics. The Lagrangian continuum dynamics package in Alegra uses a Galerkin finite element spatial discretization and an explicit central-difference stepping method in time. The goal of this report is to describe in detail the characteristics of this algorithm, including the conservation and stability properties. The details provided should help both researchers and analysts understand the underlying theory and numerical implementation of the Alegra continuum hydrodynamics algorithm.

Analogies in electronic properties of graphene wormhole and perturbed nanocylinder

NASA Astrophysics Data System (ADS)

Pincak, R.; Smotlacha, J.

2013-11-01

The electronic properties of the wormhole and the perturbed nanocylinder were investigated using two different methods: the continuum gauge field-theory model that deals with the continuum approximation of the surface and the Haydock recursion method that transforms the surface into a simplier structure and deals with the nearest-neighbor interactions. Furthermore, the changes of the electronic properties were investigated for the case of enclosing the appropriate structure, and possible substitutes for the encloser were derived. Finally, the character of the electron flux through the perturbed wormhole was predicted from the model based on the multiwalled nanotubes. The effect of the "graphene blackhole" is introduced.

Multiscale Modeling of Damage Processes in fcc Aluminum: From Atoms to Grains

NASA Technical Reports Server (NTRS)

Glaessgen, E. H.; Saether, E.; Yamakov, V.

2008-01-01

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, current analysis is limited to small domains and increasing the size of the MD domain quickly presents intractable computational demands. A preferred approach to surmount this computational limitation has been to combine continuum mechanics-based modeling procedures, such as the finite element method (FEM), with MD analyses thereby reducing the region of atomic scale refinement. Such multiscale modeling strategies can be divided into two broad classifications: concurrent multiscale methods that directly incorporate an atomistic domain within a continuum domain and sequential multiscale methods that extract an averaged response from the atomistic simulation for later use as a constitutive model in a continuum analysis.

Phase Field Model of Hydraulic Fracturing in Poroelastic Media: Fracture Propagation, Arrest, and Branching Under Fluid Injection and Extraction

NASA Astrophysics Data System (ADS)

Santillán, David; Juanes, Ruben; Cueto-Felgueroso, Luis

2018-03-01

The simulation of fluid-driven fracture propagation in a porous medium is a major computational challenge, with applications in geosciences and engineering. The two main families of modeling approaches are those models that represent fractures as explicit discontinuities and solve the moving boundary problem and those that represent fractures as thin damaged zones, solving a continuum problem throughout. The latter family includes the so-called phase field models. Continuum approaches to fracture face validation and verification challenges, in particular grid convergence, well posedness, and physical relevance in practical scenarios. Here we propose a new quasi-static phase field formulation. The approach fully couples fluid flow in the fracture with deformation and flow in the porous medium, discretizes flow in the fracture on a lower-dimension manifold, and employs the fluid flux between the fracture and the porous solid as coupling variable. We present a numerical assessment of the model by studying the propagation of a fracture in the quarter five-spot configuration. We study the interplay between injection flow rate and rock properties and elucidate fracture propagation patterns under the leak-off toughness dominated regime as a function of injection rate, initial fracture length, and poromechanical properties. For the considered injection scenario, we show that the final fracture length depends on the injection rate, and three distinct patterns are observed. We also rationalize the system response using dimensional analysis to collapse the model results. Finally, we propose some simplifications that alleviate the computational cost of the simulations without significant loss of accuracy.

Mesoscale Effective Property Simulations Incorporating Conductive Binder

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

Trembacki, Bradley L.; Noble, David R.; Brunini, Victor E.

Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolyte-filled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure,more » a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Lastly, our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.« less

Mesoscale Effective Property Simulations Incorporating Conductive Binder

DOE PAGES

Trembacki, Bradley L.; Noble, David R.; Brunini, Victor E.; ...

2017-07-26

Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolyte-filled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure,more » a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Lastly, our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.« less

Reproducing the nonlinear dynamic behavior of a structured beam with a generalized continuum model

NASA Astrophysics Data System (ADS)

Vila, J.; Fernández-Sáez, J.; Zaera, R.

2018-04-01

In this paper we study the coupled axial-transverse nonlinear vibrations of a kind of one dimensional structured solids by application of the so called Inertia Gradient Nonlinear continuum model. To show the accuracy of this axiomatic model, previously proposed by the authors, its predictions are compared with numeric results from a previously defined finite discrete chain of lumped masses and springs, for several number of particles. A continualization of the discrete model equations based on Taylor series allowed us to set equivalent values of the mechanical properties in both discrete and axiomatic continuum models. Contrary to the classical continuum model, the inertia gradient nonlinear continuum model used herein is able to capture scale effects, which arise for modes in which the wavelength is comparable to the characteristic distance of the structured solid. The main conclusion of the work is that the proposed generalized continuum model captures the scale effects in both linear and nonlinear regimes, reproducing the behavior of the 1D nonlinear discrete model adequately.

A new methodology for determination of macroscopic transport parameters in drying porous media

NASA Astrophysics Data System (ADS)

Attari Moghaddam, A.; Kharaghani, A.; Tsotsas, E.; Prat, M.

2015-12-01

Two main approaches have been used to model the drying process: The first approach considers the partially saturated porous medium as a continuum and partial differential equations are used to describe the mass, momentum and energy balances of the fluid phases. The continuum-scale models (CM) obtained by this approach involve constitutive laws which require effective material properties, such as the diffusivity, permeability, and thermal conductivity which are often determined by experiments. The second approach considers the material at the pore scale, where the void space is represented by a network of pores (PN). Micro- or nanofluidics models used in each pore give rise to a large system of ordinary differential equations with degrees of freedom at each node of the pore network. In this work, the moisture transport coefficient (D), the pseudo desorption isotherm inside the network and at the evaporative surface are estimated from the post-processing of the three-dimensional pore network drying simulations for fifteen realizations of the pore space geometry from a given probability distribution. A slice sampling method is used in order to extract these parameters from PN simulations. The moisture transport coefficient obtained in this way is shown in Fig. 1a. The minimum of average D values demonstrates the transition between liquid dominated moisture transport region and vapor dominated moisture transport region; a similar behavior has been observed in previous experimental findings. A function is fitted to the average D values and then is fed into the non-linear moisture diffusion equation. The saturation profiles obtained from PN and CM simulations are shown in Fig. 1b. Figure 1: (a) extracted moisture transport coefficient during drying for fifteen realizations of the pore network, (b) average moisture profiles during drying obtained from PN and CM simulations.

Manipulability, force, and compliance analysis for planar continuum manipulators

NASA Technical Reports Server (NTRS)

Gravagne, Ian A.; Walker, Ian D.

2002-01-01

Continuum manipulators, inspired by the natural capabilities of elephant trunks and octopus tentacles, may find niche applications in areas like human-robot interaction, multiarm manipulation, and unknown environment exploration. However, their true capabilities will remain largely inaccessible without proper analytical tools to evaluate their unique properties. Ellipsoids have long served as one of the foremost analytical tools available to the robotics researcher, and the purpose of this paper is to first formulate, and then to examine, three types of ellipsoids for continuum robots: manipulability, force, and compliance.

Manipulability, force, and compliance analysis for planar continuum manipulators.

PubMed

Gravagne, Ian A; Walker, Ian D

2002-06-01

Continuum manipulators, inspired by the natural capabilities of elephant trunks and octopus tentacles, may find niche applications in areas like human-robot interaction, multiarm manipulation, and unknown environment exploration. However, their true capabilities will remain largely inaccessible without proper analytical tools to evaluate their unique properties. Ellipsoids have long served as one of the foremost analytical tools available to the robotics researcher, and the purpose of this paper is to first formulate, and then to examine, three types of ellipsoids for continuum robots: manipulability, force, and compliance.

VizieR Online Data Catalog: Jekyll & Hyde galaxies ALMA cube & spectrum (Schreiber+, 2018)

NASA Astrophysics Data System (ADS)

Schreiber, C.; Labbe, I.; Glazebrook, K.; Bekiaris, G.; Papovich, C.; Costa, T.; Elbaz, D.; Kacprzak, G. G.; Nanayakkara, T.; Oesch, P.; Pannella, M.; Spitler, L.; Straatman, C.; Tran, K.-V.; Wang, T.

2017-11-01

These files consist of the full ALMA data cube for the galaxies Jekyll and Hyde, together with the extracted continuum image and the spectrum of Hyde. The data cube was produced by CASA (v4.7.0), the continuum image was constructed as the weighted average in line-free channels, and the spectrum was extracted at the peak flux position of Hyde. The data cube and spectrum files contain two extensions, one for the flux, and another for the uncertainty. This uncertainty was determined from the RMS of the cube data between 2 and 8" away from the center. All fluxes are in units of Jansky, and the spectral axis is given in observed frequency (GHz). The images were not CLEANed, therefore the dirty beam (which is also provided here) is the correct point-spread function to use when analyzing these images. (2 data files).

A continuum-based structural modeling approach for cellulose nanocrystals (CNCs)

Treesearch

Mehdi Shishehbor; Fernando L. Dri; Robert J. Moon; Pablo D. Zavattieri

2018-01-01

We present a continuum-based structural model to study the mechanical behavior of cel- lulose nanocrystals (CNCs), and analyze the effect of bonded and non-bonded interactions on the mechanical properties under various loading conditions. In particular, this model assumes the uncoupling between the bonded and non-bonded interactions and their be- havior is obtained...

Time Resolved Temperature Measurement of Hypervelocity Impact Generated Plasma Using a Global Optimization Method

NASA Astrophysics Data System (ADS)

Hew, Y. M.; Linscott, I.; Close, S.

2015-12-01

Meteoroids and orbital debris, collectively referred to as hypervelocity impactors, travel between 7 and 72 km/s in free space. Upon their impact onto the spacecraft, the energy conversion from kinetic to ionization/vaporization occurs within a very brief timescale and results in a small and dense expanding plasma with a very strong optical flash. The radio frequency (RF) emission produced by this plasma can potentially lead to electrical anomalies within the spacecraft. In addition, space weather, such as solar activity and background plasma, can establish spacecraft conditions which can exaggerate the damages done by these impacts. During the impact, a very strong impact flash will be generated. Through the studying of this emission spectrum of the impact, we hope to study the impact generated gas cloud/plasma properties. The impact flash emitted from a ground-based hypervelocity impact test is long expected by many scientists to contain the characteristics of the impact generated plasma, such as plasma temperature and density. This paper presents a method for the time-resolved plasma temperature estimation using three-color visible band photometry data with a global pattern search optimization method. The equilibrium temperature of the plasma can be estimated using an optical model which accounts for both the line emission and continuum emission from the plasma. Using a global pattern search based optimizer, the model can isolate the contribution of the continuum emission versus the line emission from the plasma. The plasma temperature can thus be estimated. Prior to the optimization step, a Gaussian process is also applied to extract the optical emission signal out of the noisy background. The resultant temperature and line-to-continuum emission weighting factor are consistent with the spectrum of the impactor material and current literature.

Equivalent-Continuum Modeling With Application to Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.; Nicholson, Lee M.; Wise, Kristopher E.

2002-01-01

A method has been proposed for developing structure-property relationships of nano-structured materials. This method serves as a link between computational chemistry and solid mechanics by substituting discrete molecular structures with equivalent-continuum models. It has been shown that this substitution may be accomplished by equating the vibrational potential energy of a nano-structured material with the strain energy of representative truss and continuum models. As important examples with direct application to the development and characterization of single-walled carbon nanotubes and the design of nanotube-based devices, the modeling technique has been applied to determine the effective-continuum geometry and bending rigidity of a graphene sheet. A representative volume element of the chemical structure of graphene has been substituted with equivalent-truss and equivalent continuum models. As a result, an effective thickness of the continuum model has been determined. This effective thickness has been shown to be significantly larger than the interatomic spacing of graphite. The effective thickness has been shown to be significantly larger than the inter-planar spacing of graphite. The effective bending rigidity of the equivalent-continuum model of a graphene sheet was determined by equating the vibrational potential energy of the molecular model of a graphene sheet subjected to cylindrical bending with the strain energy of an equivalent continuum plate subjected to cylindrical bending.

The ultraviolet and visible spectrum of the polycyclic aromatic hydrocarbon C10H8(+) - Possible contributions to the diffuse interstellar bands and to the ultraviolet-visible extinction

NASA Technical Reports Server (NTRS)

Salama, F.; Allamandola, L. J.

1992-01-01

The properties of the cation of the PAH naphthalene (C10H8(+)) isolated in inert gas matrices under conditions relevant to astrophysical environments are described. The band at 6741 A is the strongest and falls close to the weak 6742 A diffuse interstellar bands (DIBs). Five other weaker bands also fall remarkably close to the positions of known DIBs. A very intense and broad continuum extended from the UV to the visible, which seems to be associated with the ion, is reported. The molar absorption coefficient at the peak of the continuum is 2.0 x 10 exp 6 cu dm/mol cm. If a continuum is a general property of PAH cations, this characteristic will have a strong impact on the understanding of how PAHs convert interstellar UV and visible radiation into IR radiation.

Broad-band properties of the CfA Seyfert galaxies. III - Ultraviolet variability

NASA Technical Reports Server (NTRS)

Edelson, R. A.; Pike, G. F.; Krolik, J. H.

1990-01-01

A total of 657 archived IUE spectra are used to study the UV variability properties of six members of the CfA Seyfert I galaxy sample. All show strong evidence for continuum and line variations and a tendency for less luminous objects to be more strongly variable. Most objects show a clear correlation at zero lag between UV spectral index and luminosity, evidence that the variable component is an accretion disk around a black hole which is systematically smaller in less luminous sources. No correlation is seen between the continuum luminosity and equivalent width of the C IV, Mg II, and semiforbidden C III emission lines when the entire sample is examined, but a clear anticorrelation is present when only repeated observations of individual objects are considered. This is due to a combination of light-travel time effects in the broad-line region and the nonlinear responses of lines to continuum fluctuations.

Conformational Modeling of Continuum Structures in Robotics and Structural Biology: A Review

PubMed Central

Chirikjian, G. S.

2016-01-01

Hyper-redundant (or snakelike) manipulators have many more degrees of freedom than are required to position and orient an object in space. They have been employed in a variety of applications ranging from search-and-rescue to minimally invasive surgical procedures, and recently they even have been proposed as solutions to problems in maintaining civil infrastructure and the repair of satellites. The kinematic and dynamic properties of snakelike robots are captured naturally using a continuum backbone curve equipped with a naturally evolving set of reference frames, stiffness properties, and mass density. When the snakelike robot has a continuum architecture, the backbone curve corresponds with the physical device itself. Interestingly, these same modeling ideas can be used to describe conformational shapes of DNA molecules and filamentous protein structures in solution and in cells. This paper reviews several classes of snakelike robots: (1) hyper-redundant manipulators guided by backbone curves; (2) flexible steerable needles; and (3) concentric tube continuum robots. It is then shown how the same mathematical modeling methods used in these robotics contexts can be used to model molecules such as DNA. All of these problems are treated in the context of a common mathematical framework based on the differential geometry of curves, continuum mechanics, and variational calculus. Both coordinate-dependent Euler-Lagrange formulations and coordinate-free Euler-Poincaré approaches are reviewed. PMID:27030786

Conformational Modeling of Continuum Structures in Robotics and Structural Biology: A Review.

PubMed

Chirikjian, G S

Hyper-redundant (or snakelike) manipulators have many more degrees of freedom than are required to position and orient an object in space. They have been employed in a variety of applications ranging from search-and-rescue to minimally invasive surgical procedures, and recently they even have been proposed as solutions to problems in maintaining civil infrastructure and the repair of satellites. The kinematic and dynamic properties of snakelike robots are captured naturally using a continuum backbone curve equipped with a naturally evolving set of reference frames, stiffness properties, and mass density. When the snakelike robot has a continuum architecture, the backbone curve corresponds with the physical device itself. Interestingly, these same modeling ideas can be used to describe conformational shapes of DNA molecules and filamentous protein structures in solution and in cells. This paper reviews several classes of snakelike robots: (1) hyper-redundant manipulators guided by backbone curves; (2) flexible steerable needles; and (3) concentric tube continuum robots. It is then shown how the same mathematical modeling methods used in these robotics contexts can be used to model molecules such as DNA. All of these problems are treated in the context of a common mathematical framework based on the differential geometry of curves, continuum mechanics, and variational calculus. Both coordinate-dependent Euler-Lagrange formulations and coordinate-free Euler-Poincaré approaches are reviewed.

Solid-phase extraction and separation procedure for trace aluminum in water samples and its determination by high-resolution continuum source flame atomic absorption spectrometry (HR-CS FAAS).

PubMed

Ciftci, Harun; Er, Cigdem

2013-03-01

In the present study, a separation/preconcentration procedure for determination of aluminum in water samples has been developed by using a new atomic absorption spectrometer concept with a high-intensity xenon short-arc lamp as continuum radiation source, a high-resolution double-echelle monochromator, and a charge-coupled device array detector. Sample solution pH, sample volume, flow rate of sample solution, volume, and concentration of eluent for solid-phase extraction of Al chelates with 4-[(dicyanomethyl)diazenyl] benzoic acid on polymeric resin (Duolite XAD-761) have been investigated. The adsorbed aluminum on resin was eluted with 5 mL of 2 mol L(-1) HNO(3) and its concentration was determined by high-resolution continuum source flame atomic absorption spectrometry (HR-CS FAAS). Under the optimal conditions, limit of detection obtained with HR-CS FAAS and Line Source FAAS (LS-FAAS) were 0.49 μg L(-1) and 3.91 μg L(-1), respectively. The accuracy of the procedure was confirmed by analyzing certified materials (NIST SRM 1643e, Trace elements in water) and spiked real samples. The developed procedure was successfully applied to water samples.

Highly excited and exotic meson spectrum from dynamical lattice QCD.

PubMed

Dudek, Jozef J; Edwards, Robert G; Peardon, Michael J; Richards, David G; Thomas, Christopher E

2009-12-31

Using a new quark-field construction algorithm and a large variational basis of operators, we extract a highly excited isovector meson spectrum on dynamical anisotropic lattices. We show how carefully constructed operators can be used to reliably identify the continuum spin of extracted states, overcoming the reduced cubic symmetry of the lattice. Using this method we extract, with confidence, excited states, states with exotic quantum numbers (0+-, 1-+, and 2+-), and states of high spin, including, for the first time in lattice QCD, spin-four states.

Psychometric Examination of an Inventory of Self-Efficacy for the Holland Vocational Themes Using Item Response Theory

ERIC Educational Resources Information Center

Turner, Brandon M.; Betz, Nancy E.; Edwards, Michael C.; Borgen, Fred H.

2010-01-01

The psychometric properties of measures of self-efficacy for the six themes of Holland's theory were examined using item response theory. Item and scale quality were compared across levels of the trait continuum; all the scales were highly reliable but differentiated better at some levels of the continuum than others. Applications for adaptive…

Unbound states in quantum heterostructures

PubMed Central

Bastard, G

2006-01-01

We report in this review on the electronic continuum states of semiconductor Quantum Wells and Quantum Dots and highlight the decisive part played by the virtual bound states in the optical properties of these structures. The two particles continuum states of Quantum Dots control the decoherence of the excited electron – hole states. The part played by Auger scattering in Quantum Dots is also discussed.

A search for precursors of ultracompact H II regions in a sample of luminous IRAS sources. III. Circumstellar dust properties

NASA Technical Reports Server (NTRS)

Molinari, S.; Brand, J.; Cesaroni, R.; Palla, F.

2000-01-01

The James Clerk Maxwell Telescope has been used to obtain submillimeter and millimeter continuum photometry of a sample of 30 IRAS sources previously studied in molecular lines and centimeter radio continuum. All the sources have IRAS colours typical of very young stellar objects (YSOs) and are associated with dense gas.

Continuum modes of nonlocal field theories

NASA Astrophysics Data System (ADS)

Saravani, Mehdi

2018-04-01

We study a class of nonlocal Lorentzian quantum field theories, where the d’Alembertian operator \\Box is replaced by a non-analytic function of the d’Alembertian, f(\\Box) . This is inspired by the causal set program where such an evolution arises as the continuum limit of a wave equation on causal sets. The spectrum of these theories contains a continuum of massive excitations. This is perhaps the most important feature which leads to distinct/interesting phenomenology. In this paper, we study properties of the continuum massive modes in depth. We derive the path integral formulation of these theories. Meanwhile, this derivation introduces a dual picture in terms of local fields which clearly shows how continuum massive modes of the nonlocal field interact. As an example, we calculate the leading order modification to the Casimir force of a pair of parallel planes. The dual picture formulation opens the way for future developments in the study of nonlocal field theories using tools already available in local quantum field theories.

The Dust and [C II] Morphologies of Redshift ∼4.5 Sub-millimeter Galaxies at ∼200 pc Resolution: The Absence of Large Clumps in the Interstellar Medium at High-redshift

NASA Astrophysics Data System (ADS)

Gullberg, B.; Swinbank, A. M.; Smail, I.; Biggs, A. D.; Bertoldi, F.; De Breuck, C.; Chapman, S. C.; Chen, C.-C.; Cooke, E. A.; Coppin, K. E. K.; Cox, P.; Dannerbauer, H.; Dunlop, J. S.; Edge, A. C.; Farrah, D.; Geach, J. E.; Greve, T. R.; Hodge, J.; Ibar, E.; Ivison, R. J.; Karim, A.; Schinnerer, E.; Scott, D.; Simpson, J. M.; Stach, S. M.; Thomson, A. P.; van der Werf, P.; Walter, F.; Wardlow, J. L.; Weiss, A.

2018-05-01

We present deep, high-resolution (0.″03, 200 pc) ALMA Band 7 observations covering the dust continuum and [C II] λ157.7 μm emission in four z ∼ 4.4–4.8 sub-millimeter galaxies (SMGs) selected from the ALESS and AS2UDS surveys. The data show that the rest-frame 160 μm (observed 345 GHz) dust emission is consistent with smooth morphologies on kpc scales for three of the sources. One source, UDS 47.0, displays apparent substructure, but this is also consistent with a smooth morphology—as indicated by simulations showing that smooth exponential disks can appear clumpy when observed at the high angular resolution (0.″03) and depth of these observations ({σ }345{GHz}∼ 27{--}47 μJy beam‑1). The four SMGs are bright [C II] emitters. We extract [C II] spectra from the high-resolution data, and recover ∼20%–100% of the [C II] flux and ∼40%–80% of the dust continuum emission, compared to the previous lower-resolution observations. When tapered to 0.″2 resolution, our maps recover ∼80%–100% of the continuum emission, indicating that ∼60% of the emission is resolved out on ∼200 pc scales. We find that the [C II] emission in high-redshift galaxies is more spatially extended than the rest-frame 160 μm dust continuum by a factor of 1.6 ± 0.4. By considering the {L}[{{C}{{II}}]}/{L}FIR} ratio as a function of the star formation rate surface density ({{{Σ }}}SFR}), we revisit the [C II] deficit and suggest that the decline in the {L}[{{C}{{II}}]}/{L}FIR} ratio as a function of {{{Σ }}}SFR} is consistent with local processes. We also explore the physical drivers that may be responsible for these trends and can give rise to the properties found in the densest regions of SMGs.

Differential porosimetry and permeametry for random porous media.

PubMed

Hilfer, R; Lemmer, A

2015-07-01

Accurate determination of geometrical and physical properties of natural porous materials is notoriously difficult. Continuum multiscale modeling has provided carefully calibrated realistic microstructure models of reservoir rocks with floating point accuracy. Previous measurements using synthetic microcomputed tomography (μ-CT) were based on extrapolation of resolution-dependent properties for discrete digitized approximations of the continuum microstructure. This paper reports continuum measurements of volume and specific surface with full floating point precision. It also corrects an incomplete description of rotations in earlier publications. More importantly, the methods of differential permeametry and differential porosimetry are introduced as precision tools. The continuum microstructure chosen to exemplify the methods is a homogeneous, carefully calibrated and characterized model for Fontainebleau sandstone. The sample has been publicly available since 2010 on the worldwide web as a benchmark for methodical studies of correlated random media. High-precision porosimetry gives the volume and internal surface area of the sample with floating point accuracy. Continuum results with floating point precision are compared to discrete approximations. Differential porosities and differential surface area densities allow geometrical fluctuations to be discriminated from discretization effects and numerical noise. Differential porosimetry and Fourier analysis reveal subtle periodic correlations. The findings uncover small oscillatory correlations with a period of roughly 850μm, thus implying that the sample is not strictly stationary. The correlations are attributed to the deposition algorithm that was used to ensure the grain overlap constraint. Differential permeabilities are introduced and studied. Differential porosities and permeabilities provide scale-dependent information on geometry fluctuations, thereby allowing quantitative error estimates.

Transport Phenomena of Water in Molecular Fluidic Channels

PubMed Central

Vo, Truong Quoc; Kim, BoHung

2016-01-01

In molecular-level fluidic transport, where the discrete characteristics of a molecular system are not negligible (in contrast to a continuum description), the response of the molecular water system might still be similar to the continuum description if the time and ensemble averages satisfy the ergodic hypothesis and the scale of the average is enough to recover the classical thermodynamic properties. However, even in such cases, the continuum description breaks down on the material interfaces. In short, molecular-level liquid flows exhibit substantially different physics from classical fluid transport theories because of (i) the interface/surface force field, (ii) thermal/velocity slip, (iii) the discreteness of fluid molecules at the interface and (iv) local viscosity. Therefore, in this study, we present the result of our investigations using molecular dynamics (MD) simulations with continuum-based energy equations and check the validity and limitations of the continuum hypothesis. Our study shows that when the continuum description is subjected to the proper treatment of the interface effects via modified boundary conditions, the so-called continuum-based modified-analytical solutions, they can adequately predict nanoscale fluid transport phenomena. The findings in this work have broad effects in overcoming current limitations in modeling/predicting the fluid behaviors of molecular fluidic devices. PMID:27650138

Using DNA-labelled nano- and microparticles to track particle transport in the environment

NASA Astrophysics Data System (ADS)

McNew, Coy; Wang, Chaozi; Dahlke, Helen; Lyon, Steve; Walter, Todd

2017-04-01

By utilizing bio-molecular nanotechnology developed for nano-medicines and drug delivery, we are able to produce DNA-labelled nano- and microparticle tracers for use in a myriad of environmental systems. The use of custom sequenced DNA allows for the fabrication of an enormous number of uniquely labelled tracers with identical transport properties (approximately 1.61 x 1060 unique sequences), each independently quantifiable, that can be applied simultaneously in any hydrologic system. By controlling the fabrication procedure to produce particles of custom size and charge, we are able to tag each size-charge combination uniquely in order to directly probe the effect of these variables on the transport properties of the particles. Here we present our methods for fabrication, extraction, and analysis of the DNA nano- and microparticle tracers, along with results from several successful applications of the tracers, including transport and retention analysis at the lab, continuum, and field scales. To date, our DNA-labelled nano- and microparticle tracers have proved useful in surface and subsurface water applications, soil retention, and even subglacial flow pathways. The range of potential applications continue to prove nearly limitless.

Plume flowfield analysis of the shuttle primary Reaction Control System (RCS) rocket engine

NASA Technical Reports Server (NTRS)

Hueser, J. E.; Brock, F. J.

1990-01-01

A solution was generated for the physical properties of the Shuttle RCS 4000 N (900 lb) rocket engine exhaust plume flowfield. The modeled exhaust gas consists of the five most abundant molecular species, H2, N2, H2O, CO, and CO2. The solution is for a bare RCS engine firing into a vacuum; the only additional hardware surface in the flowfield is a cylinder (=engine mount) which coincides with the nozzle lip outer corner at X = 0, extends to the flowfield outer boundary at X = -137 m and is coaxial with the negative symmetry axis. Continuum gas dynamic methods and the Direct Simulation Monte Carlo (DSMC) method were combined in an iterative procedure to produce a selfconsistent solution. Continuum methods were used in the RCS nozzle and in the plume as far as the P = 0.03 breakdown contour; the DSMC method was used downstream of this continuum flow boundary. The DSMC flowfield extends beyond 100 m from the nozzle exit and thus the solution includes the farfield flow properties, but substantial information is developed on lip flow dynamics and thus results are also presented for the flow properties in the vicinity of the nozzle lip.

Determination of sulfur in human hair using high resolution continuum source graphite furnace molecular absorption spectrometry and its correlation with total protein and albumin

NASA Astrophysics Data System (ADS)

Ozbek, Nil; Baysal, Asli

2017-04-01

Human hair is a valuable contributor for biological monitoring. It is an information storage point to assess the effects of environmental, nutritional or occupational sources on the body. Human proteins, amino acids or other compounds are among the key components to find the sources of different effects or disorders in the human body. Sulfur is a significant one of these compounds, and it has great affinity to some metals and compounds. This property of the sulfur affects the human health positively or negatively. In this manuscript, sulfur was determined in hair samples of autistic and age-match control group children via molecular absorption of CS using a high-resolution continuum source graphite furnace atomic absorption spectrometer. For this purpose, hair samples were appropriately washed and dried at 75 °C. Then samples were dissolved in microwave digestion using HNO3 for sulfur determination. Extraction was performed with HCl hydrolysation by incubation for 24 h at 110 °C for total protein and albumin determination. The validity of the method for the sulfur determination was tested using hair standard reference materials. The results were in the uncertainty limits of the certified values at 95% confidence level. Finally correlation of sulfur levels of autistic children's hair with their total protein and albumin levels were done.

A continuum deformation theory for metal-matrix composites at high temperature

NASA Technical Reports Server (NTRS)

Robinson, D. N.

1987-01-01

A continuum theory is presented for representing the high temperature, time dependent, hereditary deformation behavior of metallic composites that can be idealized as pseudohomogeneous continua with locally definable directional characteristics. Homogenization of textured materials (molecular, granular, fibrous) and applicability of continuum mechanics in structural applications depends on characteristic body dimensions, the severity of gradients (stress, temperature, etc.) in the structure and the relative size of the internal structure (cell size) of the material. The point of view taken here is that the composite is a material in its own right, with its own properties that can be measured and specified for the composite as a whole.

Spin waves, vortices, fermions, and duality in the Ising and Baxter models

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

Ogilvie, M.C.

1981-10-15

Field-theoretic methods are applied to a number of two-dimensional lattice models with Abelian symmetry groups. It is shown, using a vortex+spin-wave decomposition, that the Z/sub p/-Villain models are related to a class of continuum field theories with analogous duality properties. Fermion operators for these field theories are discussed. In the case of the Ising model, the vortices and spin-waves conspire to produce a free, massive Majorana field theory in the continuum limit. The continuum limit of the Baxter model is also studied, and the recent results of Kadanoff and Brown are rederived and extended.

Ly α and UV Sizes of Green Pea Galaxies

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

Yang, Huan; Wang, Junxian; Malhotra, Sangeeta

Green Peas are nearby analogs of high-redshift Ly α -emitting galaxies (LAEs). To probe their Ly α escape, we study the spatial profiles of Ly α and UV continuum emission of 24 Green Pea galaxies using the Cosmic Origins Spectrograph (COS) on the Hubble Space Telescope . We extract the spatial profiles of Ly α emission from their 2D COS spectra, and of the UV continuum from both 2D spectra and NUV images. The Ly α emission shows more extended spatial profiles than the UV continuum, in most Green Peas. The deconvolved full width at half maximum of the Lymore » α spatial profile is about 2–4 times that of the UV continuum, in most cases. Because Green Peas are analogs of high z LAEs, our results suggest that most high- z LAEs probably have larger Ly α sizes than UV sizes. We also compare the spatial profiles of Ly α photons at blueshifted and redshifted velocities in eight Green Peas with sufficient data quality, and find that the blue wing of the Ly α line has a larger spatial extent than the red wing in four Green Peas with comparatively weak blue Ly α line wings. We show that Green Peas and MUSE z = 3–6 LAEs have similar Ly α and UV continuum sizes, which probably suggests that starbursts in both low- z and high- z LAEs drive similar gas outflows illuminated by Ly α light. Five Lyman continuum (LyC) leakers in this sample have similar Ly α to UV continuum size ratios (∼1.4–4.3) to the other Green Peas, indicating that their LyC emissions escape through ionized holes in the interstellar medium.« less

Lyα and UV Sizes of Green Pea Galaxies

NASA Astrophysics Data System (ADS)

Yang, Huan; Malhotra, Sangeeta; Rhoads, James E.; Leitherer, Claus; Wofford, Aida; Jiang, Tianxing; Wang, Junxian

2017-03-01

Green Peas are nearby analogs of high-redshift Lyα-emitting galaxies (LAEs). To probe their Lyα escape, we study the spatial profiles of Lyα and UV continuum emission of 24 Green Pea galaxies using the Cosmic Origins Spectrograph (COS) on the Hubble Space Telescope. We extract the spatial profiles of Lyα emission from their 2D COS spectra, and of the UV continuum from both 2D spectra and NUV images. The Lyα emission shows more extended spatial profiles than the UV continuum, in most Green Peas. The deconvolved full width at half maximum of the Lyα spatial profile is about 2-4 times that of the UV continuum, in most cases. Because Green Peas are analogs of high z LAEs, our results suggest that most high-z LAEs probably have larger Lyα sizes than UV sizes. We also compare the spatial profiles of Lyα photons at blueshifted and redshifted velocities in eight Green Peas with sufficient data quality, and find that the blue wing of the Lyα line has a larger spatial extent than the red wing in four Green Peas with comparatively weak blue Lyα line wings. We show that Green Peas and MUSE z = 3-6 LAEs have similar Lyα and UV continuum sizes, which probably suggests that starbursts in both low-z and high-z LAEs drive similar gas outflows illuminated by Lyα light. Five Lyman continuum (LyC) leakers in this sample have similar Lyα to UV continuum size ratios (˜1.4-4.3) to the other Green Peas, indicating that their LyC emissions escape through ionized holes in the interstellar medium.

Dynamically hot galaxies. I - Structural properties

NASA Technical Reports Server (NTRS)

Bender, Ralf; Burstein, David; Faber, S. M.

1992-01-01

Results are reported from an analysis of the structural properties of dynamically hot galaxies which combines central velocity dispersion, effective surface brightness, and effective radius into a new 3-space (k), in which the axes are parameters that are physically meaningful. Hot galaxies are found to divide into groups in k-space that closely parallel conventional morphological classifications, namely, luminous ellipticals, compacts, bulges, bright dwarfs, and dwarf spheroidals. A major sequence is defined by luminous ellipticals, bulges, and most compacts, which together constitute a smooth continuum in k-space. Several properties vary smoothly with mass along this continuum, including bulge-to-disk ratio, radio properties, rotation, degree of velocity anisotropy, and 'unrelaxed'. A second major sequence is comprised of dwarf ellipticals and dwarf spheroidals. It is suggested that mass loss is a major factor in hot dwarf galaxies, but the dwarf sequence cannot be simply a mass-loss sequence, as it has the wrong direction in k-space.

Multi Texture Analysis of Colorectal Cancer Continuum Using Multispectral Imagery

PubMed Central

Chaddad, Ahmad; Desrosiers, Christian; Bouridane, Ahmed; Toews, Matthew; Hassan, Lama; Tanougast, Camel

2016-01-01

Purpose This paper proposes to characterize the continuum of colorectal cancer (CRC) using multiple texture features extracted from multispectral optical microscopy images. Three types of pathological tissues (PT) are considered: benign hyperplasia, intraepithelial neoplasia and carcinoma. Materials and Methods In the proposed approach, the region of interest containing PT is first extracted from multispectral images using active contour segmentation. This region is then encoded using texture features based on the Laplacian-of-Gaussian (LoG) filter, discrete wavelets (DW) and gray level co-occurrence matrices (GLCM). To assess the significance of textural differences between PT types, a statistical analysis based on the Kruskal-Wallis test is performed. The usefulness of texture features is then evaluated quantitatively in terms of their ability to predict PT types using various classifier models. Results Preliminary results show significant texture differences between PT types, for all texture features (p-value < 0.01). Individually, GLCM texture features outperform LoG and DW features in terms of PT type prediction. However, a higher performance can be achieved by combining all texture features, resulting in a mean classification accuracy of 98.92%, sensitivity of 98.12%, and specificity of 99.67%. Conclusions These results demonstrate the efficiency and effectiveness of combining multiple texture features for characterizing the continuum of CRC and discriminating between pathological tissues in multispectral images. PMID:26901134

Constitutive Modeling of Nanotube-Reinforced Polymer Composites

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Gates, T. S.; Wise, K. E.; Park, C.; Siochi, E. J.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

In this study, a technique is presented for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Because the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be considered continuous, and the bulk mechanical properties can no longer be determined through traditional micromechanical approaches that are formulated by using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method. The effective fiber serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube lengths, concentrations, and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/polyimide composite systems.

Digital filtering of plume emission spectra

NASA Technical Reports Server (NTRS)

Madzsar, George C.

1990-01-01

Fourier transformation and digital filtering techniques were used to separate the superpositioned spectral phenomena observed in the exhaust plumes of liquid propellant rocket engines. Space shuttle main engine (SSME) spectral data were used to show that extraction of spectral lines in the spatial frequency domain does not introduce error, and extraction of the background continuum introduces only minimal error. Error introduced during band extraction could not be quantified due to poor spectrometer resolution. Based on the atomic and molecular species found in the SSME plume, it was determined that spectrometer resolution must be 0.03 nm for SSME plume spectral monitoring.

Elastic dipoles of point defects from atomistic simulations

NASA Astrophysics Data System (ADS)

Varvenne, Céline; Clouet, Emmanuel

2017-12-01

The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.

Uncertainties in extracted parameters of a Gaussian emission line profile with continuum background.

PubMed

Minin, Serge; Kamalabadi, Farzad

2009-12-20

We derive analytical equations for uncertainties in parameters extracted by nonlinear least-squares fitting of a Gaussian emission function with an unknown continuum background component in the presence of additive white Gaussian noise. The derivation is based on the inversion of the full curvature matrix (equivalent to Fisher information matrix) of the least-squares error, chi(2), in a four-variable fitting parameter space. The derived uncertainty formulas (equivalent to Cramer-Rao error bounds) are found to be in good agreement with the numerically computed uncertainties from a large ensemble of simulated measurements. The derived formulas can be used for estimating minimum achievable errors for a given signal-to-noise ratio and for investigating some aspects of measurement setup trade-offs and optimization. While the intended application is Fabry-Perot spectroscopy for wind and temperature measurements in the upper atmosphere, the derivation is generic and applicable to other spectroscopy problems with a Gaussian line shape.

Leaky electronic states for photovoltaic photodetectors based on asymmetric superlattices

NASA Astrophysics Data System (ADS)

Penello, Germano Maioli; Pereira, Pedro Henrique; Pires, Mauricio Pamplona; Sivco, Deborah; Gmachl, Claire; Souza, Patricia Lustoza

2018-01-01

The concept of leaky electronic states in the continuum is used to achieve room temperature operation of photovoltaic superlattice infrared photodetectors. A structural asymmetric InGaAs/InAlAs potential profile is designed to create states in the continuum with the preferential direction for electron extraction and, consequently, to obtain photovoltaic operation at room temperature. Due to the photovoltaic operation and virtual increase in the bandoffset, the device presents both low dark current and low noise. The Johnson noise limited specific detectivity reaches values as high as 1.4 × 1011 Jones at 80 K. At 300 K, the detectivity obtained is 7.0 × 105 Jones.

Multi-Scale Modeling of Liquid Phase Sintering Affected by Gravity: Preliminary Analysis

NASA Technical Reports Server (NTRS)

Olevsky, Eugene; German, Randall M.

2012-01-01

A multi-scale simulation concept taking into account impact of gravity on liquid phase sintering is described. The gravity influence can be included at both the micro- and macro-scales. At the micro-scale, the diffusion mass-transport is directionally modified in the framework of kinetic Monte-Carlo simulations to include the impact of gravity. The micro-scale simulations can provide the values of the constitutive parameters for macroscopic sintering simulations. At the macro-scale, we are attempting to embed a continuum model of sintering into a finite-element framework that includes the gravity forces and substrate friction. If successful, the finite elements analysis will enable predictions relevant to space-based processing, including size and shape and property predictions. Model experiments are underway to support the models via extraction of viscosity moduli versus composition, particle size, heating rate, temperature and time.

Continuous Shape Estimation of Continuum Robots Using X-ray Images

PubMed Central

Lobaton, Edgar J.; Fu, Jinghua; Torres, Luis G.; Alterovitz, Ron

2015-01-01

We present a new method for continuously and accurately estimating the shape of a continuum robot during a medical procedure using a small number of X-ray projection images (e.g., radiographs or fluoroscopy images). Continuum robots have curvilinear structure, enabling them to maneuver through constrained spaces by bending around obstacles. Accurately estimating the robot’s shape continuously over time is crucial for the success of procedures that require avoidance of anatomical obstacles and sensitive tissues. Online shape estimation of a continuum robot is complicated by uncertainty in its kinematic model, movement of the robot during the procedure, noise in X-ray images, and the clinical need to minimize the number of X-ray images acquired. Our new method integrates kinematics models of the robot with data extracted from an optimally selected set of X-ray projection images. Our method represents the shape of the continuum robot over time as a deformable surface which can be described as a linear combination of time and space basis functions. We take advantage of probabilistic priors and numeric optimization to select optimal camera configurations, thus minimizing the expected shape estimation error. We evaluate our method using simulated concentric tube robot procedures and demonstrate that obtaining between 3 and 10 images from viewpoints selected by our method enables online shape estimation with errors significantly lower than using the kinematic model alone or using randomly spaced viewpoints. PMID:26279960

Continuous Shape Estimation of Continuum Robots Using X-ray Images.

PubMed

Lobaton, Edgar J; Fu, Jinghua; Torres, Luis G; Alterovitz, Ron

2013-05-06

We present a new method for continuously and accurately estimating the shape of a continuum robot during a medical procedure using a small number of X-ray projection images (e.g., radiographs or fluoroscopy images). Continuum robots have curvilinear structure, enabling them to maneuver through constrained spaces by bending around obstacles. Accurately estimating the robot's shape continuously over time is crucial for the success of procedures that require avoidance of anatomical obstacles and sensitive tissues. Online shape estimation of a continuum robot is complicated by uncertainty in its kinematic model, movement of the robot during the procedure, noise in X-ray images, and the clinical need to minimize the number of X-ray images acquired. Our new method integrates kinematics models of the robot with data extracted from an optimally selected set of X-ray projection images. Our method represents the shape of the continuum robot over time as a deformable surface which can be described as a linear combination of time and space basis functions. We take advantage of probabilistic priors and numeric optimization to select optimal camera configurations, thus minimizing the expected shape estimation error. We evaluate our method using simulated concentric tube robot procedures and demonstrate that obtaining between 3 and 10 images from viewpoints selected by our method enables online shape estimation with errors significantly lower than using the kinematic model alone or using randomly spaced viewpoints.

Multiscale Modeling of Intergranular Fracture in Aluminum: Constitutive Relation For Interface Debonding

NASA Technical Reports Server (NTRS)

Yamakov, V.; Saether, E.; Glaessgen, E. H.

2008-01-01

Intergranular fracture is a dominant mode of failure in ultrafine grained materials. In the present study, the atomistic mechanisms of grain-boundary debonding during intergranular fracture in aluminum are modeled using a coupled molecular dynamics finite element simulation. Using a statistical mechanics approach, a cohesive-zone law in the form of a traction-displacement constitutive relationship, characterizing the load transfer across the plane of a growing edge crack, is extracted from atomistic simulations and then recast in a form suitable for inclusion within a continuum finite element model. The cohesive-zone law derived by the presented technique is free of finite size effects and is statistically representative for describing the interfacial debonding of a grain boundary (GB) interface examined at atomic length scales. By incorporating the cohesive-zone law in cohesive-zone finite elements, the debonding of a GB interface can be simulated in a coupled continuum-atomistic model, in which a crack starts in the continuum environment, smoothly penetrates the continuum-atomistic interface, and continues its propagation in the atomistic environment. This study is a step towards relating atomistically derived decohesion laws to macroscopic predictions of fracture and constructing multiscale models for nanocrystalline and ultrafine grained materials.

Micropolar continuum modelling of bi-dimensional tetrachiral lattices

PubMed Central

Chen, Y.; Liu, X. N.; Hu, G. K.; Sun, Q. P.; Zheng, Q. S.

2014-01-01

The in-plane behaviour of tetrachiral lattices should be characterized by bi-dimensional orthotropic material owing to the existence of two orthogonal axes of rotational symmetry. Moreover, the constitutive model must also represent the chirality inherent in the lattices. To this end, a bi-dimensional orthotropic chiral micropolar model is developed based on the theory of irreducible orthogonal tensor decomposition. The obtained constitutive tensors display a hierarchy structure depending on the symmetry of the underlying microstructure. Eight additional material constants, in addition to five for the hemitropic case, are introduced to characterize the anisotropy under Z2 invariance. The developed continuum model is then applied to a tetrachiral lattice, and the material constants of the continuum model are analytically derived by a homogenization process. By comparing with numerical simulations for the discrete lattice, it is found that the proposed continuum model can correctly characterize the static and wave properties of the tetrachiral lattice. PMID:24808754

Coastal resource complexes of South India: options for sustainable management.

PubMed

Damodaran, A

2006-04-01

India's coastal resource complexes were traditionally characterized by a continuum of 'common property resources' or 'commons' that stretched from the shores to the seas. The continuum aided the existence of sustainable livelihood systems for local communities. Today, fragmented policy approaches and economic welfare schemes have caused the disintegration of community control over the continuum. As a consequence, livelihood systems of local communities have declined. The introduction of coastal management guidelines in the 1990s has exacerbated the situation. With reference to a coastal village located in the State of Kerala in South West India, the paper describes the trajectory of unsustainable change that has taken place in the coastal area resource complexes of the country. The paper argues for restoring the continuum of commons in the study area through community driven systems of natural resource management that are based on networks of nested institutions.

Continuum Mean-Field Theories for Molecular Fluids, and Their Validity at the Nanoscale

NASA Astrophysics Data System (ADS)

Hanna, C. B.; Peyronel, F.; MacDougall, C.; Marangoni, A.; Pink, D. A.; AFMNet-NCE Collaboration

2011-03-01

We present a calculation of the physical properties of solid triglyceride particles dispersed in an oil phase, using atomic- scale molecular dynamics. Significant equilibrium density oscillations in the oil appear when the interparticle distance, d , becomes sufficiently small, with a global minimum in the free energy found at d ~ 1.4 nm. We compare the simulation values of the Hamaker coefficient with those of models which assume that the oil is a homogeneous continuum: (i) Lifshitz theory, (ii) the Fractal Model, and (iii) a Lennard-Jones 6-12 potential model. The last-named yields a minimum in the free energy at d ~ 0.26 nm. We conclude that, at the nanoscale, continuum Lifshitz theory and other continuum mean-field theories based on the assumption of homogeneous fluid density can lead to erroneous conclusions. CBH supported by NSF DMR-0906618. DAP supported by NSERC. This work supported by AFMNet-NCE.

Mirrored continuum and molecular scale simulations of the ignition of high-pressure phases of RDX

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

Lee, Kibaek; Stewart, D. Scott, E-mail: santc@illinois.edu, E-mail: dss@illinois.edu; Joshi, Kaushik

2016-05-14

We present a mirrored atomistic and continuum framework that is used to describe the ignition of energetic materials, and a high-pressure phase of RDX in particular. The continuum formulation uses meaningful averages of thermodynamic properties obtained from the atomistic simulation and a simplification of enormously complex reaction kinetics. In particular, components are identified based on molecular weight bin averages and our methodology assumes that both the averaged atomistic and continuum simulations are represented on the same time and length scales. The atomistic simulations of thermally initiated ignition of RDX are performed using reactive molecular dynamics (RMD). The continuum model ismore » based on multi-component thermodynamics and uses a kinetics scheme that describes observed chemical changes of the averaged atomistic simulations. Thus the mirrored continuum simulations mimic the rapid change in pressure, temperature, and average molecular weight of species in the reactive mixture. This mirroring enables a new technique to simplify the chemistry obtained from reactive MD simulations while retaining the observed features and spatial and temporal scales from both the RMD and continuum model. The primary benefit of this approach is a potentially powerful, but familiar way to interpret the atomistic simulations and understand the chemical events and reaction rates. The approach is quite general and thus can provide a way to model chemistry based on atomistic simulations and extend the reach of those simulations.« less

Simulation and theory of spontaneous TAE frequency sweeping

NASA Astrophysics Data System (ADS)

Wang, Ge; Berk, H. L.

2012-09-01

A simulation model, based on the linear tip model of Rosenbluth, Berk and Van Dam (RBV), is developed to study frequency sweeping of toroidal Alfvén eigenmodes (TAEs). The time response of the background wave in the RBV model is given by a Volterra integral equation. This model captures the properties of TAE waves both in the gap and in the continuum. The simulation shows that phase space structures form spontaneously at frequencies close to the linearly predicted frequency, due to resonant particle-wave interactions and background dissipation. The frequency sweeping signals are found to chirp towards the upper and lower continua. However, the chirping signals penetrate only the lower continuum, whereupon the frequency chirps and mode amplitude increases in synchronism to produce an explosive solution. An adiabatic theory describing the evolution of a chirping signal is developed which replicates the chirping dynamics of the simulation in the lower continuum. This theory predicts that a decaying chirping signal will terminate at the upper continuum though in the numerical simulation the hole disintegrates before the upper continuum is reached.

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

Hu, B.; Menten, K. M.; Wu, Y.

We conducted Very Large Array C-configuration observations to measure positions and luminosities of Galactic Class II 6.7 GHz methanol masers and their associated ultra-compact H ii regions. The spectral resolution was 3.90625 kHz and the continuum sensitivity reached 45 μ Jy beam{sup −1}. We mapped 372 methanol masers with peak flux densities of more than 2 Jy selected from the literature. Absolute positions have nominal uncertainties of 0.″3. In this first paper on the data analysis, we present three catalogs; the first gives information on the strongest feature of 367 methanol maser sources, and the second provides information on allmore » detected maser spots. The third catalog presents derived data of the 127 radio continuum counterparts associated with maser sources. Our detection rate of radio continuum counterparts toward methanol masers is approximately one-third. Our catalogs list properties including distance, flux density, luminosity, and the distribution in the Galactic plane. We found no significant relationship between luminosities of masers and their associated radio continuum counterparts, however, the detection rate of radio continuum emission toward maser sources increases statistically with the maser luminosities.« less

Characterization of low-temperature properties of plant-produced rap mixtures in the Northeast

NASA Astrophysics Data System (ADS)

Medeiros, Marcelo S., Junior

The dissertation outlined herein results from a Federal Highway Administration sponsored project intended to investigate the impacts of high percentages of RAP material in the performance of pavements under cold climate conditions. It is comprised of two main sections that were incorporated into the body of this dissertation as Part I and Part II. In Part I a reduced testing framework for analysis of HMA mixes was proposed to replace the IDT creep compliance and strength testing by dynamic modulus and fatigue tests performed on an AMPT device. A continuum damage model that incorporates the nonlinear constitutive behavior of the HMA mixtures was also successfully implemented and validated. Mixtures with varying percentages of reclaimed material (RAP) ranging from 0 to 40% were used in this research effort in order to verify the applicability of the proposed methodology to RAP mixtures. Part II is concerned with evaluating the effects of various binder grades on the properties of plant-produced mixtures with various percentages of RAP. The effects of RAP on mechanical and rheological properties of mixtures and extracted binders were studied in order to identify some of the deficiencies in the current production methodologies. The results of this dissertation will help practitioners to identify optimal RAP usage from a material property perspective. It also establishes some guidelines and best practices for the use of higher RAP percentages in HMA.

Ash Dispersal in Planetary Atmospheres: Continuum vs. Non-continuum Effects

NASA Astrophysics Data System (ADS)

Fagents, S. A.; Baloga, S. M.; Glaze, L. S.

2013-12-01

The dispersal of ash from a volcanic vent on any given planet is dictated by particle properties (density, shape, and size distribution), the intensity of the eruptive source, and the characteristics of the planetary environment (atmospheric structure, wind field, and gravity) into which the ash is erupted. Relating observations of potential pyroclastic deposits to source locations and eruption conditions requires a detailed quantitative understanding of the settling rates of individual particles under changing ambient conditions. For atmospheres that are well described by continuum mechanics, the conventional Newtonian description of particle motion allows particle settling velocities to be related to particle characteristics via a drag coefficient. However, under rarefied atmospheric conditions (i.e., on Mars and at high altitude on Earth), non-continuum effects become important for ash-sized particles, and an equation of motion based on statistical mechanics is required for calculating particle motion. We have developed a rigorous new treatment of particle settling under variable atmospheric conditions and applied it to Earth and Mars. When non-continuum effects are important (as dictated by the mean free path of atmospheric gas relative to the particle size), fall velocities are greater than those calculated by continuum mechanics. When continuum conditions (i.e., higher atmospheric densities) are reached during descent, our model switches to a conventional formulation that determines the appropriate drag coefficient as the particle transits varying atmospheric properties. The variation of settling velocity with altitude allows computation of particle trajectories, fall durations and downwind dispersal. Our theoretical and numerical analyses show that several key, competing factors strongly influence the downwind trajectories of ash particles and the extents of the resulting deposits. These factors include: the shape of the particles (non-spherical particles fall more slowly than spherical particle shapes commonly adopted in settling models); the formation of particle aggregates, which enhances settling rates; and the lagging of particle motion behind the ambient wind field, which results in less widely dispersed deposits. Above all, any particles experiencing non-continuum effects settle faster and are less widely dispersed than particles falling in an entirely continuum regime. Our model results demonstrate the complex interplay of these factors in the Martian environment, and our approach provides a basis for relating deposits observed in planetary datasets to candidate volcanic sources and eruption conditions. This allows for a critical reassessment of the potential for explosive volcanism to contribute to extremely widespread, fine-grained, layered deposits such as the Medusae Fossae Formation.

Effects of Increased Loading on In Vivo Tendon Properties: A Systematic Review

PubMed Central

WIESINGER, HANS-PETER; KÖSTERS, ALEXANDER; MÜLLER, ERICH; SEYNNES, OLIVIER R.

2015-01-01

ABSTRACT Introduction In vivo measurements have been used in the past two decades to investigate the effects of increased loading on tendon properties, yet the current understanding of tendon macroscopic changes to training is rather fragmented, limited to reports of tendon stiffening, supported by changes in material properties and/or tendon hypertrophy. The main aim of this review was to analyze the existing literature to gain further insights into tendon adaptations by extracting patterns of dose-response and time-course. Methods PubMed/Medline, SPORTDiscus, and Google Scholar databases were searched for studies examining the effect of training on material, mechanical, and morphological properties via longitudinal or cross-sectional designs. Results Thirty-five of 6440 peer-reviewed articles met the inclusion criteria. The key findings were i) the confirmation of a nearly systematic adaptation of tendon tissue to training, ii) the important variability in the observed changes in tendon properties between and within studies, and iii) the absence of a consistent incremental pattern regarding the dose-response or the time-course relation of tendon adaptation within the first months of training. However, long-term (years) training was associated with a larger tendon cross-sectional area, without any evidence of differences in material properties. Our analysis also highlighted several gaps in the existing literature, which may be addressed in future research. Conclusions In line with some cross-species observations about tendon design, tendon cross-sectional area allegedly constitutes the ultimate adjusting parameter to increased loading. We propose here a theoretical model placing tendon hypertrophy and adjustments in material properties as parts of the same adaptive continuum. PMID:25563908

Applications of Artificial Neural Networks in Structural Engineering with Emphasis on Continuum Models

NASA Technical Reports Server (NTRS)

Kapania, Rakesh K.; Liu, Youhua

1998-01-01

The use of continuum models for the analysis of discrete built-up complex aerospace structures is an attractive idea especially at the conceptual and preliminary design stages. But the diversity of available continuum models and hard-to-use qualities of these models have prevented them from finding wide applications. In this regard, Artificial Neural Networks (ANN or NN) may have a great potential as these networks are universal approximators that can realize any continuous mapping, and can provide general mechanisms for building models from data whose input-output relationship can be highly nonlinear. The ultimate aim of the present work is to be able to build high fidelity continuum models for complex aerospace structures using the ANN. As a first step, the concepts and features of ANN are familiarized through the MATLAB NN Toolbox by simulating some representative mapping examples, including some problems in structural engineering. Then some further aspects and lessons learned about the NN training are discussed, including the performances of Feed-Forward and Radial Basis Function NN when dealing with noise-polluted data and the technique of cross-validation. Finally, as an example of using NN in continuum models, a lattice structure with repeating cells is represented by a continuum beam whose properties are provided by neural networks.

On the ππ continuum in the nucleon form factors and the proton radius puzzle

NASA Astrophysics Data System (ADS)

Hoferichter, M.; Kubis, B.; Ruiz de Elvira, J.; Hammer, H.-W.; Meißner, U.-G.

2016-11-01

We present an improved determination of the ππ continuum contribution to the isovector spectral functions of the nucleon electromagnetic form factors. Our analysis includes the most up-to-date results for the ππ→bar{N} N partial waves extracted from Roy-Steiner equations, consistent input for the pion vector form factor, and a thorough discussion of isospin-violating effects and uncertainty estimates. As an application, we consider the ππ contribution to the isovector electric and magnetic radii by means of sum rules, which, in combination with the accurately known neutron electric radius, are found to slightly prefer a small proton charge radius.

Gamma rays from active galactic nuclei

NASA Technical Reports Server (NTRS)

Kazanas, Demosthenes

1990-01-01

The general properties of Active Galactic Nuclei (AGN) and quasars are reviewed with emphasis on their continuum spectral emission. Two general classes of models for the continuum are outlined and critically reviewed in view of the impending GRO (Gamma Ray Observatory) launch and observations. The importance of GRO in distinguishing between these models and in general in furthering the understanding of AGN is discussed. The very broad terms the status of the current understanding of AGN are discussed.

Hybrid continuum-coarse-grained modeling of erythrocytes

NASA Astrophysics Data System (ADS)

Lyu, Jinming; Chen, Paul G.; Boedec, Gwenn; Leonetti, Marc; Jaeger, Marc

2018-06-01

The red blood cell (RBC) membrane is a composite structure, consisting of a phospholipid bilayer and an underlying membrane-associated cytoskeleton. Both continuum and particle-based coarse-grained RBC models make use of a set of vertices connected by edges to represent the RBC membrane, which can be seen as a triangular surface mesh for the former and a spring network for the latter. Here, we present a modeling approach combining an existing continuum vesicle model with a coarse-grained model for the cytoskeleton. Compared to other two-component approaches, our method relies on only one mesh, representing the cytoskeleton, whose velocity in the tangential direction of the membrane may be different from that of the lipid bilayer. The finitely extensible nonlinear elastic (FENE) spring force law in combination with a repulsive force defined as a power function (POW), called FENE-POW, is used to describe the elastic properties of the RBC membrane. The mechanical interaction between the lipid bilayer and the cytoskeleton is explicitly computed and incorporated into the vesicle model. Our model includes the fundamental mechanical properties of the RBC membrane, namely fluidity and bending rigidity of the lipid bilayer, and shear elasticity of the cytoskeleton while maintaining surface-area and volume conservation constraint. We present three simulation examples to demonstrate the effectiveness of this hybrid continuum-coarse-grained model for the study of RBCs in fluid flows.

Classical continuum theory limits to determine the size-dependency of mechanical properties of GaN NWs

NASA Astrophysics Data System (ADS)

Zamani Kouhpanji, Mohammad Reza; Behzadirad, Mahmoud; Busani, Tito

2017-12-01

We used the stable strain gradient theory including acceleration gradients to investigate the classical and nonclassical mechanical properties of gallium nitride (GaN) nanowires (NWs). We predicted the static length scales, Young's modulus, and shear modulus of the GaN NWs from the experimental data. Combining these results with atomic simulations, we also found the dynamic length scale of the GaN NWs. Young's modulus, shear modulus, static, and dynamic length scales were found to be 318 GPa, 131 GPa, 8 nm, and 8.9 nm, respectively, usable for demonstrating the static and dynamic behaviors of GaN NWs having diameters from a few nm to bulk dimensions. Furthermore, the experimental data were analyzed with classical continuum theory (CCT) and compared with the available literature to illustrate the size-dependency of the mechanical properties of GaN NWs. This practice resolves the previous published discrepancies that happened due to the limitations of CCT used for determining the mechanical properties of GaN NWs and their size-dependency.

Adaptive Multiscale Modeling of Geochemical Impacts on Fracture Evolution

NASA Astrophysics Data System (ADS)

Molins, S.; Trebotich, D.; Steefel, C. I.; Deng, H.

2016-12-01

Understanding fracture evolution is essential for many subsurface energy applications, including subsurface storage, shale gas production, fracking, CO2 sequestration, and geothermal energy extraction. Geochemical processes in particular play a significant role in the evolution of fractures through dissolution-driven widening, fines migration, and/or fracture sealing due to precipitation. One obstacle to understanding and exploiting geochemical fracture evolution is that it is a multiscale process. However, current geochemical modeling of fractures cannot capture this multi-scale nature of geochemical and mechanical impacts on fracture evolution, and is limited to either a continuum or pore-scale representation. Conventional continuum-scale models treat fractures as preferential flow paths, with their permeability evolving as a function (often, a cubic law) of the fracture aperture. This approach has the limitation that it oversimplifies flow within the fracture in its omission of pore scale effects while also assuming well-mixed conditions. More recently, pore-scale models along with advanced characterization techniques have allowed for accurate simulations of flow and reactive transport within the pore space (Molins et al., 2014, 2015). However, these models, even with high performance computing, are currently limited in their ability to treat tractable domain sizes (Steefel et al., 2013). Thus, there is a critical need to develop an adaptive modeling capability that can account for separate properties and processes, emergent and otherwise, in the fracture and the rock matrix at different spatial scales. Here we present an adaptive modeling capability that treats geochemical impacts on fracture evolution within a single multiscale framework. Model development makes use of the high performance simulation capability, Chombo-Crunch, leveraged by high resolution characterization and experiments. The modeling framework is based on the adaptive capability in Chombo which not only enables mesh refinement, but also refinement of the model-pore scale or continuum Darcy scale-in a dynamic way such that the appropriate model is used only when and where it is needed. Explicit flux matching provides coupling betwen the scales.

Continuum limit of the vibrational properties of amorphous solids.

PubMed

Mizuno, Hideyuki; Shiba, Hayato; Ikeda, Atsushi

2017-11-14

The low-frequency vibrational and low-temperature thermal properties of amorphous solids are markedly different from those of crystalline solids. This situation is counterintuitive because all solid materials are expected to behave as a homogeneous elastic body in the continuum limit, in which vibrational modes are phonons that follow the Debye law. A number of phenomenological explanations for this situation have been proposed, which assume elastic heterogeneities, soft localized vibrations, and so on. Microscopic mean-field theories have recently been developed to predict the universal non-Debye scaling law. Considering these theoretical arguments, it is absolutely necessary to directly observe the nature of the low-frequency vibrations of amorphous solids and determine the laws that such vibrations obey. Herein, we perform an extremely large-scale vibrational mode analysis of a model amorphous solid. We find that the scaling law predicted by the mean-field theory is violated at low frequency, and in the continuum limit, the vibrational modes converge to a mixture of phonon modes that follow the Debye law and soft localized modes that follow another universal non-Debye scaling law.

Continuum limit of the vibrational properties of amorphous solids

PubMed Central

Mizuno, Hideyuki; Ikeda, Atsushi

2017-01-01

The low-frequency vibrational and low-temperature thermal properties of amorphous solids are markedly different from those of crystalline solids. This situation is counterintuitive because all solid materials are expected to behave as a homogeneous elastic body in the continuum limit, in which vibrational modes are phonons that follow the Debye law. A number of phenomenological explanations for this situation have been proposed, which assume elastic heterogeneities, soft localized vibrations, and so on. Microscopic mean-field theories have recently been developed to predict the universal non-Debye scaling law. Considering these theoretical arguments, it is absolutely necessary to directly observe the nature of the low-frequency vibrations of amorphous solids and determine the laws that such vibrations obey. Herein, we perform an extremely large-scale vibrational mode analysis of a model amorphous solid. We find that the scaling law predicted by the mean-field theory is violated at low frequency, and in the continuum limit, the vibrational modes converge to a mixture of phonon modes that follow the Debye law and soft localized modes that follow another universal non-Debye scaling law. PMID:29087941

A Model for Predicting Thermoelectric Properties of Bi2Te3

NASA Technical Reports Server (NTRS)

Lee, Seungwon; VonAllmen, Paul

2009-01-01

A parameterized orthogonal tight-binding mathematical model of the quantum electronic structure of the bismuth telluride molecule has been devised for use in conjunction with a semiclassical transport model in predicting the thermoelectric properties of doped bismuth telluride. This model is expected to be useful in designing and analyzing Bi2Te3 thermoelectric devices, including ones that contain such nano - structures as quantum wells and wires. In addition, the understanding gained in the use of this model can be expected to lead to the development of better models that could be useful for developing other thermoelectric materials and devices having enhanced thermoelectric properties. Bi2Te3 is one of the best bulk thermoelectric materials and is widely used in commercial thermoelectric devices. Most prior theoretical studies of the thermoelectric properties of Bi2Te3 have involved either continuum models or ab-initio models. Continuum models are computationally very efficient, but do not account for atomic-level effects. Ab-initio models are atomistic by definition, but do not scale well in that computation times increase excessively with increasing numbers of atoms. The present tight-binding model bridges the gap between the well-scalable but non-atomistic continuum models and the atomistic but poorly scalable ab-initio models: The present tight-binding model is atomistic, yet also computationally efficient because of the reduced (relative to an ab-initio model) number of basis orbitals and flexible parameterization of the Hamiltonian.

Spectral properties of minimal-basis-set orbitals: Implications for molecular electronic continuum states

NASA Astrophysics Data System (ADS)

Langhoff, P. W.; Winstead, C. L.

Early studies of the electronically excited states of molecules by John A. Pople and coworkers employing ab initio single-excitation configuration interaction (SECI) calculations helped to simulate related applications of these methods to the partial-channel photoionization cross sections of polyatomic molecules. The Gaussian representations of molecular orbitals adopted by Pople and coworkers can describe SECI continuum states when sufficiently large basis sets are employed. Minimal-basis virtual Fock orbitals stabilized in the continuous portions of such SECI spectra are generally associated with strong photoionization resonances. The spectral attributes of these resonance orbitals are illustrated here by revisiting previously reported experimental and theoretical studies of molecular formaldehyde (H2CO) in combination with recently calculated continuum orbital amplitudes.

Topology and layout optimization of discrete and continuum structures

NASA Technical Reports Server (NTRS)

Bendsoe, Martin P.; Kikuchi, Noboru

1993-01-01

The basic features of the ground structure method for truss structure an continuum problems are described. Problems with a large number of potential structural elements are considered using the compliance of the structure as the objective function. The design problem is the minimization of compliance for a given structural weight, and the design variables for truss problems are the cross-sectional areas of the individual truss members, while for continuum problems they are the variable densities of material in each of the elements of the FEM discretization. It is shown how homogenization theory can be applied to provide a relation between material density and the effective material properties of a periodic medium with a known microstructure of material and voids.

The influence of ligament modelling strategies on the predictive capability of finite element models of the human knee joint.

PubMed

Naghibi Beidokhti, Hamid; Janssen, Dennis; van de Groes, Sebastiaan; Hazrati, Javad; Van den Boogaard, Ton; Verdonschot, Nico

2017-12-08

In finite element (FE) models knee ligaments can represented either by a group of one-dimensional springs, or by three-dimensional continuum elements based on segmentations. Continuum models closer approximate the anatomy, and facilitate ligament wrapping, while spring models are computationally less expensive. The mechanical properties of ligaments can be based on literature, or adjusted specifically for the subject. In the current study we investigated the effect of ligament modelling strategy on the predictive capability of FE models of the human knee joint. The effect of literature-based versus specimen-specific optimized material parameters was evaluated. Experiments were performed on three human cadaver knees, which were modelled in FE models with ligaments represented either using springs, or using continuum representations. In spring representation collateral ligaments were each modelled with three and cruciate ligaments with two single-element bundles. Stiffness parameters and pre-strains were optimized based on laxity tests for both approaches. Validation experiments were conducted to evaluate the outcomes of the FE models. Models (both spring and continuum) with subject-specific properties improved the predicted kinematics and contact outcome parameters. Models incorporating literature-based parameters, and particularly the spring models (with the representations implemented in this study), led to relatively high errors in kinematics and contact pressures. Using a continuum modelling approach resulted in more accurate contact outcome variables than the spring representation with two (cruciate ligaments) and three (collateral ligaments) single-element-bundle representations. However, when the prediction of joint kinematics is of main interest, spring ligament models provide a faster option with acceptable outcome. Copyright © 2017 Elsevier Ltd. All rights reserved.

Smart Occupancy Sensor Debuts - Continuum Magazine | NREL

Science.gov Websites

occupancy, IPOS uses sequential image subtractions like this one for extracting and analyzing motion building energy performance. Noted as one of the 100 most significant innovations of 2013 by R&D device where one edge of the IC is exposed. In the background is a blackboard on which computer

Ion concentrations and velocity profiles in nanochannel electroosmotic flows

NASA Astrophysics Data System (ADS)

Qiao, R.; Aluru, N. R.

2003-03-01

Ion distributions and velocity profiles for electroosmotic flow in nanochannels of different widths are studied in this paper using molecular dynamics and continuum theory. For the various channel widths studied in this paper, the ion distribution near the channel wall is strongly influenced by the finite size of the ions and the discreteness of the solvent molecules. The classical Poisson-Boltzmann equation fails to predict the ion distribution near the channel wall as it does not account for the molecular aspects of the ion-wall and ion-solvent interactions. A modified Poisson-Boltzmann equation based on electrochemical potential correction is introduced to account for ion-wall and ion-solvent interactions. The electrochemical potential correction term is extracted from the ion distribution in a smaller channel using molecular dynamics. Using the electrochemical potential correction term extracted from molecular dynamics (MD) simulation of electroosmotic flow in a 2.22 nm channel, the modified Poisson-Boltzmann equation predicts the ion distribution in larger channel widths (e.g., 3.49 and 10.00 nm) with good accuracy. Detailed studies on the velocity profile in electro-osmotic flow indicate that the continuum flow theory can be used to predict bulk fluid flow in channels as small as 2.22 nm provided that the viscosity variation near the channel wall is taken into account. We propose a technique to embed the velocity near the channel wall obtained from MD simulation of electroosmotic flow in a narrow channel (e.g., 2.22 nm wide channel) into simulation of electroosmotic flow in larger channels. Simulation results indicate that such an approach can predict the velocity profile in larger channels (e.g., 3.49 and 10.00 nm) very well. Finally, simulation of electroosmotic flow in a 0.95 nm channel indicates that viscosity cannot be described by a local, linear constitutive relationship that the continuum flow theory is built upon and thus the continuum flow theory is not applicable for electroosmotic flow in such small channels.

Continuum approach to the BF vacuum: The U(1) case

NASA Astrophysics Data System (ADS)

Drobiński, Patryk; Lewandowski, Jerzy

2017-12-01

A quantum representation of holonomies and exponentiated fluxes of a U(1) gauge theory that contains the Pullin-Dittrich-Geiller (DG) vacuum is presented and discussed. Our quantization is performed manifestly in a continuum theory, without any discretization. The discreteness emerges on the quantum level as a property of the spectrum of the quantum holonomy operators. The new type of a cylindrical consistency present in the DG approach now follows easily and naturally. A generalization to the non-Abelian case seems possible.

Relation between metric and decametric noise storm sources and microwave S-component emissions

NASA Technical Reports Server (NTRS)

Sakurai, K.

1974-01-01

Various activities are reported by taking into account the properties of the active region and its relationship to low frequency burst emissions observed by the IMP-6 satellite. The relation of metric noise continuum storms (200 MHz) with the S-component of microwave emissions (2800 MHz) are examined. Taking the results analyzed, a model on the growth of radio noise continuum sources in metric and decametric frequencies and its relation to microwave and other solar active phenomena are considered.

Magnetic Excitations and Continuum of a Possibly Field-Induced Quantum Spin Liquid in α -RuCl3

NASA Astrophysics Data System (ADS)

Wang, Zhe; Reschke, S.; Hüvonen, D.; Do, S.-H.; Choi, K.-Y.; Gensch, M.; Nagel, U.; Rõõm, T.; Loidl, A.

2017-12-01

We report on terahertz spectroscopy of quantum spin dynamics in α -RuCl3 , a system proximate to the Kitaev honeycomb model, as a function of temperature and magnetic field. We follow the evolution of an extended magnetic continuum below the structural phase transition at Ts 2=62 K . With the onset of a long-range magnetic order at TN=6.5 K , spectral weight is transferred to a well-defined magnetic excitation at ℏω1=2.48 meV , which is accompanied by a higher-energy band at ℏω2=6.48 meV . Both excitations soften in a magnetic field, signaling a quantum phase transition close to Bc=7 T , where a broad continuum dominates the dynamical response. Above Bc, the long-range order is suppressed, and on top of the continuum, emergent magnetic excitations evolve. These excitations follow clear selection rules and exhibit distinct field dependencies, characterizing the dynamical properties of a possibly field-induced quantum spin liquid.

Improvements in continuum modeling for biomolecular systems

NASA Astrophysics Data System (ADS)

Yu, Qiao; Ben-Zhuo, Lu

2016-01-01

Modeling of biomolecular systems plays an essential role in understanding biological processes, such as ionic flow across channels, protein modification or interaction, and cell signaling. The continuum model described by the Poisson- Boltzmann (PB)/Poisson-Nernst-Planck (PNP) equations has made great contributions towards simulation of these processes. However, the model has shortcomings in its commonly used form and cannot capture (or cannot accurately capture) some important physical properties of the biological systems. Considerable efforts have been made to improve the continuum model to account for discrete particle interactions and to make progress in numerical methods to provide accurate and efficient simulations. This review will summarize recent main improvements in continuum modeling for biomolecular systems, with focus on the size-modified models, the coupling of the classical density functional theory and the PNP equations, the coupling of polar and nonpolar interactions, and numerical progress. Project supported by the National Natural Science Foundation of China (Grant No. 91230106) and the Chinese Academy of Sciences Program for Cross & Cooperative Team of the Science & Technology Innovation.

Correlation between length and tilt of lipid tails

NASA Astrophysics Data System (ADS)

Kopelevich, Dmitry I.; Nagle, John F.

2015-10-01

It is becoming recognized from simulations, and to a lesser extent from experiment, that the classical Helfrich-Canham membrane continuum mechanics model can be fruitfully enriched by the inclusion of molecular tilt, even in the fluid, chain disordered, biologically relevant phase of lipid bilayers. Enriched continuum theories then add a tilt modulus κθ to accompany the well recognized bending modulus κ. Different enrichment theories largely agree for many properties, but it has been noticed that there is considerable disagreement in one prediction; one theory postulates that the average length of the hydrocarbon chain tails increases strongly with increasing tilt and another predicts no increase. Our analysis of an all-atom simulation favors the latter theory, but it also shows that the overall tail length decreases slightly with increasing tilt. We show that this deviation from continuum theory can be reconciled by consideration of the average shape of the tails, which is a descriptor not obviously includable in continuum theory.

An oculomotor continuum from exploration to fixation

PubMed Central

Otero-Millan, Jorge; Macknik, Stephen L.; Langston, Rachel E.; Martinez-Conde, Susana

2013-01-01

During visual exploration, saccadic eye movements scan the scene for objects of interest. During attempted fixation, the eyes are relatively still but often produce microsaccades. Saccadic rates during exploration are higher than those of microsaccades during fixation, reinforcing the classic view that exploration and fixation are two distinct oculomotor behaviors. An alternative model is that fixation and exploration are not dichotomous, but are instead two extremes of a functional continuum. Here, we measured the eye movements of human observers as they either fixed their gaze on a small spot or scanned natural scenes of varying sizes. As scene size diminished, so did saccade rates, until they were continuous with microsaccadic rates during fixation. Other saccadic properties varied as function of image size as well, forming a continuum with microsaccadic parameters during fixation. This saccadic continuum extended to nonrestrictive, ecological viewing conditions that allowed all types of saccades and fixation positions. Eye movement simulations moreover showed that a single model of oculomotor behavior can explain the saccadic continuum from exploration to fixation, for images of all sizes. These findings challenge the view that exploration and fixation are dichotomous, suggesting instead that visual fixation is functionally equivalent to visual exploration on a spatially focused scale. PMID:23533278

Weak bump quasars

NASA Technical Reports Server (NTRS)

Wilkes, B. J.; Mcdowell, J.

1994-01-01

Research into the optical, ultraviolet and infrared continuum emission from quasars and their host galaxies was carried out. The main results were the discovery of quasars with unusually weak infrared emission and the construction of a quantitative estimate of the dispersion in quasar continuum properties. One of the major uncertainties in the measurement of quasar continuum strength is the contribution to the continuum of the quasar host galaxy as a function of wavelength. Continuum templates were constructed for different types of host galaxy and individual estimates made of the decomposed quasar and host continua based on existing observations of the target quasars. The results are that host galaxy contamination is worse than previously suspected, and some apparent weak bump quasars are really normal quasars with strong host galaxies. However, the existence of true weak bump quasars such as PHL 909 was confirmed. The study of the link between the bump strength and other wavebands was continued by comparing with IRAS data. There is evidence that excess far infrared radiation is correlated with weaker ultraviolet bumps. This argues against an orientation effect and implies a probable link with the host galaxy environment, for instance the presence of a luminous starburst. However, the evidence still favors the idea that reddening is not important in those objects with ultraviolet weak bumps. The same work has led to the discovery of a class of infrared weak quasars. Pushing another part of the envelope of quasar continuum parameter space, the IR-weak quasars have implications for understanding the effects of reddening internal to the quasars, the reality of ultraviolet turnovers, and may allow further tests of the Phinney dust model for the IR continuum. They will also be important objects for studying the claimed IR to x-ray continuum correlation.

How does a three-dimensional continuum muscle model affect the kinematics and muscle strains of a finite element neck model compared to a discrete muscle model in rear-end, frontal, and lateral impacts.

PubMed

Hedenstierna, Sofia; Halldin, Peter

2008-04-15

A finite element (FE) model of the human neck with incorporated continuum or discrete muscles was used to simulate experimental impacts in rear, frontal, and lateral directions. The aim of this study was to determine how a continuum muscle model influences the impact behavior of a FE human neck model compared with a discrete muscle model. Most FE neck models used for impact analysis today include a spring element musculature and are limited to discrete geometries and nodal output results. A solid-element muscle model was thought to improve the behavior of the model by adding properties such as tissue inertia and compressive stiffness and by improving the geometry. It would also predict the strain distribution within the continuum elements. A passive continuum muscle model with nonlinear viscoelastic materials was incorporated into the KTH neck model together with active spring muscles and used in impact simulations. The resulting head and vertebral kinematics was compared with the results from a discrete muscle model as well as volunteer corridors. The muscle strain prediction was compared between the 2 muscle models. The head and vertebral kinematics were within the volunteer corridors for both models when activated. The continuum model behaved more stiffly than the discrete model and needed less active force to fit the experimental results. The largest difference was seen in the rear impact. The strain predicted by the continuum model was lower than for the discrete model. The continuum muscle model stiffened the response of the KTH neck model compared with a discrete model, and the strain prediction in the muscles was improved.

Nanotechnology for the forest products industry

Treesearch

Theodore Wegner; Philip Jones

2005-01-01

Nanotechnology is defined as the manipulation of materials measuring 100 nanometers or less in at least one dimension. In addition, nanomaterials must display unique properties and characteristics that are different than their bulk properties. At the 1-nanometer (nm) level, quantum mechanics rules, and at dimensions above 100 nm, classical continuum mechanics, physics...

Time-Resolved Properties and Global Trends in dMe Flares from Simultaneous Photometry and Spectra

NASA Astrophysics Data System (ADS)

Kowalski, Adam F.

We present a homogeneous survey of near-ultraviolet (NUV) /optical line and continuum emission during twenty M dwarf flares with simultaneous, high cadence photometry and spectra. These data were obtained to study the white-light continuum components to the blue and red of the Balmer jump to break the degeneracy with fitting emission mechanisms to broadband colors and to provide constraints for radiative-hydrodynamic flare models that seek to reproduce the white-light flare emission. The main results from the continuum analysis are the following: 1) the detection of Balmer continuum (in emission) that is present during all flares, with a wide range of relative contribution to the continuum flux in the NUV; 2) a blue continuum at the peak of the photometry that is linear with wavelength from λ = 4000 - 4800Å, matched by the spectral shape of hot, blackbody emission with typical temperatures of 10 000 - 12 000 K; 3) a redder continuum apparent at wavelengths longer than Hβ; this continuum becomes relatively more important to the energy budget during the late gradual phase. The hot blackbody component and redder continuum component (which we call "the conundruum") have been detected in previous UBVR colorimetry studies of flares. With spectra, one can compare the properties and detailed timings of all three components. Using time-resolved spectra during the rise phase of three flares, we calculate the speed of an expanding flare region assuming a simple geometry; the speeds are found to be ~5- 10 km s-1 and 50 - 120 km s -1, which are strikingly consistent with the speeds at which two-ribbon flares develop on the Sun. The main results from the emission line analysis are 1) the presentation of the "time-decrement", a relation between the timescales of the Balmer series; 2) a Neupert-like relation between Ca \\pcy K and the blackbody continuum, and 3) the detection of absorption wings in the Hydrogen Balmer lines during times of peak continuum emission, indicative of hot-star spectra forming during the flare. A byproduct of this study is a new method for deriving absolute fluxes during M dwarf flare observations obtained from narrow-slit spectra or during variable weather conditions. This technique allows us to analyze the spectra and photometry independently of one another, in order to connect the spectral properties to the rise, peak, and decay phases of broadband light curve morphology. We classify the light curve morphology according to an "impulsiveness index" and find that the fast (impulsive) flares have less Balmer continuum at peak emission than the slow (gradual) flares. In the gradual phase, the energy budget of the flare spectrum during almost all flares has a larger contribution from the Hydrogen Balmer component than in the impulsive phase, suggesting that the heating and cooling processes evolve over the course of a flare. We find that, in general, the evolution of the hot blackbody is rapid, and that the blackbody temperature decreases to ~8000 K in the gradual phase. The Balmer continuum evolves more slowly than the blackbody ¨C similar to the higher order Balmer lines but faster than the lower order Balmer lines. The height of the Balmer jump increases during the gradual decay phase. We model the Balmer continuum emission using the RHD F11 model spectrum from Allred et al. (2006), but we discuss several important systematic uncertainties in relating the apparent amount of Balmer continuum to a given RHD beam model. Good fits to the shape of the RHD F11 model spectrum are not obtained at peak times, in contrast to the gradual phase. We model the blackbody component using model hot star atmospheres from Castelli & Kurucz (2004) in order to account for the effects of flux redistribution in the flare atmosphere. This modeling is motivated by observations during a secondary flare in the decay phase of a megaflare, when the newly formed flare spectrum resembled that of Vega with the Balmer continuum and lines in absorption. We model this continuum phenomenologically with the RH code using hot spots placed at high column mass in the M dwarf quiescent atmosphere; a superposition of hot spot models and the RHD model are used to explain the anti-correlation in the apparent amount of Balmer continuum in emission and the U-band light curve. We attempt to reproduce the blackbody component in self-consistent 1D radiative hydrodynamic flare models using the RADYN code. We simulate the flare using a solar-type nonthermal electron beam heating function with a total energy flux of 1012 ergs cm-2 s-1 (F12) for a duration of 5 seconds and a subsequent gradual phase. Although there is a larger amount of NUV backwarming at log mc/(1g cm-2)~0 than in the F11 model, the resulting flare continuum shape is similar to the F11 model spectrum with a larger Balmer jump and a much redder spectral shape than is seen in the observations. We do not find evidence of white-light emitting chromospheric condensations, in contrast to the previous F12 model of Livshits et al. (1981). We discuss future avenues for RHD modeling in order to produce a hot blackbody component, including the treatment of nonthermal protons in M dwarf flares.

Quantum mechanical/molecular mechanical/continuum style solvation model: second order Møller-Plesset perturbation theory.

PubMed

Thellamurege, Nandun M; Si, Dejun; Cui, Fengchao; Li, Hui

2014-05-07

A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths of the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.

An accelerated lambda iteration method for multilevel radiative transfer. I - Non-overlapping lines with background continuum

NASA Technical Reports Server (NTRS)

Rybicki, G. B.; Hummer, D. G.

1991-01-01

A method is presented for solving multilevel transfer problems when nonoverlapping lines and background continuum are present and active continuum transfer is absent. An approximate lambda operator is employed to derive linear, 'preconditioned', statistical-equilibrium equations. A method is described for finding the diagonal elements of the 'true' numerical lambda operator, and therefore for obtaining the coefficients of the equations. Iterations of the preconditioned equations, in conjunction with the transfer equation's formal solution, are used to solve linear equations. Some multilevel problems are considered, including an eleven-level neutral helium atom. Diagonal and tridiagonal approximate lambda operators are utilized in the problems to examine the convergence properties of the method, and it is found to be effective for the line transfer problems.

PCE: web tools to compute protein continuum electrostatics

PubMed Central

Miteva, Maria A.; Tufféry, Pierre; Villoutreix, Bruno O.

2005-01-01

PCE (protein continuum electrostatics) is an online service for protein electrostatic computations presently based on the MEAD (macroscopic electrostatics with atomic detail) package initially developed by D. Bashford [(2004) Front Biosci., 9, 1082–1099]. This computer method uses a macroscopic electrostatic model for the calculation of protein electrostatic properties, such as pKa values of titratable groups and electrostatic potentials. The MEAD package generates electrostatic energies via finite difference solution to the Poisson–Boltzmann equation. Users submit a PDB file and PCE returns potentials and pKa values as well as color (static or animated) figures displaying electrostatic potentials mapped on the molecular surface. This service is intended to facilitate electrostatics analyses of proteins and thereby broaden the accessibility to continuum electrostatics to the biological community. PCE can be accessed at . PMID:15980492

Extracting Spatiotemporal Objects from Raster Data to Represent Physical Features and Analyze Related Processes

NASA Astrophysics Data System (ADS)

Zollweg, J. A.

2017-10-01

Numerous ground-based, airborne, and orbiting platforms provide remotely-sensed data of remarkable spatial resolution at short time intervals. However, this spatiotemporal data is most valuable if it can be processed into information, thereby creating meaning. We live in a world of objects: cars, buildings, farms, etc. On a stormy day, we don't see millions of cubes of atmosphere; we see a thunderstorm `object'. Temporally, we don't see the properties of those individual cubes changing, we see the thunderstorm as a whole evolving and moving. There is a need to represent the bulky, raw spatiotemporal data from remote sensors as a small number of relevant spatiotemporal objects, thereby matching the human brain's perception of the world. This presentation reveals an efficient algorithm and system to extract the objects/features from raster-formatted remotely-sensed data. The system makes use of the Python object-oriented programming language, SciPy/NumPy for matrix manipulation and scientific computation, and export/import to the GeoJSON standard geographic object data format. The example presented will show how thunderstorms can be identified and characterized in a spatiotemporal continuum using a Python program to process raster data from NOAA's High-Resolution Rapid Refresh v2 (HRRRv2) data stream.

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

Leitherer, Claus; Lee, Janice C.; Hernandez, Svea

We report on the detection of Lyman continuum radiation in two nearby starburst galaxies. Tol 0440-381, Tol 1247-232, and Mrk 54 were observed with the Cosmic Origins Spectrograph on board the Hubble Space Telescope . The three galaxies have radial velocities of ∼13,000 km s{sup −1}, permitting a ∼35 Å window on the restframe Lyman continuum shortward of the Milky Way Lyman edge at 912 Å. The chosen instrument configuration using the G140L grating covers the spectral range from 912 to 2000 Å. We developed a dedicated background subtraction method to account for the temporal and spatial background variations ofmore » the detector, which is crucial at the low flux levels around 912 Å. This modified pipeline allowed us to significantly improve the statistical and systematic detector noise and will be made available to the community. We detect Lyman continuum in all three galaxies. However, we conservatively interpret the emission in Tol 0440-381 as an upper limit due to possible contamination by geocoronal Lyman series lines. We determined the current star formation properties from the far-ultraviolet continuum and spectral lines and used synthesis models to predict the Lyman continuum radiation emitted by the current population of hot stars. We discuss various model uncertainties such as, among others, atmospheres and evolution models. Lyman continuum escape fractions were derived from a comparison between the observed and predicted Lyman continuum fluxes. Tol 1247-232, Mrk 54, and Tol 0440-381 have absolute escape fractions of (4.5 ± 1.2)%, (2.5 ± 0.72)%, and <(7.1 ± 1.1)%, respectively.« less

Halloysite nanotubes as a solid sorbent in ultrasound-assisted dispersive micro solid-phase extraction for the determination of bismuth in water samples using high-resolution continuum source graphite-furnace atomic absorption spectrometry

NASA Astrophysics Data System (ADS)

Krawczyk-Coda, Magdalena

2017-03-01

In this research, a simple, accurate, and inexpensive preconcentration procedure was developed for the determination of bismuth in water samples, using high-resolution continuum source graphite furnace atomic absorption spectrometry (HR CS GFAAS). During the preconcentration step, halloysite nanotubes (HNTs) were used as a solid sorbent in ultrasound-assisted dispersive micro solid-phase extraction (USA DMSPE). The influence of the pH of the sample solution, amount of HNTs, and extraction time, as well as of the main parameters of HR CS GFAAS, on absorbance was investigated. The limit of detection was 0.005 μg L- 1. The preconcentration factor achieved for bismuth was 32. The relative standard deviation (RSD) was 4%. The accuracy of this method was validated by analyses of NIST SRM 1643e (Trace elements in water) and TMDA-54.5 (A high level fortified sample for trace elements) certified reference materials. The measured bismuth contents in these certified reference materials were in satisfactory agreement with the certified values according to the t-test for a 95% confidence level. The proposed method has been successfully applied to the determination of bismuth in five different real water samples (seawater, lake water, river water, stream water and rain water).

Dielectric properties of organic solvents from non-polarizable molecular dynamics simulation with electronic continuum model and density functional theory.

PubMed

Lee, Sanghun; Park, Sung Soo

2011-11-03

Dielectric constants of electrolytic organic solvents are calculated employing nonpolarizable Molecular Dynamics simulation with Electronic Continuum (MDEC) model and Density Functional Theory. The molecular polarizabilities are obtained by the B3LYP/6-311++G(d,p) level of theory to estimate high-frequency refractive indices while the densities and dipole moment fluctuations are computed using nonpolarizable MD simulations. The dielectric constants reproduced from these procedures are evaluated to provide a reliable approach for estimating the experimental data. An additional feature, two representative solvents which have similar molecular weights but are different dielectric properties, i.e., ethyl methyl carbonate and propylene carbonate, are compared using MD simulations and the distinctly different dielectric behaviors are observed at short times as well as at long times.

A multiscale quasi-continuum theory to determine thermodynamic properties of fluid mixtures in nanochannels

NASA Astrophysics Data System (ADS)

Motevaselian, Mohammad Hossein; Mashayak, Sikandar Y.; Aluru, Narayana R.

2015-11-01

We present an empirical potential-based quasi-continuum theory (EQT) that seamlessly integrates the interatomic potentials into a continuum framework such as the Nernst-Planck equation. EQT is a simple and fast approach, which provides accurate predictions of potential of mean force (PMF) and density distribution of confined fluids at multiple length-scales, ranging from few Angstroms to macro meters. The EQT potentials can be used to construct the excess free energy functional in the classical density functional theory (cDFT). The combination of EQT and cDFT (EQT-cDFT), allows one to predict the thermodynamic properties of confined fluids. Recently, the EQT-cDFT framework was developed for single component LJ fluids confined in slit-like graphene channels. In this work, we extend the framework to confined LJ fluid mixtures and demonstrate it by simulating a mixture of methane and hydrogen molecules inside slit-like graphene channels. We show that the EQT-cDFT predictions for the structure of the confined fluid mixture compare well with the MD simulations. In addition, our results show that graphene nanochannels exhibit a selective adsorption of methane over hydrogen.

International Ultraviolet Explorer (IUE)

NASA Technical Reports Server (NTRS)

Boehm, Karl-Heinz

1992-01-01

The observation, data reduction, and interpretation of ultraviolet spectra (obtained with the International Ultraviolet Explorer) of Herbig-Haro objects, stellar jets, and (in a few cases) reflection nebulae in star-forming regions is discussed. Intermediate results have been reported in the required semi-annual reports. The observations for this research were obtained in 23 (US1) IUE shifts. The spectra were taken in the low resolution mode with the large aperture. The following topics were investigated: (1) detection of UV spectra of high excitation Herbig-Haro (HH) objects, identification of emission lines, and a preliminary study of the energy distribution of the ultraviolet continuum; (2) details of the continuum energy distribution of these spectra and their possible interpretation; (3) the properties of the reddening (extinction) of HH objects; (4) the possible time variation of strong emission lines in high excitation HH objects; (5) the ultraviolet emission of low excitation HH objects, especially in the fluorescent lines of the H2 molecule; (6) the ultraviolet emission in the peculiar object HH24; (7) the spatial emission distribution of different lines and different parts of the continuum in different HH objects; and (8) some properties of reflection nebula, in the environment of Herbig-Haro objects. Each topic is discussed.

Constitutive Modeling of Nanotube-Reinforced Polymer Composite Systems

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Harik, Vasyl M.; Wise, Kristopher E.; Gates, Thomas S.

2004-01-01

In this study, a technique has been proposed for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Since the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be considered continuous, and the bulk mechanical properties of the SWNT/polymer composites can no longer be determined through traditional micromechanical approaches that are formulated using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method. The effective fiber retains the local molecular structure and bonding information and serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube sizes and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/polyethylene composite systems, one with continuous and aligned SWNT and the other with discontinuous and randomly aligned nanotubes.

Constitutive Modeling of Nanotube-Reinforced Polymer Composite Systems

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Harik, Vasyl M.; Wise, Kristopher E.; Gates, Thomas S.

2001-01-01

In this study, a technique has been proposed for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Since the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be considered continuous, and the bulk mechanical properties of the SWNT/polymer composites can no longer be determined through traditional micromechanical approaches that are formulated using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method. The effective fiber retains the local molecular structure and bonding information and serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube sizes and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/polyethylene composite systems, one with continuous and aligned SWNT and the other with discontinuous and randomly aligned nanotubes.

Phase diagram and thermal properties of strong-interaction matter

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

Gao, Fei; Chen, Jing; Liu, Yu-Xin

2016-05-20

We introduce a novel method for computing the (μ, T)-dependent pressure in continuum QCD, from which we obtain a complex phase diagram and predictions for thermal properties of the dressed-quark component of the system, providing the in-medium behavior of the related trace anomaly, speed of sound, latent heat, and heat capacity.

Physical Properties of Umbral Dots Observed in Sunspots: A Hinode Observation

NASA Astrophysics Data System (ADS)

Yadav, Rahul; Mathew, Shibu K.

2018-04-01

Umbral dots (UDs) are small-scale bright features observed in the umbral part of sunspots and pores. It is well established that they are manifestations of magnetoconvection phenomena inside umbrae. We study the physical properties of UDs in different sunspots and their dependence on decay rate and filling factor. We have selected high-resolution, G-band continuum filtergrams of seven sunspots from Hinode to study their physical properties. We have also used Michelson Doppler Imager (MDI) continuum images to estimate the decay rate of selected sunspots. An identification and tracking algorithm was developed to identify the UDs in time sequences. The statistical analysis of UDs exhibits an averaged maximum intensity and effective diameter of 0.26 I_{QS} and 270 km. Furthermore, the lifetime, horizontal speed, trajectory length, and displacement length (birth-death distance) of UDs are 8.19 minutes, 0.5 km s-1, 284 km, and 155 km, respectively. We also find a positive correlation between intensity-diameter, intensity-lifetime, and diameter-lifetime of UDs. However, UD properties do not show any significant relation with the decay rate or filling factor.

An EQT-based cDFT approach for thermodynamic properties of confined fluid mixtures

NASA Astrophysics Data System (ADS)

Motevaselian, M. H.; Aluru, N. R.

2017-04-01

We present an empirical potential-based quasi-continuum theory (EQT) to predict the structure and thermodynamic properties of confined fluid mixtures. The central idea in the EQT is to construct potential energies that integrate important atomistic details into a continuum-based model such as the Nernst-Planck equation. The EQT potentials can be also used to construct the excess free energy functional, which is required for the grand potential in the classical density functional theory (cDFT). In this work, we use the EQT-based grand potential to predict various thermodynamic properties of a confined binary mixture of hydrogen and methane molecules inside graphene slit channels of different widths. We show that the EQT-cDFT predictions for the structure, surface tension, solvation force, and local pressure tensor profiles are in good agreement with the molecular dynamics simulations. Moreover, we study the effect of different bulk compositions and channel widths on the thermodynamic properties. Our results reveal that the composition of methane in the mixture can significantly affect the ordering of molecules and thermodynamic properties under confinement. In addition, we find that graphene is selective to methane molecules.

Multiscale Micromechanical Modeling of Polymer/Clay Nanocomposites and the Effective Clay Particle

NASA Astrophysics Data System (ADS)

Sheng, Nuo; Boyce, Mary C.; Parks, David M.; Manovitch, Oleg; Rutledge, Gregory C.; Lee, Hojun; McKinley, Gareth H.

2003-03-01

Polymer/clay nanocomposites have been observed to exhibit enhanced mechanical properties at low weight fractions (Wp) of clay. Continuum-based composite modeling reveals that the enhanced properties are strongly dependent on particular features of the second-phase ¡°particles¡+/-; in particular, the particle volume fraction (fp), the particle aspect ratio (L/t), and the ratio of particle mechanical properties to those of the matrix. However, these important aspects of as-processed nanoclay composites have yet to be consistently and accurately defined. A multiscale modeling strategy was developed to account for the hierarchical morphology of the nanocomposite: at a lengthscale of thousands of microns, the structure is one of high aspect ratio particles within a matrix; at the lengthscale of microns, the clay particle structure is either (a) exfoliated clay sheets of nanometer level thickness or (b) stacks of parallel clay sheets separated from one another by interlayer galleries of nanometer level height. Here, quantitative structural parameters extracted from XRD patterns and TEM micrographs are used to determine geometric features of the as-processed clay ¡°particles¡+/-, including L/t and the ratio of fp to Wp. These geometric features, together with estimates of silicate lamina stiffness obtained from molecular dynamics simulations, provide a basis for modeling effective mechanical properties of the clay particle. The structure-based predictions of the macroscopic elastic modulus of the nanocomposite as a function of clay weight fraction are in excellent agreement with experimental data. The adopted methodology offers promise for study of related properties in polymer/clay nanocomposites.

The Hurricane-flood-landslide continuum-forecasting Hurricane effects at landfall

USGS Publications Warehouse

Negri, A.J.; Golden, J.H.; Updike, R.G.

2004-01-01

The integration of remote-sensing and in-situ observations, and assimilation of these observations into high-resolution mesoscale models was described. It was observed that the greatest loss of life and property is the direct result of the storm because of the high winds and heavy rain. The research were conducted to develop a warning system that included satellite observations to track dangerous level of precipitation and hurricane. The focus of the continuum project was to improve the ability to predict the evolution of the Earth system.

Elasticity of fractal materials using the continuum model with non-integer dimensional space

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2015-01-01

Using a generalization of vector calculus for space with non-integer dimension, we consider elastic properties of fractal materials. Fractal materials are described by continuum models with non-integer dimensional space. A generalization of elasticity equations for non-integer dimensional space, and its solutions for the equilibrium case of fractal materials are suggested. Elasticity problems for fractal hollow ball and cylindrical fractal elastic pipe with inside and outside pressures, for rotating cylindrical fractal pipe, for gradient elasticity and thermoelasticity of fractal materials are solved.

Exploring the Full Range of Properties of Quasar Spectral Distribution

NASA Technical Reports Server (NTRS)

Wilkes, B.

1999-01-01

The aim of this work is to obtain multi-wavelength supporting data for the sample of quasars and active galaxies observed in the far-infrared (IR) by ISO as part of our Key Project on quasars and active galaxies. This dataset then provides complete spectral energy distributions (radio-X-ray) of the ISO sample in order to fully delineate the continuum shapes and to allow detailed modeling of that continuum. The report is made up of a short project summary, and a bibliography of published papers, proceedings and presentations.

Structure, Nanomechanics and Dynamics of Dispersed Surfactant-Free Clay Nanocomposite Films

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Zhao, Jing; Snyder, Chad; Karim, Alamgir; National Institute of Standards; Technology Collaboration

Natural Montmorillonite particles were dispersed as tactoids in thin films of polycaprolactone (PCL) through a flow coating technique assisted by ultra-sonication. Wide angle X-ray scattering (WAXS), Grazing-incidence wide angle X-ray scattering (GI-WAXS), and transmission electron microscopy (TEM) were used to confirm the level of dispersion. These characterization techniques are in conjunction with its nanomechanical properties via strain-induced buckling instability for modulus measurements (SIEBIMM), a high throughput technique to characterize thin film mechanical properties. The linear strengthening trend of the elastic modulus enhancements was fitted with Halpin-Tsai (HT) model, correlating the nanoparticle geometric effects and mechanical behaviors based on continuum theories. The overall aspect ratio of dispersed tactoids obtained through HT model fitting is in reasonable agreement with digital electron microscope image analysis. Moreover, glass transition behaviors of the composites were characterized using broadband dielectric relaxation spectroscopy. The segmental relaxation behaviors indicate that the associated mechanical property changes are due to the continuum filler effect rather than the interfacial confinement effect.

A Calibrated Measurement of the Near-IR Continuum Sky Brightness Using Magellan/FIRE

NASA Astrophysics Data System (ADS)

Sullivan, Peter W.; Simcoe, Robert A.

2012-12-01

We characterize the near-IR sky background from 308 observations with the Folded-port InfraRed Echellette (FIRE) spectrograph at Magellan. A subset of 105 observations selected to minimize lunar and thermal effects gives a continuous, median spectrum from 0.83 to 2.5 μm, which we present in Table 2. The data are used to characterize the broadband continuum emission between atmospheric OH features and correlate its properties with observing conditions such as lunar angle and time of night. We find that the Moon contributes significantly to the inter-line continuum in Y and J bands, whereas the observed H-band continuum is dominated by the blended Lorentzian wings of multiple OH line profiles, even at R = 6000. Lunar effects may be mitigated in Y and J through careful scheduling of observations, but the most ambitious near-IR programs will benefit from allocation during dark observing time if those observations are not limited by read noise. In Y and J, our measured continuum exceeds space-based average estimates of the zodiacal light, but it is not readily identified with known terrestrial foregrounds. If further measurements confirm such a fundamental background, it would impact requirements for OH-suppressed instruments operating in this regime.

Consistent Temperature Coupling with Thermal Fluctuations of Smooth Particle Hydrodynamics and Molecular Dynamics

PubMed Central

Ganzenmüller, Georg C.; Hiermaier, Stefan; Steinhauser, Martin O.

2012-01-01

We propose a thermodynamically consistent and energy-conserving temperature coupling scheme between the atomistic and the continuum domain. The coupling scheme links the two domains using the DPDE (Dissipative Particle Dynamics at constant Energy) thermostat and is designed to handle strong temperature gradients across the atomistic/continuum domain interface. The fundamentally different definitions of temperature in the continuum and atomistic domain – internal energy and heat capacity versus particle velocity – are accounted for in a straightforward and conceptually intuitive way by the DPDE thermostat. We verify the here-proposed scheme using a fluid, which is simultaneously represented as a continuum using Smooth Particle Hydrodynamics, and as an atomistically resolved liquid using Molecular Dynamics. In the case of equilibrium contact between both domains, we show that the correct microscopic equilibrium properties of the atomistic fluid are obtained. As an example of a strong non-equilibrium situation, we consider the propagation of a steady shock-wave from the continuum domain into the atomistic domain, and show that the coupling scheme conserves both energy and shock-wave dynamics. To demonstrate the applicability of our scheme to real systems, we consider shock loading of a phospholipid bilayer immersed in water in a multi-scale simulation, an interesting topic of biological relevance. PMID:23300586

Fundamentals of continuum mechanics – classical approaches and new trends

NASA Astrophysics Data System (ADS)

Altenbach, H.

2018-04-01

Continuum mechanics is a branch of mechanics that deals with the analysis of the mechanical behavior of materials modeled as a continuous manifold. Continuum mechanics models begin mostly by introducing of three-dimensional Euclidean space. The points within this region are defined as material points with prescribed properties. Each material point is characterized by a position vector which is continuous in time. Thus, the body changes in a way which is realistic, globally invertible at all times and orientation-preserving, so that the body cannot intersect itself and as transformations which produce mirror reflections are not possible in nature. For the mathematical formulation of the model it is also assumed to be twice continuously differentiable, so that differential equations describing the motion may be formulated. Finally, the kinematical relations, the balance equations, the constitutive and evolution equations and the boundary and/or initial conditions should be defined. If the physical fields are non-smooth jump conditions must be taken into account. The basic equations of continuum mechanics are presented following a short introduction. Additionally, some examples of solid deformable continua will be discussed within the presentation. Finally, advanced models of continuum mechanics will be introduced. The paper is dedicated to Alexander Manzhirov’s 60th birthday.

Sensitivity of the Properties of Ruthenium “Blue Dimer” to Method, Basis Set, and Continuum Model

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

Ozkanlar, Abdullah; Clark, Aurora E.

2012-05-23

The ruthenium “blue dimer” [(bpy)2RuIIIOH2]2O4+ is best known as the first well-defined molecular catalyst for water oxidation. It has been subject to numerous computational studies primarily employing density functional theory. However, those studies have been limited in the functionals, basis sets, and continuum models employed. The controversy in the calculated electronic structure and the reaction energetics of this catalyst highlights the necessity of benchmark calculations that explore the role of density functionals, basis sets, and continuum models upon the essential features of blue-dimer reactivity. In this paper, we report Kohn-Sham complete basis set (KS-CBS) limit extrapolations of the electronic structuremore » of “blue dimer” using GGA (BPW91 and BP86), hybrid-GGA (B3LYP), and meta-GGA (M06-L) density functionals. The dependence of solvation free energy corrections on the different cavity types (UFF, UA0, UAHF, UAKS, Bondi, and Pauling) within polarizable and conductor-like polarizable continuum model has also been investigated. The most common basis sets of double-zeta quality are shown to yield results close to the KS-CBS limit; however, large variations are observed in the reaction energetics as a function of density functional and continuum cavity model employed.« less

Ionized absorbers, ionized emitters, and the X-ray spectrum of active galactic nuclei

NASA Technical Reports Server (NTRS)

Netzer, Hagai

1993-01-01

Broad absorption features are common in the X-ray spectrum of low-luminosity AGNs. The features have been modeled by leaky neutral absorbers or by highly ionized gas that completely occult the continuum source. Such models are incomplete since they do not take into account all the physical processes in the gas. In particular, no previous model included the X-ray emission by the ionized absorbing gas and the reflection of the continuum source radiation. The present work discusses the emission, absorption, and reflection properties of photoionized gases with emphasis on conditions thought to prevail in AGNs. It shows that such gas is likely to produce intense X-ray line and continuum radiation and to reflect a sizable fraction of the nonstellar continuum at all energies. If such gas is indeed responsible for the observed X-ray absorption, then absorption edges are much weaker than commonly assumed, and some residual X-ray continuum is likely to be observed even if the line of sight is completely blocked. Moreover, X-ray emission features may show up in sources not showing X-ray absorption. This has immense consequences for medium-resolution X-ray missions, such as BBXRT and Astro-D, and for the planned high-resolution experiments on board XMM and AXAF.

The water vapour continuum in near-infrared windows - Current understanding and prospects for its inclusion in spectroscopic databases

NASA Astrophysics Data System (ADS)

Shine, Keith P.; Campargue, Alain; Mondelain, Didier; McPheat, Robert A.; Ptashnik, Igor V.; Weidmann, Damien

2016-09-01

Spectroscopic catalogues, such as GEISA and HITRAN, do not yet include information on the water vapour continuum that pervades visible, infrared and microwave spectral regions. This is partly because, in some spectral regions, there are rather few laboratory measurements in conditions close to those in the Earth's atmosphere; hence understanding of the characteristics of the continuum absorption is still emerging. This is particularly so in the near-infrared and visible, where there has been renewed interest and activity in recent years. In this paper we present a critical review focusing on recent laboratory measurements in two near-infrared window regions (centred on 4700 and 6300 cm-1) and include reference to the window centred on 2600 cm-1 where more measurements have been reported. The rather few available measurements, have used Fourier transform spectroscopy (FTS), cavity ring down spectroscopy, optical-feedback - cavity enhanced laser spectroscopy and, in very narrow regions, calorimetric interferometry. These systems have different advantages and disadvantages. Fourier Transform Spectroscopy can measure the continuum across both these and neighbouring windows; by contrast, the cavity laser techniques are limited to fewer wavenumbers, but have a much higher inherent sensitivity. The available results present a diverse view of the characteristics of continuum absorption, with differences in continuum strength exceeding a factor of 10 in the cores of these windows. In individual windows, the temperature dependence of the water vapour self-continuum differs significantly in the few sets of measurements that allow an analysis. The available data also indicate that the temperature dependence differs significantly between different near-infrared windows. These pioneering measurements provide an impetus for further measurements. Improvements and/or extensions in existing techniques would aid progress to a full characterisation of the continuum - as an example, we report pilot measurements of the water vapour self-continuum using a supercontinuum laser source coupled to an FTS. Such improvements, as well as additional measurements and analyses in other laboratories, would enable the inclusion of the water vapour continuum in future spectroscopic databases, and therefore allow for a more reliable forward modelling of the radiative properties of the atmosphere. It would also allow a more confident assessment of different theoretical descriptions of the underlying cause or causes of continuum absorption.

Quantum mechanical/molecular mechanical/continuum style solvation model: Second order Møller-Plesset perturbation theory

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

Thellamurege, Nandun M.; Si, Dejun; Cui, Fengchao

A combined quantum mechanical/molecular mechanical/continuum (QM/MM/C) style second order Møller-Plesset perturbation theory (MP2) method that incorporates induced dipole polarizable force field and induced surface charge continuum solvation model is established. The Z-vector method is modified to include induced dipoles and induced surface charges to determine the MP2 response density matrix, which can be used to evaluate MP2 properties. In particular, analytic nuclear gradient is derived and implemented for this method. Using the Assisted Model Building with Energy Refinement induced dipole polarizable protein force field, the QM/MM/C style MP2 method is used to study the hydrogen bonding distances and strengths ofmore » the photoactive yellow protein chromopore in the wild type and the Glu46Gln mutant.« less

The application of the mesh-free method in the numerical simulations of the higher-order continuum structures

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

Sun, Yuzhou, E-mail: yuzhousun@126.com; Chen, Gensheng; Li, Dongxia

2016-06-08

This paper attempts to study the application of mesh-free method in the numerical simulations of the higher-order continuum structures. A high-order bending beam considers the effect of the third-order derivative of deflections, and can be viewed as a one-dimensional higher-order continuum structure. The moving least-squares method is used to construct the shape function with the high-order continuum property, the curvature and the third-order derivative of deflections are directly interpolated with nodal variables and the second- and third-order derivative of the shape function, and the mesh-free computational scheme is establish for beams. The coupled stress theory is introduced to describe themore » special constitutive response of the layered rock mass in which the bending effect of thin layer is considered. The strain and the curvature are directly interpolated with the nodal variables, and the mesh-free method is established for the layered rock mass. The good computational efficiency is achieved based on the developed mesh-free method, and some key issues are discussed.« less

Additive manufacturing of patient-specific tubular continuum manipulators

NASA Astrophysics Data System (ADS)

Amanov, Ernar; Nguyen, Thien-Dang; Burgner-Kahrs, Jessica

2015-03-01

Tubular continuum robots, which are composed of multiple concentric, precurved, elastic tubes, provide more dexterity than traditional surgical instruments at the same diameter. The tubes can be precurved such that the resulting manipulator fulfills surgical task requirements. Up to now the only material used for the component tubes of those manipulators is NiTi, a super-elastic shape-memory alloy of nickel and titan. NiTi is a cost-intensive material and fabrication processes are complex, requiring (proprietary) technology, e.g. for shape setting. In this paper, we evaluate component tubes made of 3 different thermoplastic materials (PLA, PCL and nylon) using fused filament fabrication technology (3D printing). This enables quick and cost-effective production of custom, patient-specific continuum manipulators, produced on site on demand. Stress-strain and deformation characteristics are evaluated experimentally for 16 fabricated tubes of each thermoplastic with diameters and shapes equivalent to those of NiTi tubes. Tubes made of PCL and nylon exhibit properties comparable to those made of NiTi. We further demonstrate a tubular continuum manipulator composed of 3 nylon tubes in a transnasal, transsphenoidal skull base surgery scenario in vitro.

Discrete and continuum modelling of soil cutting

NASA Astrophysics Data System (ADS)

Coetzee, C. J.

2014-12-01

Both continuum and discrete methods are used to investigate the soil cutting process. The Discrete Element Method ( dem) is used for the discrete modelling and the Material-Point Method ( mpm) is used for continuum modelling. M pmis a so-called particle method or meshless finite element method. Standard finite element methods have difficulty in modelling the entire cutting process due to large displacements and deformation of the mesh. The use of meshless methods overcomes this problem. M pm can model large deformations, frictional contact at the soil-tool interface, and dynamic effects (inertia forces). In granular materials the discreteness of the system is often important and rotational degrees of freedom are active, which might require enhanced theoretical approaches like polar continua. In polar continuum theories, the material points are considered to possess orientations. A material point has three degrees-of-freedom for rigid rotations, in addition to the three classic translational degrees-of-freedom. The Cosserat continuum is the most transparent and straightforward extension of the nonpolar (classic) continuum. Two-dimensional dem and mpm (polar and nonpolar) simulations of the cutting problem are compared to experiments. The drag force and flow patterns are compared using cohesionless corn grains as material. The corn macro (continuum) and micro ( dem) properties were obtained from shear and oedometer tests. Results show that the dilatancy angle plays a significant role in the flow of material but has less of an influence on the draft force. Nonpolar mpm is the most accurate in predicting blade forces, blade-soil interface stresses and the position and orientation of shear bands. Polar mpm fails in predicting the orientation of the shear band, but is less sensitive to mesh size and mesh orientation compared to nonpolar mpm. dem simulations show less material dilation than observed during experiments.

CO and Dust Properties in the TW Hya Disk from High-resolution ALMA Observations

NASA Astrophysics Data System (ADS)

Huang, Jane; Andrews, Sean M.; Cleeves, L. Ilsedore; Öberg, Karin I.; Wilner, David J.; Bai, Xuening; Birnstiel, Til; Carpenter, John; Hughes, A. Meredith; Isella, Andrea; Pérez, Laura M.; Ricci, Luca; Zhu, Zhaohuan

2018-01-01

We analyze high angular resolution ALMA observations of the TW Hya disk to place constraints on the CO and dust properties. We present new, sensitive observations of the 12CO J = 3 ‑ 2 line at a spatial resolution of 8 au (0.″14). The CO emission exhibits a bright inner core, a shoulder at r ≈ 70 au, and a prominent break in slope at r ≈ 90 au. Radiative transfer modeling is used to demonstrate that the emission morphology can be reasonably reproduced with a 12CO column density profile featuring a steep decrease at r ≈ 15 au and a secondary bump peaking at r ≈ 70 au. Similar features have been identified in observations of rarer CO isotopologues, which trace heights closer to the midplane. Substructure in the underlying gas distribution or radially varying CO depletion that affects much of the disk’s vertical extent may explain the shared emission features of the main CO isotopologues. We also combine archival 1.3 mm and 870 μm continuum observations to produce a spectral index map at a spatial resolution of 2 au. The spectral index rises sharply at the continuum emission gaps at radii of 25, 41, and 47 au. This behavior suggests that the grains within the gaps are no larger than a few millimeters. Outside the continuum gaps, the low spectral index values of α ≈ 2 indicate either that grains up to centimeter size are present or that the bright continuum rings are marginally optically thick at millimeter wavelengths.

A comparative study of discrete fracture network and equivalent continuum models for simulating flow and transport in the far field of a hypothetical nuclear waste repository in crystalline host rock

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

Hadgu, Teklu; Karra, Satish; Kalinina, Elena

One of the major challenges of simulating flow and transport in the far field of a geologic repository in crystalline host rock is related to reproducing the properties of the fracture network over the large volume of rock with sparse fracture characterization data. Various approaches have been developed to simulate flow and transport through the fractured rock. The approaches can be broadly divided into Discrete Fracture Network (DFN) and Equivalent Continuum Model (ECM). The DFN explicitly represents individual fractures, while the ECM uses fracture properties to determine equivalent continuum parameters. In this paper, we compare DFN and ECM in termsmore » of upscaled observed transport properties through generic fracture networks. The major effort was directed on making the DFN and ECM approaches similar in their conceptual representations. This allows for separating differences related to the interpretation of the test conditions and parameters from the differences between the DFN and ECM approaches. The two models are compared using a benchmark test problem that is constructed to represent the far field (1 × 1 × 1 km 3) of a hypothetical repository in fractured crystalline rock. The test problem setting uses generic fracture properties that can be expected in crystalline rocks. The models are compared in terms of the: 1) effective permeability of the domain, and 2) nonreactive solute breakthrough curves through the domain. The principal differences between the models are mesh size, network connectivity, matrix diffusion and anisotropy. We demonstrate how these differences affect the flow and transport. Finally, we identify the factors that should be taken in consideration when selecting an approach most suitable for the site-specific conditions.« less

A comparative study of discrete fracture network and equivalent continuum models for simulating flow and transport in the far field of a hypothetical nuclear waste repository in crystalline host rock

DOE PAGES

Hadgu, Teklu; Karra, Satish; Kalinina, Elena; ...

2017-07-28

One of the major challenges of simulating flow and transport in the far field of a geologic repository in crystalline host rock is related to reproducing the properties of the fracture network over the large volume of rock with sparse fracture characterization data. Various approaches have been developed to simulate flow and transport through the fractured rock. The approaches can be broadly divided into Discrete Fracture Network (DFN) and Equivalent Continuum Model (ECM). The DFN explicitly represents individual fractures, while the ECM uses fracture properties to determine equivalent continuum parameters. In this paper, we compare DFN and ECM in termsmore » of upscaled observed transport properties through generic fracture networks. The major effort was directed on making the DFN and ECM approaches similar in their conceptual representations. This allows for separating differences related to the interpretation of the test conditions and parameters from the differences between the DFN and ECM approaches. The two models are compared using a benchmark test problem that is constructed to represent the far field (1 × 1 × 1 km 3) of a hypothetical repository in fractured crystalline rock. The test problem setting uses generic fracture properties that can be expected in crystalline rocks. The models are compared in terms of the: 1) effective permeability of the domain, and 2) nonreactive solute breakthrough curves through the domain. The principal differences between the models are mesh size, network connectivity, matrix diffusion and anisotropy. We demonstrate how these differences affect the flow and transport. Finally, we identify the factors that should be taken in consideration when selecting an approach most suitable for the site-specific conditions.« less

A comparative study of discrete fracture network and equivalent continuum models for simulating flow and transport in the far field of a hypothetical nuclear waste repository in crystalline host rock

NASA Astrophysics Data System (ADS)

Hadgu, Teklu; Karra, Satish; Kalinina, Elena; Makedonska, Nataliia; Hyman, Jeffrey D.; Klise, Katherine; Viswanathan, Hari S.; Wang, Yifeng

2017-10-01

One of the major challenges of simulating flow and transport in the far field of a geologic repository in crystalline host rock is related to reproducing the properties of the fracture network over the large volume of rock with sparse fracture characterization data. Various approaches have been developed to simulate flow and transport through the fractured rock. The approaches can be broadly divided into Discrete Fracture Network (DFN) and Equivalent Continuum Model (ECM). The DFN explicitly represents individual fractures, while the ECM uses fracture properties to determine equivalent continuum parameters. We compare DFN and ECM in terms of upscaled observed transport properties through generic fracture networks. The major effort was directed on making the DFN and ECM approaches similar in their conceptual representations. This allows for separating differences related to the interpretation of the test conditions and parameters from the differences between the DFN and ECM approaches. The two models are compared using a benchmark test problem that is constructed to represent the far field (1 × 1 × 1 km3) of a hypothetical repository in fractured crystalline rock. The test problem setting uses generic fracture properties that can be expected in crystalline rocks. The models are compared in terms of the: 1) effective permeability of the domain, and 2) nonreactive solute breakthrough curves through the domain. The principal differences between the models are mesh size, network connectivity, matrix diffusion and anisotropy. We demonstrate how these differences affect the flow and transport. We identify the factors that should be taken in consideration when selecting an approach most suitable for the site-specific conditions.

Gradual escalation of use-of-force reduces police officer injury.

PubMed

Jetelina, Katelyn K; Reingle Gonzalez, Jennifer M; Bishopp, Stephen A

2018-02-01

To examine how escalation through the force continuum predicts officer injury in the presence of citizen aggression, while controlling for extraneous factors, like citizen and officer characteristics. Cross-sectional data were extracted from 2244 use-of-force reports from the Dallas Police Department in 2015. Multilevel, mixed logistic regression models were used to evaluate the relationship between use of force and officer injury. Multilevel path analysis tested indirect and direct relationships between citizen aggression and officer injury. Results suggest that gradual escalation through the force continuum significantly decreases officer injury when a citizen is actively aggressive (β=-1.06, p value <0.001). Further, non-Hispanic black officers (β=-0.22, p value <0.001) and Hispanic officers (β=-0.08, p value <0.05) are less likely to gradually escalate through the force continuum, due to lower odds of verbal commands (black: OR=0.51, 95% CI 0.39 to 0.68; Hispanic: OR=0.77, 95% CI 0.60 to 0.99) and hard-empty hand control (black: OR=0.58, 95% CI 0.43 to 0.77) compared with white officers. Finally, officers with higher tenure (β=-0.01, p value <0.001) are less likely to gradually escalate through the force continuum. Escalation through the force continuum significantly reduces police officer injury. Future research should assess whether further environmental or situational factors contribute to the strong relationship between use of force and officer injury. Also, reliability and validity testing of use-of-force reports is an imperative direction for future research. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

The 1600 Å Emission Bump in Protoplanetary Disks: A Spectral Signature of H{sub 2}O Dissociation

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

France, Kevin; Roueff, Evelyne; Abgrall, Hervé, E-mail: kevin.france@colorado.edu

The FUV continuum spectrum of many accreting pre-main sequence stars, Classical T Tauri Stars (CTTSs), does not continue smoothly from the well-studied Balmer continuum emission in the NUV, suggesting that additional processes contribute to the short-wavelength emission in these objects. The most notable spectral feature in the FUV continuum of some CTTSs is a broad emission approximately centered at 1600 Å, which has been referred to as the “1600 Å Bump.” The origin of this feature remains unclear. In an effort to better understand the molecular properties of planet-forming disks and the UV spectral properties of accreting protostars, we havemore » assembled archival FUV spectra of 37 disk-hosting systems observed by the Hubble Space Telescope -Cosmic Origins Spectrograph. Clear 1600 Å Bump emission is observed above the smooth, underlying 1100–1800 Å continuum spectrum in 19/37 Classical T Tauri disks in the HST -COS sample, with the detection rate in transition disks (8/8) being much higher than that in primordial or non-transition sources (11/29). We describe a spectral deconvolution analysis to separate the Bump (spanning 1490–1690 Å) from the underlying FUV continuum, finding an average Bump luminosity L (Bump) ≈ 7 × 10{sup 29} erg s{sup −1}. Parameterizing the Bump with a combination of Gaussian and polynomial components, we find that the 1600 Å Bump is characterized by a peak wavelength λ {sub o} = 1598.6 ± 3.3 Å, with FWHM = 35.8 ± 19.1 Å. Contrary to previous studies, we find that this feature is inconsistent with models of H{sub 2} excited by electron -impact. We show that this Bump makes up between 5%–50% of the total FUV continuum emission in the 1490–1690 Å band and emits roughly 10%–80% of the total fluorescent H{sub 2} luminosity for stars with well-defined Bump features. Energetically, this suggests that the carrier of the 1600 Å Bump emission is powered by Ly α photons. We argue that the most likely mechanism is Ly α -driven dissociation of H{sub 2}O in the inner disk, r ≲ 2 au. We demonstrate that non-thermally populated H{sub 2}O fragments can qualitatively account for the observed emission (discrete and continuum) and find that the average Ly α -driven H{sub 2}O dissociation rate is 1.7 × 10{sup 42} water molecules s{sup −1}.« less

Constitutive Modeling of Nanotube/Polymer Composites with Various Nanotube Orientations

NASA Technical Reports Server (NTRS)

Odegard, Gregory M.; Gates, Thomas S.

2002-01-01

In this study, a technique has been proposed for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT) with various orientations with respect to the bulk material coordinates. A nanotube, the local polymer adjacent to the nanotube, and the nanotube/polymer interface have been modeled as an equivalent-continuum fiber by using an equivalent-continuum modeling method. The equivalent-continuum fiber accounts for the local molecular structure and bonding information and serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composite. As an example, the proposed approach is used for the constitutive modeling of a SWNT/LaRC-SI (with a PmPV interface) composite system, with aligned nanotubes, three-dimensionally randomly oriented nanotubes, and nanotubes oriented with varying degrees of axisymmetry. It is shown that the Young s modulus is highly dependent on the SWNT orientation distribution.

Comment on "Route from discreteness to the continuum for the Tsallis q -entropy"

NASA Astrophysics Data System (ADS)

Ou, Congjie; Abe, Sumiyoshi

2018-06-01

Several years ago, it had been discussed that nonlogarithmic entropies, such as the Tsallis q -entropy cannot be applied to systems with continuous variables. Now, in their recent paper [Phys. Rev. E 97, 012104 (2018), 10.1103/PhysRevE.97.012104], Oikonomou and Bagci have modified the form of the q -entropy for discrete variables in such a way that its continuum limit exists. Here, it is shown that this modification violates the expandability property of entropy, and their work is actually supporting evidence for the absence of the q -entropy for systems with continuous variables.

Morphing Continuum Theory: A First Order Approximation to the Balance Laws

NASA Astrophysics Data System (ADS)

Wonnell, Louis; Cheikh, Mohamad Ibrahim; Chen, James

2017-11-01

Morphing Continuum Theory is constructed under the framework of Rational Continuum Mechanics (RCM) for fluid flows with inner structure. This multiscale theory has been successfully emplyed to model turbulent flows. The framework of RCM ensures the mathematical rigor of MCT, but contains new material constants related to the inner structure. The physical meanings of these material constants have yet to be determined. Here, a linear deviation from the zeroth-order Boltzmann-Curtiss distribution function is derived. When applied to the Boltzmann-Curtiss equation, a first-order approximation of the MCT governing equations is obtained. The integral equations are then related to the appropriate material constants found in the heat flux, Cauchy stress, and moment stress terms in the governing equations. These new material properties associated with the inner structure of the fluid are compared with the corresponding integrals, and a clearer physical interpretation of these coefficients emerges. The physical meanings of these material properties is determined by analyzing previous results obtained from numerical simulations of MCT for compressible and incompressible flows. The implications for the physics underlying the MCT governing equations will also be discussed. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-17-1-0154.

Constitutive Modeling of Nanotube-Reinforced Polymer Composites

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Gates, T. S.; Wise, K. E.

2002-01-01

In this study, a technique is presented for developing constitutive models for polymer composite systems reinforced with single-walled carbon nanotubes (SWNT). Because the polymer molecules are on the same size scale as the nanotubes, the interaction at the polymer/nanotube interface is highly dependent on the local molecular structure and bonding. At these small length scales, the lattice structures of the nanotube and polymer chains cannot be considered continuous, and the bulk mechanical properties can no longer be determined through traditional micromechanical approaches that are formulated by using continuum mechanics. It is proposed herein that the nanotube, the local polymer near the nanotube, and the nanotube/polymer interface can be modeled as an effective continuum fiber using an equivalent-continuum modeling method. The effective fiber serves as a means for incorporating micromechanical analyses for the prediction of bulk mechanical properties of SWNT/polymer composites with various nanotube shapes, sizes, concentrations, and orientations. As an example, the proposed approach is used for the constitutive modeling of two SWNT/LaRC-SI (with a PmPV interface) composite systems, one with aligned SWNTs and the other with three-dimensionally randomly oriented SWNTs. The Young's modulus and shear modulus have been calculated for the two systems for various nanotube lengths and volume fractions.

A dynamic response model for pressure sensors in continuum and high Knudsen number flows with large temperature gradients

NASA Technical Reports Server (NTRS)

Whitmore, Stephen A.; Petersen, Brian J.; Scott, David D.

1996-01-01

This paper develops a dynamic model for pressure sensors in continuum and rarefied flows with longitudinal temperature gradients. The model was developed from the unsteady Navier-Stokes momentum, energy, and continuity equations and was linearized using small perturbations. The energy equation was decoupled from momentum and continuity assuming a polytropic flow process. Rarefied flow conditions were accounted for using a slip flow boundary condition at the tubing wall. The equations were radially averaged and solved assuming gas properties remain constant along a small tubing element. This fundamental solution was used as a building block for arbitrary geometries where fluid properties may also vary longitudinally in the tube. The problem was solved recursively starting at the transducer and working upstream in the tube. Dynamic frequency response tests were performed for continuum flow conditions in the presence of temperature gradients. These tests validated the recursive formulation of the model. Model steady-state behavior was analyzed using the final value theorem. Tests were performed for rarefied flow conditions and compared to the model steady-state response to evaluate the regime of applicability. Model comparisons were excellent for Knudsen numbers up to 0.6. Beyond this point, molecular affects caused model analyses to become inaccurate.

Ensuring congruency in multiscale modeling: towards linking agent based and continuum biomechanical models of arterial adaptation.

PubMed

Hayenga, Heather N; Thorne, Bryan C; Peirce, Shayn M; Humphrey, Jay D

2011-11-01

There is a need to develop multiscale models of vascular adaptations to understand tissue-level manifestations of cellular level mechanisms. Continuum-based biomechanical models are well suited for relating blood pressures and flows to stress-mediated changes in geometry and properties, but less so for describing underlying mechanobiological processes. Discrete stochastic agent-based models are well suited for representing biological processes at a cellular level, but not for describing tissue-level mechanical changes. We present here a conceptually new approach to facilitate the coupling of continuum and agent-based models. Because of ubiquitous limitations in both the tissue- and cell-level data from which one derives constitutive relations for continuum models and rule-sets for agent-based models, we suggest that model verification should enforce congruency across scales. That is, multiscale model parameters initially determined from data sets representing different scales should be refined, when possible, to ensure that common outputs are consistent. Potential advantages of this approach are illustrated by comparing simulated aortic responses to a sustained increase in blood pressure predicted by continuum and agent-based models both before and after instituting a genetic algorithm to refine 16 objectively bounded model parameters. We show that congruency-based parameter refinement not only yielded increased consistency across scales, it also yielded predictions that are closer to in vivo observations.

A geohydrologic continuum theory for the spatial and temporal evolution of marsh-estuarine ecosystems

NASA Astrophysics Data System (ADS)

Dame, R.; Childers, D.; Koepfler, E.

Using ecosystem development theory and the River Continuum Concept as starting points, we present a new holistic theory to explain the spatial and temporal behaviour of marsh-estuarine ecosystems Along the marine-estuarine-freshwater gradient in response to sea-level rise. In this theory, a geohydrologic continuum represented by tidal channel provides a predictable physical model of how the marsh-estuarine ecosystem adapts until there is a change of state. North Inlet, South Carolina is used as an example of this marsh-estuarine continuum. Mature creeks are at the ocean-estuary interface and are strongly influenced by marine factors. Further into the estuary, less and less mature creeks are encountered which are dominated by smaller scale spatial and temporal controls such as oyster reefs. Immature or ephemeral creeks import both particulate and dissolved materials, while mature creeks export both forms of nutrients. Mid-aged creeks appear to take up particulate materials and release dissolved constituents. Ultimately, the continuum reaches the fresh-saltwater interface where a very young estuarine ecosystem invades a more mature type, under the influence of disturbance. Our new explanation satisfies most criteria for a good theory by being internally consistent to the location specified, generating testable hypothesis, not blindly adapting existing theories, agreeing with known properties of the ecosystem described and by generating new invigorating discussion within the scientific community.

Numerical simulations of continuum-driven winds of super-Eddington stars

NASA Astrophysics Data System (ADS)

van Marle, A. J.; Owocki, S. P.; Shaviv, N. J.

2008-09-01

We present the results of numerical simulations of continuum-driven winds of stars that exceed the Eddington limit and compare these against predictions from earlier analytical solutions. Our models are based on the assumption that the stellar atmosphere consists of clumped matter, where the individual clumps have a much larger optical thickness than the matter between the clumps. This `porosity' of the stellar atmosphere reduces the coupling between radiation and matter, since photons tend to escape through the more tenuous gas between the clumps. This allows a star that formally exceeds the Eddington limit to remain stable, yet produce a steady outflow from the region where the clumps become optically thin. We have made a parameter study of wind models for a variety of input conditions in order to explore the properties of continuum-driven winds. The results show that the numerical simulations reproduce quite closely the analytical scalings. The mass-loss rates produced in our models are much larger than can be achieved by line driving. This makes continuum driving a good mechanism to explain the large mass-loss and flow speeds of giant outbursts, as observed in η Carinae and other luminous blue variable stars. Continuum driving may also be important in population III stars, since line driving becomes ineffective at low metallicities. We also explore the effect of photon tiring and the limits it places on the wind parameters.

PuMA: the Porous Microstructure Analysis software

NASA Astrophysics Data System (ADS)

Ferguson, Joseph C.; Panerai, Francesco; Borner, Arnaud; Mansour, Nagi N.

2018-01-01

The Porous Microstructure Analysis (PuMA) software has been developed in order to compute effective material properties and perform material response simulations on digitized microstructures of porous media. PuMA is able to import digital three-dimensional images obtained from X-ray microtomography or to generate artificial microstructures. PuMA also provides a module for interactive 3D visualizations. Version 2.1 includes modules to compute porosity, volume fractions, and surface area. Two finite difference Laplace solvers have been implemented to compute the continuum tortuosity factor, effective thermal conductivity, and effective electrical conductivity. A random method has been developed to compute tortuosity factors from the continuum to rarefied regimes. Representative elementary volume analysis can be performed on each property. The software also includes a time-dependent, particle-based model for the oxidation of fibrous materials. PuMA was developed for Linux operating systems and is available as a NASA software under a US & Foreign release.

Bridging a gap between continuum-QCD and ab initio predictions of hadron observables

DOE PAGES

Binosi, Daniele; Chang, Lei; Papavassiliou, Joannis; ...

2015-03-01

Within contemporary hadron physics there are two common methods for determining the momentum- dependence of the interaction between quarks: the top-down approach, which works toward an ab initiocomputation of the interaction via direct analysis of the gauge-sector gap equations; and the bottom-up scheme, which aims to infer the interaction by fitting data within a well-defined truncation of those equations in the matter sector that are relevant to bound-state properties. We unite these two approaches by demonstrating that the renormalisation-group-invariant running-interaction predicted by contemporary analyses of QCD’s gauge sector coincides with that required in order to describe ground-state hadron observables usingmore » a nonperturbative truncation of QCD’s Dyson–Schwinger equations in the matter sector. This bridges a gap that had lain between nonperturbative continuum-QCD and the ab initio prediction of bound-state properties.« less

Monte Carlo simulation of a near-continuum shock-shock interaction problem

NASA Technical Reports Server (NTRS)

Carlson, Ann B.; Wilmoth, Richard G.

1992-01-01

A complex shock interaction is calculated with direct simulation Monte Carlo (DSMC). The calculation is performed for the near-continuum flow produced when an incident shock impinges on the bow shock of a 0.1 in. radius cowl lip for freestream conditions of approximately Mach 15 and 35 km altitude. Solutions are presented both for a full finite-rate chemistry calculation and for a case with chemical reactions suppressed. In each case, both the undisturbed flow about the cowl lip and the full shock interaction flowfields are calculated. Good agreement has been obtained between the no-chemistry simulation of the undisturbed flow and a perfect gas solution obtained with the viscous shock-layer method. Large differences in calculated surface properties when different chemical models are used demonstrate the necessity of adequately representing the chemistry when making surface property predictions. Preliminary grid refinement studies make it possible to estimate the accuracy of the solutions.

Human mobility in a continuum approach.

PubMed

Simini, Filippo; Maritan, Amos; Néda, Zoltán

2013-01-01

Human mobility is investigated using a continuum approach that allows to calculate the probability to observe a trip to any arbitrary region, and the fluxes between any two regions. The considered description offers a general and unified framework, in which previously proposed mobility models like the gravity model, the intervening opportunities model, and the recently introduced radiation model are naturally resulting as special cases. A new form of radiation model is derived and its validity is investigated using observational data offered by commuting trips obtained from the United States census data set, and the mobility fluxes extracted from mobile phone data collected in a western European country. The new modeling paradigm offered by this description suggests that the complex topological features observed in large mobility and transportation networks may be the result of a simple stochastic process taking place on an inhomogeneous landscape.

Human Mobility in a Continuum Approach

PubMed Central

Simini, Filippo; Maritan, Amos; Néda, Zoltán

2013-01-01

Human mobility is investigated using a continuum approach that allows to calculate the probability to observe a trip to any arbitrary region, and the fluxes between any two regions. The considered description offers a general and unified framework, in which previously proposed mobility models like the gravity model, the intervening opportunities model, and the recently introduced radiation model are naturally resulting as special cases. A new form of radiation model is derived and its validity is investigated using observational data offered by commuting trips obtained from the United States census data set, and the mobility fluxes extracted from mobile phone data collected in a western European country. The new modeling paradigm offered by this description suggests that the complex topological features observed in large mobility and transportation networks may be the result of a simple stochastic process taking place on an inhomogeneous landscape. PMID:23555885

11Li Breakup on 208 at energies around the Coulomb barrier.

PubMed

Fernández-García, J P; Cubero, M; Rodríguez-Gallardo, M; Acosta, L; Alcorta, M; Alvarez, M A G; Borge, M J G; Buchmann, L; Diget, C A; Falou, H A; Fulton, B R; Fynbo, H O U; Galaviz, D; Gómez-Camacho, J; Kanungo, R; Lay, J A; Madurga, M; Martel, I; Moro, A M; Mukha, I; Nilsson, T; Sánchez-Benítez, A M; Shotter, A; Tengblad, O; Walden, P

2013-04-05

The inclusive breakup for the (11)Li + (208)Pb reaction at energies around the Coulomb barrier has been measured for the first time. A sizable yield of (9)Li following the (11)Li dissociation has been observed, even at energies well below the Coulomb barrier. Using the first-order semiclassical perturbation theory of Coulomb excitation it is shown that the breakup probability data measured at small angles can be used to extract effective breakup energy as well as the slope of B(E1) distribution close to the threshold. Four-body continuum-discretized coupled-channels calculations, including both nuclear and Coulomb couplings between the target and projectile to all orders, reproduce the measured inclusive breakup cross sections and support the presence of a dipole resonance in the (11)Li continuum at low excitation energy.

Novel characterization method for fibrous materials using non-contact acoustics: material properties revealed by ultrasonic perturbations.

PubMed

Periyaswamy, Thamizhisai; Balasubramanian, Karthikeyan; Pastore, Christopher

2015-02-01

Fibrous materials are unique hierarchical complex structures exhibiting a range of mechanical, thermal, optical and electrical properties. The inherent discontinuity at micro and macro levels, heterogeneity and multi-scale porosity differentiates fibrous materials from other engineering materials that are typically continuum in nature. These structural complexities greatly influence the techniques and modalities that can be applied to characterize fibrous materials. Typically, the material response to an applied external force is measured and used as a characteristic number of the specimen. In general, a range of equipment is in use to obtain these numbers to signify the material properties. Nevertheless, obtaining these numbers for materials like fiber ensembles is often time consuming, destructive, and requires multiple modalities. It is hypothesized that the material response to an applied acoustic frequency would provide a robust alternative characterization mode for rapid and non-destructive material analysis. This research proposes applying air-coupled ultrasonic acoustics to characterize fibrous materials. Ultrasonic frequency waves transmitted through fibrous assemblies were feature extracted to understand the correlation between the applied frequency and the material properties. Mechanical and thermal characteristics were analyzed using ultrasonic features such as time of flight, signal velocity, power and the rate of attenuation of signal amplitude. Subsequently, these temporal and spectral characteristics were mapped with the standard low-stress mechanical and thermal properties via an empirical artificial intelligence engine. A high correlation of >0.92 (S.D. 0.06) was observed between the ultrasonic features and the standard measurements. The proposed ultrasonic technique can be used toward rapid characterization of dynamic behavior of flexible fibrous assemblies. Copyright © 2014 Elsevier B.V. All rights reserved.

Advances In Understanding Solar And Stellar Flares

NASA Astrophysics Data System (ADS)

Kowalski, Adam F.

2016-07-01

Flares result from the sudden reconnection and relaxation of magnetic fields in the coronae of stellar atmospheres. The highly dynamic atmospheric response produces radiation across the electromagnetic spectrum, from the radio to X-rays, on a range of timescales, from seconds to days. New high resolution data of solar flares have revealed the intrinsic spatial properties of the flaring chromosphere, which is thought to be where the majority of the flare energy is released as radiation in the optical and near-UV continua and emission lines. New data of stellar flares have revealed the detailed properties of the broadband (white-light) continuum emission, which provides straightforward constraints for models of the transformation of stored magnetic energy in the corona into thermal energy of the lower atmosphere. In this talk, we discuss the physical processes that produce several important spectral phenomena in the near-ultraviolet and optical as revealed from new radiative-hydrodynamic models of flares on the Sun and low mass stars. We present recent progress with high-flux nonthermal electron beams in reproducing the observed optical continuum color temperature of T 10,000 K and the Balmer jump properties in the near-ultraviolet. These beams produce dense, heated chromospheric condensations, which can explain the shape and strength of the continuum emission in M dwarf flares and the red-wing asymmetries in the chromospheric emission lines in recent observations of solar flares from the Interface Region Imaging Spectrograph. Current theoretical challenges and future modeling directions will be discussed, as well as observational synergies between solar and stellar flares.

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.

3D Progressive Damage Modeling for Laminated Composite Based on Crack Band Theory and Continuum Damage Mechanics

NASA Technical Reports Server (NTRS)

Wang, John T.; Pineda, Evan J.; Ranatunga, Vipul; Smeltzer, Stanley S.

2015-01-01

A simple continuum damage mechanics (CDM) based 3D progressive damage analysis (PDA) tool for laminated composites was developed and implemented as a user defined material subroutine to link with a commercially available explicit finite element code. This PDA tool uses linear lamina properties from standard tests, predicts damage initiation with an easy-to-implement Hashin-Rotem failure criteria, and in the damage evolution phase, evaluates the degradation of material properties based on the crack band theory and traction-separation cohesive laws. It follows Matzenmiller et al.'s formulation to incorporate the degrading material properties into the damaged stiffness matrix. Since nonlinear shear and matrix stress-strain relations are not implemented, correction factors are used for slowing the reduction of the damaged shear stiffness terms to reflect the effect of these nonlinearities on the laminate strength predictions. This CDM based PDA tool is implemented as a user defined material (VUMAT) to link with the Abaqus/Explicit code. Strength predictions obtained, using this VUMAT, are correlated with test data for a set of notched specimens under tension and compression loads.

The limits of the nuclear landscape explored by the relativistic continuum Hartree-Bogoliubov theory

NASA Astrophysics Data System (ADS)

Xia, X. W.; Lim, Y.; Zhao, P. W.; Liang, H. Z.; Qu, X. Y.; Chen, Y.; Liu, H.; Zhang, L. F.; Zhang, S. Q.; Kim, Y.; Meng, J.

2018-05-01

The ground-state properties of nuclei with 8 ⩽ Z ⩽ 120 from the proton drip line to the neutron drip line have been investigated using the spherical relativistic continuum Hartree-Bogoliubov (RCHB) theory with the relativistic density functional PC-PK1. With the effects of the continuum included, there are totally 9035 nuclei predicted to be bound, which largely extends the existing nuclear landscapes predicted with other methods. The calculated binding energies, separation energies, neutron and proton Fermi surfaces, root-mean-square (rms) radii of neutron, proton, matter, and charge distributions, ground-state spins and parities are tabulated. The extension of the nuclear landscape obtained with RCHB is discussed in detail, in particular for the neutron-rich side, in comparison with the relativistic mean field calculations without pairing correlations and also other predicted landscapes. It is found that the coupling between the bound states and the continuum due to the pairing correlations plays an essential role in extending the nuclear landscape. The systematics of the separation energies, radii, densities, potentials and pairing energies of the RCHB calculations are also discussed. In addition, the α-decay energies and proton emitters based on the RCHB calculations are investigated.

IUE observations of two late-type stars Bx Mon (M + pec) and TV Gem (M1 Iab)

NASA Technical Reports Server (NTRS)

Michalitsianos, A. G.; Hobbs, R. W.; Kafatos, M.

1981-01-01

The IUE observations of two late type stars BX Mon and TV Gem that reveal the emission properties in the ultraviolet of subluminous companions are discussed. Analysis of the continuum emission observed from BX Mon suggests the companion, is a middle A III star. High excitation emission lines observed between 1200 A and 2000 A that generally do not typify emission observed in either late M type variables or A type stars are also detected. It is suggested that these strong high excitation lines arise in a large volume of gas heated by nonradiation processes that could be the result of tidal interaction and mass exchange in the binary system. In contrast to stars such as BX Mon, the luminous M1 supergiant TV Gem shows unexpected intense UV continuum throughout the sensitivity range of IUE. The UV spectrum of TV Gem is characterized by intense continuum with broad absorption features detected in the short wavelength range. The analysis shows that the companion could be a B9 or A1 III-IV star. Alternate suggestions are presented for explaining the UV continuum in terms of an accretion disk in association with TV Gem.

On the Validity of Continuum Computational Fluid Dynamics Approach Under Very Low-Pressure Plasma Spray Conditions

NASA Astrophysics Data System (ADS)

Ivchenko, Dmitrii; Zhang, Tao; Mariaux, Gilles; Vardelle, Armelle; Goutier, Simon; Itina, Tatiana E.

2018-01-01

Plasma spray physical vapor deposition aims to substantially evaporate powders in order to produce coatings with various microstructures. This is achieved by powder vapor condensation onto the substrate and/or by deposition of fine melted powder particles and nanoclusters. The deposition process typically operates at pressures ranging between 10 and 200 Pa. In addition to the experimental works, numerical simulations are performed to better understand the process and optimize the experimental conditions. However, the combination of high temperatures and low pressure with shock waves initiated by supersonic expansion of the hot gas in the low-pressure medium makes doubtful the applicability of the continuum approach for the simulation of such a process. This work investigates (1) effects of the pressure dependence of thermodynamic and transport properties on computational fluid dynamics (CFD) predictions and (2) the validity of the continuum approach for thermal plasma flow simulation under very low-pressure conditions. The study compares the flow fields predicted with a continuum approach using CFD software with those obtained by a kinetic-based approach using a direct simulation Monte Carlo method (DSMC). It also shows how the presence of high gradients can contribute to prediction errors for typical PS-PVD conditions.

A spectroscopic analysis of a sample of narrow-line Seyfert 1 galaxies selected from the Sloan Digital Sky Survey

NASA Astrophysics Data System (ADS)

Cracco, V.; Ciroi, S.; Berton, M.; Di Mille, F.; Foschini, L.; La Mura, G.; Rafanelli, P.

2016-10-01

We revisited the spectroscopic characteristics of narrow-line Seyfert 1 galaxies (NLS1s) by analysing a homogeneous sample of 296 NLS1s at redshift between 0.028 and 0.345, extracted from the Sloan Digital Sky Survey (SDSS-DR7) public archive. We confirm that NLS1s are mostly characterized by Balmer lines with Lorentzian profiles, lower black hole masses and higher Eddington ratios than classic broad-line Seyfert 1 (BLS1s), but they also appear to be active galactic nuclei (AGNs) contiguous with BLS1s and sharing with them common properties. Strong Fe II emission does not seem to be a distinctive property of NLS1s, as low values of Fe II/Hβ are equally observed in these AGNs. Our data indicate that Fe II and Ca II kinematics are consistent with the one of Hβ. On the contrary, O I λ8446 seems to be systematically narrower and it is likely emitted by gas of the broad-line region more distant from the ionizing source and showing different physical properties. Finally, almost all NLS1s of our sample show radial motions of the narrow-line region highly ionized gas. The mechanism responsible for this effect is not yet clear, but there are hints that very fast outflows require high continuum luminosities (>1044 erg s-1) or high Eddington ratios (log (Lbol/LEdd) > -0.1).

Strong Coupling Continuum QCD

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

Pennington, M. R.

2011-05-23

The Schwinger-Dyson, Bethe-Salpeter system of equations are the link between coloured quarks and gluons, and colourless hadrons and their properties. This talk reviews some aspects of these studies from the infrared behaviour of ghosts to the prediction of electromagnetic form-factors.

Strong Coupling Continuum QCD

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

Michael Pennington

2011-05-01

The Schwinger-Dyson, Bethe-Salpeter system of equations are the link between coloured quarks and gluons, and colourless hadrons and their properties. This talk reviews some aspects of these studies from the infrared behaviour of ghosts to the prediction of electromagnetic form-factors.

Using visible and near-infrared diffuse reflectance spectroscopy for predicting soil properties based on regression with peaks parameters as derived from continuum-removed spectra

NASA Astrophysics Data System (ADS)

Vasat, Radim; Klement, Ales; Jaksik, Ondrej; Kodesova, Radka; Drabek, Ondrej; Boruvka, Lubos

2014-05-01

Visible and near-infrared diffuse reflectance spectroscopy (VNIR-DRS) provides a rapid and inexpensive tool for simultaneous prediction of a variety of soil properties. Usually, some sophisticated multivariate mathematical or statistical methods are employed in order to extract the required information from the raw spectra measurement. For this purpose especially the Partial least squares regression (PLSR) and Support vector machines (SVM) are the most frequently used. These methods generally benefit from the complexity with which the soil spectra are treated. But it is interesting that also techniques that focus only on a single spectral feature, such as a simple linear regression with selected continuum-removed spectra (CRS) characteristic (e.g. peak depth), can often provide competitive results. Therefore, we decided to enhance the potential of CRS taking into account all possible CRS peak parameters (area, width and depth) and develop a comprehensive methodology based on multiple linear regression approach. The eight considered soil properties were oxidizable carbon content (Cox), exchangeable (pHex) and active soil pH (pHa), particle and bulk density, CaCO3 content, crystalline and amorphous (Fed) and amorphous Fe (Feox) forms. In four cases (pHa, bulk density, Fed and Feox), of which two (Fed and Feox) were predicted reliably accurately (0.50 < R2cv < 0.80) and the other two (pHa and bulk density) only poorly (R2cv < 0.50), we obtained slightly better results than with PLSR and SVM. In one case (pHex) we achieved a significantly higher, although just reliable, accuracy (R2cv = 0.601) than with PLSR and SVM (R2cv = 0.448 and 0.442, resp.). But most interestingly, in the case of particle density, the presented approach outperformed the PLSR and SVM dramatically offering a fairly accurate prediction (R2cv = 0.827) against two failures (R2cv = 0.034 and 0.121 for PLSR and SVM, resp.). In last two cases (Cox and CaCO3) a slightly worse results were achieved then with PLSR and SVM with overall fairly accurate prediction (R2cv > 0.80). Acknowledgment: Authors acknowledge the financial support of the Ministry of Agriculture of the Czech Republic (grant No. QJ1230319).

Modeling property evolution of container materials used in nuclear waste storage

NASA Astrophysics Data System (ADS)

Li, Dongsheng; Garmestani, Hamid; Khaleel, Moe; Sun, Xin

2010-03-01

Container materials under irradiation for a long time will raise high energy in the structure to generate critical structural damage. This study investigated what kind of mesoscale microstructure will be more resistant to radiation damage. Mechanical properties evolution during irradiation was modeled using statistical continuum mechanics. Preliminary results also showed how to achieve the desired microstructure with higher resistance to radiation.

Solid sampling high-resolution continuum source graphite furnace atomic absorption spectrometry for gold determination in geological samples after preconcentration onto carbon nanotubes

NASA Astrophysics Data System (ADS)

Dobrowolski, Ryszard; Mróz, Agnieszka; Dąbrowska, Marzena; Olszański, Piotr

2017-06-01

A novelty method for the determination of gold in geological samples by solid sampling high-resolution continuum source graphite furnace atomic absorption spectrometry (SS HR CS GF AAS) after solid-phase extraction onto modified carbon nanotubes (CNT) was described. The methodology developed is based on solid phase extraction of Au(III) ions from digested samples to eliminate strong interference caused by iron compounds and problems related to inhomogeneities of the samples. The use of aqueous or solid standard for calibration was studied and the slope of calibration curve was the same for both of these modes. This statement indicates the possibility to perform the calibration of the method using aqueous standard solutions. Under optimum conditions the absolute detection limit for gold was equal to 2.24 · 10- 6 μg g- 1 while the adsorption capacity of modified carbon nanotubes was 264 mg g- 1. The proposed procedure was validated by the application of certified reference materials (CRMs) with different content of gold and different matrix, the results were in good agreement with certified values. The method was successfully applied for separation and determination of gold ions in complex geological samples, with precision generally better than 8%.

Energy dispersive X-ray fluorescence determination of cadmium in uranium matrix using Cd Kα line excited by continuum

NASA Astrophysics Data System (ADS)

Dhara, Sangita; Misra, N. L.; Aggarwal, S. K.; Venugopal, V.

2010-06-01

An energy dispersive X-ray fluorescence method for determination of cadmium (Cd) in uranium (U) matrix using continuum source of excitation was developed. Calibration and sample solutions of cadmium, with and without uranium were prepared by mixing different volumes of standard solutions of cadmium and uranyl nitrate, both prepared in suprapure nitric acid. The concentration of Cd in calibration solutions and samples was in the range of 6 to 90 µg/mL whereas the concentration of Cd with respect to U ranged from 90 to 700 µg/g of U. From the calibration solutions and samples containing uranium, the major matrix uranium was selectively extracted using 30% tri-n-butyl phosphate in dodecane. Fixed volumes (1.5 mL) of aqueous phases thus obtained were taken directly in specially designed in-house fabricated leak proof Perspex sample cells for the energy dispersive X-ray fluorescence measurements and calibration plots were made by plotting Cd Kα intensity against respective Cd concentration. For the calibration solutions not having uranium, the energy dispersive X-ray fluorescence spectra were measured without any extraction and Cd calibration plots were made accordingly. The results obtained showed a precision of 2% (1 σ) and the results deviated from the expected values by < 4% on average.

Continuum damage model for ferroelectric materials and its application to multilayer actuators

NASA Astrophysics Data System (ADS)

Gellmann, Roman; Ricoeur, Andreas

2016-05-01

In this paper a micromechanical continuum damage model for ferroelectric materials is presented. As a constitutive law it is implemented into a finite element (FE) code. The model is based on micromechanical considerations of domain switching and its interaction with microcrack growth and coalescence. A FE analysis of a multilayer actuator is performed, showing the initiation of damage zones at the electrode tips during the poling process. Further, the influence of mechanical pre-stressing on damage evolution and actuating properties is investigated. The results provided in this work give useful information on the damage of advanced piezoelectric devices and their optimization.

Literature Reviews on Modeling Internal Geometry of Textile Composites and Rate-Independent Continuum Damage

NASA Technical Reports Server (NTRS)

Su-Yuen, Hsu

2011-01-01

Textile composite materials have good potential for constructing composite structures where the effects of three-dimensional stresses are critical or geometric complexity is a manufacturing concern. There is a recent interest in advancing competence within Langley Research Center for modeling the degradation of mechanical properties of textile composites. In an initial effort, two critical areas are identified to pursue: (1) Construction of internal geometry of textile composites, and (2) Rate-independent continuum damage mechanics. This report documents reviews on the two subjects. Various reviewed approaches are categorized, their assumptions, methods, and progress are briefed, and then critiques are presented. Each review ends with recommended research.

Prognostic heterogeneity of diastolic abnormalities along left ventricular remodeling continuum according to survival rates and laser polarimetry of blood

NASA Astrophysics Data System (ADS)

Boychuk, T. M.; Ivashchuk, O. I.; Kolomoiets, M. Y.; Mikhaliev, K. O.; Chursina, T. Y.

2011-09-01

The results of examination of 35 arterial hypertension and coronary heart disease patients are presented. The clinical, paraclinical and echocardiographic examinations were performed, and the parameters of prognosis (survival) according to Seattle Heart Failure Model, as well as the optical (polarimetric) properties of erythrocytic suspension were determined. The group of patients under examination was stratified by patterns of remodeling of left ventricle (LV). It was determined that increasing of anisotropy of erythrocytic suspension along LV remodeling patterns continuum correlates with aggravation of structural and functional state of LV and is associated with unfavorable prognosis.

Observations of cataclysmic variables with IUE

NASA Technical Reports Server (NTRS)

Hartmann, L.; Raymond, J.

1981-01-01

Observations are reported of the cataclysmic variables AN UMa, 2AO311-227, VV Pup, DQ Her, and GK Per. Continuum emission was detected in the short wavelength region in DQ Her. This object exhibits a quasi-blackbody spectrum at short wavelengths, such blackbody components are a common property of the variables AM Her, SS Cyg, and U Gem, suggesting an underlying similarity in the activity of these diverse systems. Flat continuum components at longer wavelengths in general are not compatible with standard disk models. The emission line ratios in AE Aqr are anomalous in that C IV is absent to a very low level relative to N V.

Modes of interconnected lattice trusses using continuum models, part 1

NASA Technical Reports Server (NTRS)

Balakrishnan, A. V.

1991-01-01

This represents a continuing systematic attempt to explore the use of continuum models--in contrast to the Finite Element Models currently universally in use--to develop feedback control laws for stability enhancement of structures, particularly large structures, for deployment in space. We shall show that for the control objective, continuum models do offer unique advantages. It must be admitted of course that developing continuum models for arbitrary structures is no easy task. In this paper we take advantage of the special nature of current Large Space Structures--typified by the NASA-LaRC Evolutionary Model which will be our main concern--which consists of interconnected orthogonal lattice trusses each with identical bays. Using an equivalent one-dimensional Timoshenko beam model, we develop an almost complete continuum model for the evolutionary structure. We do this in stages, beginning only with the main bus as flexible and then going on to make all the appendages also flexible-except for the antenna structure. Based on these models we proceed to develop formulas for mode frequencies and shapes. These are shown to be the roots of the determinant of a matrix of small dimension compared with mode calculations using Finite Element Models, even though the matrix involves transcendental functions. The formulas allow us to study asymptotic properties of the modes and how they evolve as we increase the number of bodies which are treated as flexible. The asymptotics, in fact, become simpler.

Numerical Study of Rarefied Hypersonic Flow Interacting with a Continuum Jet. Degree awarded by Pennsylvania State Univ., Aug. 1999

NASA Technical Reports Server (NTRS)

Glass, Christopher E.

2000-01-01

An uncoupled Computational Fluid Dynamics-Direct Simulation Monte Carlo (CFD-DSMC) technique is developed and applied to provide solutions for continuum jets interacting with rarefied external flows. The technique is based on a correlation of the appropriate Bird breakdown parameter for a transitional-rarefied condition that defines a surface within which the continuum solution is unaffected by the external flow-jet interaction. The method is applied to two problems to assess and demonstrate its validity; one of a jet interaction in the transitional-rarefied flow regime and the other in the moderately rarefied regime. Results show that the appropriate Bird breakdown surface for uncoupling the continuum and non-continuum solutions is a function of a non-dimensional parameter relating the momentum flux and collisionality between the two interacting flows. The correlation is exploited for the simulation of a jet interaction modeled for an experimental condition in the transitional-rarefied flow regime and the validity of the correlation is demonstrated. The uncoupled technique is also applied to an aerobraking flight condition for the Mars Global Surveyor spacecraft with attitude control system jet interaction. Aerodynamic yawing moment coefficients for cases without and with jet interaction at various angles-of-attack were predicted, and results from the present method compare well with values published previously. The flow field and surface properties are analyzed in some detail to describe the mechanism by which the jet interaction affects the aerodynamics.

Associative Algebraic Approach to Logarithmic CFT in the Bulk: The Continuum Limit of the {gl(1|1)} Periodic Spin Chain, Howe Duality and the Interchiral Algebra

NASA Astrophysics Data System (ADS)

Gainutdinov, A. M.; Read, N.; Saleur, H.

2016-01-01

We develop in this paper the principles of an associative algebraic approach to bulk logarithmic conformal field theories (LCFTs). We concentrate on the closed {gl(1|1)} spin-chain and its continuum limit—the {c=-2} symplectic fermions theory—and rely on two technical companion papers, Gainutdinov et al. (Nucl Phys B 871:245-288, 2013) and Gainutdinov et al. (Nucl Phys B 871:289-329, 2013). Our main result is that the algebra of local Hamiltonians, the Jones-Temperley-Lieb algebra JTL N , goes over in the continuum limit to a bigger algebra than {V}, the product of the left and right Virasoro algebras. This algebra, {S}—which we call interchiral, mixes the left and right moving sectors, and is generated, in the symplectic fermions case, by the additional field {S(z,bar{z})≡ S_{αβ} ψ^α(z)bar{ψ}^β(bar{z})}, with a symmetric form {S_{αβ}} and conformal weights (1,1). We discuss in detail how the space of states of the LCFT (technically, a Krein space) decomposes onto representations of this algebra, and how this decomposition is related with properties of the finite spin-chain. We show that there is a complete correspondence between algebraic properties of finite periodic spin chains and the continuum limit. An important technical aspect of our analysis involves the fundamental new observation that the action of JTL N in the {gl(1|1)} spin chain is in fact isomorphic to an enveloping algebra of a certain Lie algebra, itself a non semi-simple version of {sp_{N-2}}. The semi-simple part of JTL N is represented by {U sp_{N-2}}, providing a beautiful example of a classical Howe duality, for which we have a non semi-simple version in the full JTL N image represented in the spin-chain. On the continuum side, simple modules over {S} are identified with "fundamental" representations of {sp_∞}.

On the transverse-traceless projection in lattice simulations of gravitational wave production

NASA Astrophysics Data System (ADS)

Figueroa, Daniel G.; García-Bellido, Juan; Rajantie, Arttu

2011-11-01

It has recently been pointed out that the usual procedure employed in order to obtain the transverse-traceless (TT) part of metric perturbations in lattice simulations was inconsistent with the fact that those fields live in the lattice and not in the continuum. It was claimed that this could lead to a larger amplitude and a wrong shape for the gravitational wave (GW) spectra obtained in numerical simulations of (p)reheating. In order to address this issue, we have defined a consistent prescription in the lattice for extracting the TT part of the metric perturbations. We demonstrate explicitly that the GW spectra obtained with the old continuum-based TT projection only differ marginally in amplitude and shape with respect to the new lattice-based ones. We conclude that one can therefore trust the predictions appearing in the literature on the spectra of GW produced during (p)reheating and similar scenarios simulated on a lattice.

Comparative study on predicting Young's modulus of graphene sheets using nano-scale continuum mechanics approach

NASA Astrophysics Data System (ADS)

Rafiee, Roham; Eskandariyun, Amirali

2017-06-01

In this research, nano-scale continuum modeling is employed to predict Young's modulus of graphene sheet. The lattice nano-structure of a graphene sheet is replaced with a discrete space-frame structure simulating carbon-carbon bonds with either beam or spring elements. A comparative study is carried out to check the influence of employed elements on estimated Young's moduli of graphene sheets in both horizontal and vertical directions. A detailed analysis is also conducted to investigate the influence of graphene sheet sizes on its Young's modulus and corresponding aspect ratios that unwelcomed end effects disappear on the results are extracted. At the final stage, defected graphene sheets suffering from vacancy defects are investigated through a stochastic analysis taking into account both number of defects and their locations as random parameters. The reduction level in the Young's moduli of defected graphene sheets compared with non-defected ones is analyzed and reported.

The 1600 Å Emission Bump in Protoplanetary Disks: A Spectral Signature of H2O Dissociation

NASA Astrophysics Data System (ADS)

France, Kevin; Roueff, Evelyne; Abgrall, Hervé

2017-08-01

The FUV continuum spectrum of many accreting pre-main sequence stars, Classical T Tauri Stars (CTTSs), does not continue smoothly from the well-studied Balmer continuum emission in the NUV, suggesting that additional processes contribute to the short-wavelength emission in these objects. The most notable spectral feature in the FUV continuum of some CTTSs is a broad emission approximately centered at 1600 Å, which has been referred to as the “1600 Å Bump.” The origin of this feature remains unclear. In an effort to better understand the molecular properties of planet-forming disks and the UV spectral properties of accreting protostars, we have assembled archival FUV spectra of 37 disk-hosting systems observed by the Hubble Space Telescope-Cosmic Origins Spectrograph. Clear 1600 Å Bump emission is observed above the smooth, underlying 1100-1800 Å continuum spectrum in 19/37 Classical T Tauri disks in the HST-COS sample, with the detection rate in transition disks (8/8) being much higher than that in primordial or non-transition sources (11/29). We describe a spectral deconvolution analysis to separate the Bump (spanning 1490-1690 Å) from the underlying FUV continuum, finding an average Bump luminosity L(Bump) ≈ 7 × 1029 erg s-1. Parameterizing the Bump with a combination of Gaussian and polynomial components, we find that the 1600 Å Bump is characterized by a peak wavelength λ o = 1598.6 ± 3.3 Å, with FWHM = 35.8 ± 19.1 Å. Contrary to previous studies, we find that this feature is inconsistent with models of H2 excited by electron -impact. We show that this Bump makes up between 5%-50% of the total FUV continuum emission in the 1490-1690 Å band and emits roughly 10%-80% of the total fluorescent H2 luminosity for stars with well-defined Bump features. Energetically, this suggests that the carrier of the 1600 Å Bump emission is powered by Lyα photons. We argue that the most likely mechanism is Lyα-driven dissociation of H2O in the inner disk, r ≲ 2 au. We demonstrate that non-thermally populated H2O fragments can qualitatively account for the observed emission (discrete and continuum) and find that the average Lyα-driven H2O dissociation rate is 1.7 × 1042 water molecules s-1. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Science Institute. STScI is operated by the Association of Universities for Research in Astronomy, Inc. under NASA contract NAS 5-26555.

Constitutive response of passivated copper films to thermal cycling

NASA Astrophysics Data System (ADS)

Shen, Y.-L.; Ramamurty, U.

2003-02-01

The thermomechanical behavior of passivated thin copper films is studied. Stresses in copper films of thickness ranging from 125 to 1000 nm, deposited on quartz or silicon substrates and passivated with silicon oxide, were measured using the curvature method. The thermal cycling spans a temperature range from -196 to 600 °C. The measured mechanical behavior was found to be rate insensitive within the heating/cooling rate range of 5-25 °C/min. It was observed that the passivated films do not exhibit a significant stress relaxation at elevated temperatures that is normally found in unpassivated films. Furthermore, a significant strain hardening during the course of thermal loading was noted. Simple continuum plasticity analyses show that the experimentally measured stress-temperature response can only be rationalized with a kinematic hardening model. Analytical procedures for extracting the constitutive properties of the films that were developed on the basis of such a model are presented. The initial yield strength is higher and tends to be less temperature dependent in thinner films. The strain hardening rate is found to increase with decreasing film thickness.

Local measurement of thermal conductivity and diffusivity.

PubMed

Hurley, David H; Schley, Robert S; Khafizov, Marat; Wendt, Brycen L

2015-12-01

Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness for extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representatives of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agreed closely with the literature values. A distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.

Berry phases emerging from the π-flux state

NASA Astrophysics Data System (ADS)

Tanaka, Akihiro; Hu, Xiao

2005-03-01

We derive a new effective action describing fluctuations around the Affleck-Marston π-flux mean-field solution of the 2d Heisenberg antiferromagnet. The 5-dimensional Clifford algebra inherent in the Dirac fermion obtained as the continuum limit of the π-flux state is found to sustain a bulit-in competition between antiferromagnet (AF) and valence-bond-solid (VBS) orders. This naturally leads us to cast both orderings as components of a 5 component vectorial field v, for which we obtain an O(5) nonlinear sigma model with a novel Wess- Zumino (WZ) term proportional to the Mauer-Cartan form 0^1 dtd^3 x v dv dv dv dv, with t[0,1] an auxiliary variable which extends v(x) to v(t,x) in such a way that v(t=0,x)≡(0,0,0,0,1) and v(t=1,x)≡v(x) are satisfied. We study properties of Berry phases extracted from this WZ term, and recover in particular the AF hedgehog Berry phases (with a VBS core) which are central to recent studies on 2D spin liquids.

Nebular Continuum and Line Emission in Stellar Population Synthesis Models

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

Byler, Nell; Dalcanton, Julianne J.; Conroy, Charlie

Accounting for nebular emission when modeling galaxy spectral energy distributions (SEDs) is important, as both line and continuum emissions can contribute significantly to the total observed flux. In this work, we present a new nebular emission model integrated within the Flexible Stellar Population Synthesis code that computes the line and continuum emission for complex stellar populations using the photoionization code Cloudy. The self-consistent coupling of the nebular emission to the matched ionizing spectrum produces emission line intensities that correctly scale with the stellar population as a function of age and metallicity. This more complete model of galaxy SEDs will improvemore » estimates of global gas properties derived with diagnostic diagrams, star formation rates based on H α , and physical properties derived from broadband photometry. Our models agree well with results from other photoionization models and are able to reproduce observed emission from H ii regions and star-forming galaxies. Our models show improved agreement with the observed H ii regions in the Ne iii/O ii plane and show satisfactory agreement with He ii emission from z = 2 galaxies, when including rotating stellar models. Models including post-asymptotic giant branch stars are able to reproduce line ratios consistent with low-ionization emission regions. The models are integrated into current versions of FSPS and include self-consistent nebular emission predictions for MIST and Padova+Geneva evolutionary tracks.« less

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. ).

Electromagnetic momentum and the energy–momentum tensor in a linear medium with magnetic and dielectric properties

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

Crenshaw, Michael E., E-mail: michael.e.crenshaw4.civ@mail.mil

2014-04-15

In a continuum setting, the energy–momentum tensor embodies the relations between conservation of energy, conservation of linear momentum, and conservation of angular momentum. The well-defined total energy and the well-defined total momentum in a thermodynamically closed system with complete equations of motion are used to construct the total energy–momentum tensor for a stationary simple linear material with both magnetic and dielectric properties illuminated by a quasimonochromatic pulse of light through a gradient-index antireflection coating. The perplexing issues surrounding the Abraham and Minkowski momentums are bypassed by working entirely with conservation principles, the total energy, and the total momentum. We derivemore » electromagnetic continuity equations and equations of motion for the macroscopic fields based on the material four-divergence of the traceless, symmetric total energy–momentum tensor. We identify contradictions between the macroscopic Maxwell equations and the continuum form of the conservation principles. We resolve the contradictions, which are the actual fundamental issues underlying the Abraham–Minkowski controversy, by constructing a unified version of continuum electrodynamics that is based on establishing consistency between the three-dimensional Maxwell equations for macroscopic fields, the electromagnetic continuity equations, the four-divergence of the total energy–momentum tensor, and a four-dimensional tensor formulation of electrodynamics for macroscopic fields in a simple linear medium.« less

Developing an Assessment of Sexual Identity Management for Lesbian and Gay Workers.

ERIC Educational Resources Information Center

Anderson, Mary Z.; Croteau, James M.; DiStefano, Teresa M.; Chung, Y. Barry

2001-01-01

Psychometric properties of the Workplace Sexual Identity Management Measure were tested with 172 professionals. Results suggest it successfully assesses a continuum of lesbian and gay identity management strategies (passing, covering, implicitly out, explicitly out). (Contains 27 references.) (SK)

Properties of the smallest solar magnetic elements. I - Facular contrast near sun center

NASA Technical Reports Server (NTRS)

Topka, K. P.; Tarbell, T. D.; Title, A. M.

1992-01-01

Measurements are presented which indicate that the continuum intensity of facular areas in solar active regions, outside sunspots and pores, is less than that of the quiet sun very near disk center. It is shown that the observed continuum intensity of faculae at disk center near 5000 A is nearly 3 percent less than that of the quiet sun. The continuum contrast increases rapidly away from disk center, reaching +2 percent at 45 deg. The zero-crossing point, where the contrast changes sign, occurs at 20-degree heliocentric angle. This is contrary to many earlier observations. The constraint these observations place on the size of flux tubes depends upon the value of the zero-crossing point. It is proposed that most of the flux tubes in solar faculae may be very small, in the range 50-100 km in diameter, and that inclination from local vertical of about 10 deg at the photosphere is common on the sun. Footpoints of opposite polarity tend to tilt toward one another.

Atomistic to continuum modeling of solidification microstructures

DOE PAGES

Karma, Alain; Tourret, Damien

2015-09-26

We summarize recent advances in modeling of solidification microstructures using computational methods that bridge atomistic to continuum scales. We first discuss progress in atomistic modeling of equilibrium and non-equilibrium solid–liquid interface properties influencing microstructure formation, as well as interface coalescence phenomena influencing the late stages of solidification. The latter is relevant in the context of hot tearing reviewed in the article by M. Rappaz in this issue. We then discuss progress to model microstructures on a continuum scale using phase-field methods. We focus on selected examples in which modeling of 3D cellular and dendritic microstructures has been directly linked tomore » experimental observations. Finally, we discuss a recently introduced coarse-grained dendritic needle network approach to simulate the formation of well-developed dendritic microstructures. The approach reliably bridges the well-separated scales traditionally simulated by phase-field and grain structure models, hence opening new avenues for quantitative modeling of complex intra- and inter-grain dynamical interactions on a grain scale.« less

Photometric redshifts for the next generation of deep radio continuum surveys - I. Template fitting

NASA Astrophysics Data System (ADS)

Duncan, Kenneth J.; Brown, Michael J. I.; Williams, Wendy L.; Best, Philip N.; Buat, Veronique; Burgarella, Denis; Jarvis, Matt J.; Małek, Katarzyna; Oliver, S. J.; Röttgering, Huub J. A.; Smith, Daniel J. B.

2018-01-01

We present a study of photometric redshift performance for galaxies and active galactic nuclei detected in deep radio continuum surveys. Using two multiwavelength data sets, over the NOAO Deep Wide Field Survey Boötes and COSMOS fields, we assess photometric redshift (photo-z) performance for a sample of ∼4500 radio continuum sources with spectroscopic redshifts relative to those of ∼63 000 non-radio-detected sources in the same fields. We investigate the performance of three photometric redshift template sets as a function of redshift, radio luminosity and infrared/X-ray properties. We find that no single template library is able to provide the best performance across all subsets of the radio-detected population, with variation in the optimum template set both between subsets and between fields. Through a hierarchical Bayesian combination of the photo-z estimates from all three template sets, we are able to produce a consensus photo-z estimate that equals or improves upon the performance of any individual template set.

An incompressible two-dimensional multiphase particle-in-cell model for dense particle flows

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

Snider, D.M.; O`Rourke, P.J.; Andrews, M.J.

1997-06-01

A two-dimensional, incompressible, multiphase particle-in-cell (MP-PIC) method is presented for dense particle flows. The numerical technique solves the governing equations of the fluid phase using a continuum model and those of the particle phase using a Lagrangian model. Difficulties associated with calculating interparticle interactions for dense particle flows with volume fractions above 5% have been eliminated by mapping particle properties to a Eulerian grid and then mapping back computed stress tensors to particle positions. This approach utilizes the best of Eulerian/Eulerian continuum models and Eulerian/Lagrangian discrete models. The solution scheme allows for distributions of types, sizes, and density of particles,more » with no numerical diffusion from the Lagrangian particle calculations. The computational method is implicit with respect to pressure, velocity, and volume fraction in the continuum solution thus avoiding courant limits on computational time advancement. MP-PIC simulations are compared with one-dimensional problems that have analytical solutions and with two-dimensional problems for which there are experimental data.« less

WEAK AND COMPACT RADIO EMISSION IN EARLY HIGH-MASS STAR-FORMING REGIONS. I. VLA OBSERVATIONS

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

Rosero, V.; Hofner, P.; Claussen, M.

2016-12-01

We present a high-sensitivity radio continuum survey at 6 and 1.3 cm using the Karl G. Jansky Very Large Array toward a sample of 58 high-mass star-forming regions. Our sample was chosen from dust clumps within infrared dark clouds with and without IR sources (CMC–IRs and CMCs, respectively), and hot molecular cores (HMCs), with no previous, or relatively weak radio continuum detection at the 1 mJy level. Due to the improvement in the continuum sensitivity of the Very Large Array, this survey achieved map rms levels of ∼3–10  μ Jy beam{sup −1} at sub-arcsecond angular resolution. We extracted 70 continuum sourcesmore » associated with 1.2 mm dust clumps. Most sources are weak, compact, and prime candidates for high-mass protostars. Detection rates of radio sources associated with the millimeter dust clumps for CMCs, CMC–IRs, and HMCs are 6%, 53%, and 100%, respectively. This result is consistent with increasing high-mass star formation activity from CMCs to HMCs. The radio sources located within HMCs and CMC–IRs occur close to the dust clump centers, with a median offset from it of 12,000 au and 4000 au, respectively. We calculated 5–25 GHz spectral indices using power-law fits and obtained a median value of 0.5 (i.e., flux increasing with frequency), suggestive of thermal emission from ionized jets. In this paper we describe the sample, observations, and detections. The analysis and discussion will be presented in Paper II.« less

Using the Properties of Broad Absorption Line Quasars to Illuminate Quasar Structure

NASA Astrophysics Data System (ADS)

Yong, Suk Yee; King, Anthea L.; Webster, Rachel L.; Bate, Nicholas F.; O'Dowd, Matthew J.; Labrie, Kathleen

2018-06-01

A key to understanding quasar unification paradigms is the emission properties of broad absorption line quasars (BALQs). The fact that only a small fraction of quasar spectra exhibit deep absorption troughs blueward of the broad permitted emission lines provides a crucial clue to the structure of quasar emitting regions. To learn whether it is possible to discriminate between the BALQ and non-BALQ populations given the observed spectral properties of a quasar, we employ two approaches: one based on statistical methods and the other supervised machine learning classification, applied to quasar samples from the Sloan Digital Sky Survey. The features explored include continuum and emission line properties, in particular the absolute magnitude, redshift, spectral index, line width, asymmetry, strength, and relative velocity offsets of high-ionisation C IV λ1549 and low-ionisation Mg II λ2798 lines. We consider a complete population of quasars, and assume that the statistical distributions of properties represent all angles where the quasar is viewed without obscuration. The distributions of the BALQ and non-BALQ sample properties show few significant differences. None of the observed continuum and emission line features are capable of differentiating between the two samples. Most published narrow disk-wind models are inconsistent with these observations, and an alternative disk-wind model is proposed. The key feature of the proposed model is a disk-wind filling a wide opening angle with multiple radial streams of dense clumps.

On the Helix Propensity in Generalized Born Solvent Descriptions of Modeling the Dark Proteome

DTIC Science & Technology

2017-01-10

benchmarks of conformational sampling methods and their all-atom force fields plus solvent descriptions to accurately model structural transitions on a...atom simulations of proteins is the replacement of explicit water interactions with a continuum description of treating implicitly the bulk physical... structure was reported by Amarasinghe and coworkers (Leung et al., 2015) of the Ebola nucleoprotein NP in complex with a 28-residue peptide extracted

Two-nucleon emitters within a pseudostate method: The case of 6Be and 16Be

NASA Astrophysics Data System (ADS)

Casal, J.

2018-03-01

Background: Since the first experimental observation, two-nucleon radioactivity has gained renewed attention since the early 2000s. The 6Be system is the lightest two-proton ground-state emitter, while 16Be was recently proposed to be the first two-neutron ground-state emitter ever observed. A proper understanding of their properties and decay modes requires a reasonable description of the three-body continuum. Purpose: Study the ground-state properties of 6Be and 16Be within a general three-body model and investigate their nucleon-nucleon correlations in the continuum. Method: The pseudostate (PS) method in hyperspherical coordinates, using the analytical transformed harmonic oscillator (THO) basis for three-body systems, is used to construct the 6Be and 16Be ground-state wave functions. These resonances are approximated as a stable PS around the known two-nucleon separation energy. Effective core-N potentials, constrained by the available experimental information on the binary subsystems 5Li and 15Be, are employed in the calculations. Results: The ground state of 16Be is found to present a strong dineutron configuration, with the valence neutrons occupying mostly an l =2 state relative to the core. The results are consistent with previous R -matrix calculations for the actual continuum. The case of 6Be shows a clear symmetry with respect to its mirror partner, the two-neutron halo 6He: The diproton configuration is dominant, and the valence protons occupy an l =1 orbit. Conclusions: The PS method is found to be a suitable tool in describing the properties of unbound core+N +N ground states. For both 16Be and 6Be, the results are consistent with previous theoretical studies and confirm the dominant dinucleon configuration. This favors the picture of a correlated two-nucleon emission.

Spectral properties of X-ray selected narrow emission line galaxies

NASA Astrophysics Data System (ADS)

Romero-Colmenero, E.

1998-03-01

This thesis reports a study of the X-ray and optical properties of two samples of X-ray selected Narrow Emission Line Galaxies (NELGs), and their comparison with the properties of broad line Active Galactic Nuclei (AGN). One sample (18 NELGs) is drawn from the ROSAT International X-ray Optical Survey (RIXOS), the other (19 NELGs and 33 AGN) from the ROSAT UK Deep Survey. ROSAT multi-channel X-ray spectra have been extracted and fitted with power-law, bremsstrahlung and black body models for the brighter RIXOS sources. In most cases, power-law and bremsstrahlung models provide the best results. The average spectral energy index, alpha, of the RIXOS NELGs is 0.96 +/- 0.07, similar to that of AGN (alpha~1). For the fainter RIXOS NELGs, as well as for all the UK Deep Survey sources, counts in three spectral bands have been extracted and fitted with a power-law model, assuming the Galactic value for N_H. The brighter RIXOS sources demonstrated that the results obtained by these two different extraction and fitting procedures provide consistent results. Two average X-ray spectra, one for the NELGs and another for the AGN, were created from the UK Deep Survey sources. The power-law slope of the average NELG is alpha = 0.45 +/- 0.09, whilst that of the AGN is alpha = 0.96 +/- 0.03. ROSAT X-ray surveys have shown that the fractional surface density of NELGs increases with respect to AGN at faint fluxes (<= 2e-15 ergs cm-2 s-1), thus suggesting that NELGs are important contributors to the residual soft (<2 keV) X-ray background (XRB). Moreover, the spectral slope of this background (alpha~0.4, 1-10 keV) is harder than that of AGN (alpha~1), which are known to contribute most of the XRB at higher flux levels. The work presented in this thesis shows unequivocally for the first time that the integrated spectrum of the faintest NELGs (alpha~0.4) is consistent with that of the soft X-ray background, finally reconciling it with the properties of the sources that are thought to constitute it. Furthermore, by combining both samples of NELGs, I find a tendency for sources at lower fluxes to display harder slopes (95% confidence level), further strengthening the case for NELGs to be major contributors to the XRB at the fainter fluxes. The analysis of optical spectroscopy, obtained on La Palma and Hawaii, shows that NELGs form a very heterogeneous group, made up of a mixture of Seyfert 2, LINER and HII-region like galaxies. Seyfert 2 galaxies are found to possess in general the steepest X-ray slopes. Ways to explain this in the context of the unified model of AGN are discussed. The FWHM of some emission lines (Halpha, Hbeta, [NII]) in the NELGs appears to increase with steepening X-ray spectral slope. In the case of the Balmer lines, this is at variance with what is observed in broad line AGN. The FWHM of the Balmer lines is also correlated to the FWHM of the forbidden lines, indicating that they must originate in regions of similar velocity fields. Unfortunately, the number of sources uniquely classified is not sufficient to investigate these relationships on a source type basis. The optical emission line ratios of a bright RIXOS source (aka Arp 185, NGC 6217), classified as a starburst galaxy in the literature, indicate that this is in fact a weak-[OI] LINER, powered either by emission from hot O stars or by hot stars together with a non-stellar continuum. Spatially resolved spectroscopic analysis suggests that the Balmer emission lines are concentrated in the inner regions of the nucleus, while the forbidden lines arise from a more extended region. Line ratios do not indicate a change in the ionizing continuum of this source with distance from the centre.

Spectral properties of x-ray selected narrow emission line galaxies

NASA Astrophysics Data System (ADS)

Romero Colmenero, Encarnacion

This thesis reports a study of the X-ray and optical properties of two samples of X-ray selected Narrow Emission Line Galaxies (NELGs), and their comparison with the properties of broad line Active Galactic Nuclei (AGN). One sample (18 NELGs) is drawn from the ROSAT International X-ray Optical Survey (RIXOS), the other (19 NELGs and 33 AGN) from the ROSAT UK Deep Survey. ROSAT multi-channel X-ray spectra have been extracted and fitted with power-law, bremsstrahlung and black body models for the brighter RIXOS sources. In most cases, power-law and bremsstrahlung models provide the best results. The average spectral energy index, alpha, of the RIXOS NELGs is 0.96 +/- 0.07, similar to that of AGN (alpha ~ 1). For the fainter RIXOS NELGs, as well as for all the UK Deep Survey sources, counts in three spectral bands have been extracted and fitted with a power-law model, assuming the Galactic value for NH. The brighter RIXOS sources demonstrated that the results obtained by these two different extraction and fitting procedures provide consistent results. Two average X-ray spectra, one for the NELGs and another for the AGN, were created from the UK Deep Survey sources. The power-law spectral slope of the average NELG is S = 0.45 +/- 0.09, whilst that of the AGN is S = 0.96 +/- 0.03. ROSAT X-ray surveys have shown that the fractional surface density of NELGs increases with respect to AGN at faint fluxes (< 2 x 10-15erg cm-2 s -1), thus suggesting that NELGs are important contributors to the residual soft (< 2 keV) X-ray background (XRB). Moreover, the spectral slope of this background (S ~ 0.4, 1-10 keV) is harder than that of AGN (S ~ 1), which are known to contribute most of the XRB at higher flux levels. The work presented in this thesis shows unequivocally for the first time that the integrated spectrum of the faintest NELGs (alpha ~ 0.4) is consistent with that of the soft X-ray background, finally reconciling it with the properties of the sources that are thought to constitute it. Furthermore, by combining both samples of NELGs, I find a tendency for sources at lower fluxes to display harder slopes (95% confidence level), further strengthening the case for NELGs to be major contributors to the XRB at the fainter fluxes. The analysis of optical spectroscopy, obtained on La Palma and Hawaii, shows that NELGs form a very heterogeneous group, made up of a mixture of Seyfert 2, LINER and HII-region like galaxies. Seyfert 2 galaxies are found to possess in general the steepest X-ray slopes. Ways to explain this in the context of the unified model of AGN are discussed. The FWHM of some emission lines (H, [NH]) in the NELGs appears to increase with steepening X-ray spectral slope. In the case of the Balmer lines, this at variance with what is observed in broad line AGN. The FWHM of the Balmer lines is also correlated to the FWHM of the forbidden lines, indicating that they must originate in regions of similar velocity fields. Unfortunately, the number of sources uniquely classified is not sufficient to investigate these relationships on a source type basis. The optical emission line ratios of a bright RIXOS source (aka Arp 185, NGC 6217), classified as a starburst galaxy in the literature, indicate that this is in fact a weak-[OI] LINER, powered either by emission from hot O stars or by hot stars together with a non-stellar continuum. Spatially resolved spectroscopic analysis suggests that the Balmer emission lines are concentrated in the inner regions of the nucleus, while the forbidden lines arise from a more extended region. Line ratios do not indicate a change in the ionizing continuum of this source with distance from the centre.

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

Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan

Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscalemore » materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J.Delph, Remi Dingreville, James W. Foulk III, Robert J. Hardy, Richard Lehoucq, Alejandro Mota,Gregory J. Wagner, Edmund B. Webb III and Xiaowang Zhou. Support for this project was pro-vided by the Enabling Predictive Simulation Investment Area of Sandia's Laboratory DirectedResearch and Development (LDRD) program.5« less

Continuum-kinetic-microscopic model of lung clearance due to core-annular fluid entrainment

PubMed Central

Mitran, Sorin

2013-01-01

The human lung is protected against aspirated infectious and toxic agents by a thin liquid layer lining the interior of the airways. This airway surface liquid is a bilayer composed of a viscoelastic mucus layer supported by a fluid film known as the periciliary liquid. The viscoelastic behavior of the mucus layer is principally due to long-chain polymers known as mucins. The airway surface liquid is cleared from the lung by ciliary transport, surface tension gradients, and airflow shear forces. This work presents a multiscale model of the effect of airflow shear forces, as exerted by tidal breathing and cough, upon clearance. The composition of the mucus layer is complex and variable in time. To avoid the restrictions imposed by adopting a viscoelastic flow model of limited validity, a multiscale computational model is introduced in which the continuum-level properties of the airway surface liquid are determined by microscopic simulation of long-chain polymers. A bridge between microscopic and continuum levels is constructed through a kinetic-level probability density function describing polymer chain configurations. The overall multiscale framework is especially suited to biological problems due to the flexibility afforded in specifying microscopic constituents, and examining the effects of various constituents upon overall mucus transport at the continuum scale. PMID:23729842

The limits of the nuclear landscape explored by the relativistic continuum Hartree–Bogoliubov theory

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

Xia, X. W.; Lim, Y.; Zhao, P. W.

The ground-state properties of nuclei with 8more » $$\\leqslant$$ Z $$\\leqslant$$ 120 from the proton drip line to the neutron drip line have been investigated using the relativistic continuum Hartree-Bogoliubov (RCHB) theory with the relativistic density functional PC-PK1. With the effects of the continuum included, there are totally 9035 nuclei predicted to be bound, which largely extends the existing nuclear landscapes predicted with other methods. The calculated binding energies, separation energies, neutron and proton Fermi surfaces, root-mean-square (rms) radii of neutron, proton, matter, and charge distributions, ground-state spins and parities are tabulated. The extension of the nuclear landscape obtained with RCHB is discussed in detail, in particular for the neutron-rich side, in comparison with the relativistic mean field calculations without pairing correlations and also other predicted landscapes. Here, it is found that the coupling between the bound states and the continuum due to the pairing correlations plays an essential role in extending the nuclear landscape. The systematics of the separation energies, radii, densities, potentials and pairing energies of the RCHB calculations are also discussed. In addition, the α-decay energies and proton emitters based on the RCHB calculations are investigated.« less

Mind the Gap: A Semicontinuum Model for Discrete Electrical Propagation in Cardiac Tissue.

PubMed

Costa, Caroline Mendonca; Silva, Pedro Andre Arroyo; dos Santos, Rodrigo Weber

2016-04-01

Electrical propagation in cardiac tissue is a discrete or discontinuous phenomenon that reflects the complexity of the anatomical structures and their organization in the heart, such as myocytes, gap junctions, microvessels, and extracellular matrix, just to name a few. Discrete models or microscopic and discontinuous models are, so far, the best options to accurately study how structural properties of cardiac tissue influence electrical propagation. These models are, however, inappropriate in the context of large scale simulations, which have been traditionally performed by the use of continuum and macroscopic models, such as the monodomain and the bidomain models. However, continuum models may fail to reproduce many important physiological and physiopathological aspects of cardiac electrophysiology, for instance, those related to slow conduction. In this study, we develop a new mathematical model that combines characteristics of both continuum and discrete models. The new model was evaluated in scenarios of low gap-junctional coupling, where slow conduction is observed, and was able to reproduce conduction block, increase of the maximum upstroke velocity and of the repolarization dispersion. None of these features can be captured by continuum models. In addition, the model overcomes a great disadvantage of discrete models, as it allows variation of the spatial resolution within a certain range.

Continuum-kinetic-microscopic model of lung clearance due to core-annular fluid entrainment

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

Mitran, Sorin, E-mail: mitran@unc.edu

2013-07-01

The human lung is protected against aspirated infectious and toxic agents by a thin liquid layer lining the interior of the airways. This airway surface liquid is a bilayer composed of a viscoelastic mucus layer supported by a fluid film known as the periciliary liquid. The viscoelastic behavior of the mucus layer is principally due to long-chain polymers known as mucins. The airway surface liquid is cleared from the lung by ciliary transport, surface tension gradients, and airflow shear forces. This work presents a multiscale model of the effect of airflow shear forces, as exerted by tidal breathing and cough,more » upon clearance. The composition of the mucus layer is complex and variable in time. To avoid the restrictions imposed by adopting a viscoelastic flow model of limited validity, a multiscale computational model is introduced in which the continuum-level properties of the airway surface liquid are determined by microscopic simulation of long-chain polymers. A bridge between microscopic and continuum levels is constructed through a kinetic-level probability density function describing polymer chain configurations. The overall multiscale framework is especially suited to biological problems due to the flexibility afforded in specifying microscopic constituents, and examining the effects of various constituents upon overall mucus transport at the continuum scale.« less

Continuum-kinetic-microscopic model of lung clearance due to core-annular fluid entrainment

NASA Astrophysics Data System (ADS)

Mitran, Sorin

2013-07-01

The human lung is protected against aspirated infectious and toxic agents by a thin liquid layer lining the interior of the airways. This airway surface liquid is a bilayer composed of a viscoelastic mucus layer supported by a fluid film known as the periciliary liquid. The viscoelastic behavior of the mucus layer is principally due to long-chain polymers known as mucins. The airway surface liquid is cleared from the lung by ciliary transport, surface tension gradients, and airflow shear forces. This work presents a multiscale model of the effect of airflow shear forces, as exerted by tidal breathing and cough, upon clearance. The composition of the mucus layer is complex and variable in time. To avoid the restrictions imposed by adopting a viscoelastic flow model of limited validity, a multiscale computational model is introduced in which the continuum-level properties of the airway surface liquid are determined by microscopic simulation of long-chain polymers. A bridge between microscopic and continuum levels is constructed through a kinetic-level probability density function describing polymer chain configurations. The overall multiscale framework is especially suited to biological problems due to the flexibility afforded in specifying microscopic constituents, and examining the effects of various constituents upon overall mucus transport at the continuum scale.

The limits of the nuclear landscape explored by the relativistic continuum Hartree–Bogoliubov theory

DOE PAGES

Xia, X. W.; Lim, Y.; Zhao, P. W.; ...

2017-11-01

The ground-state properties of nuclei with 8more » $$\\leqslant$$ Z $$\\leqslant$$ 120 from the proton drip line to the neutron drip line have been investigated using the relativistic continuum Hartree-Bogoliubov (RCHB) theory with the relativistic density functional PC-PK1. With the effects of the continuum included, there are totally 9035 nuclei predicted to be bound, which largely extends the existing nuclear landscapes predicted with other methods. The calculated binding energies, separation energies, neutron and proton Fermi surfaces, root-mean-square (rms) radii of neutron, proton, matter, and charge distributions, ground-state spins and parities are tabulated. The extension of the nuclear landscape obtained with RCHB is discussed in detail, in particular for the neutron-rich side, in comparison with the relativistic mean field calculations without pairing correlations and also other predicted landscapes. Here, it is found that the coupling between the bound states and the continuum due to the pairing correlations plays an essential role in extending the nuclear landscape. The systematics of the separation energies, radii, densities, potentials and pairing energies of the RCHB calculations are also discussed. In addition, the α-decay energies and proton emitters based on the RCHB calculations are investigated.« less

Multiscale Modeling of UHTC: Thermal Conductivity

NASA Technical Reports Server (NTRS)

Lawson, John W.; Murry, Daw; Squire, Thomas; Bauschlicher, Charles W.

2012-01-01

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

Optical effects of regolith processes on S asteroids as simulated by laser impulse alteration of ordinary chondrite

NASA Technical Reports Server (NTRS)

Moroz, L. V.; Fisenko, A. V.; Semjonova, L. F.; Pieters, C. M.

1993-01-01

The spectral properties of some powdered chondrites and minerals altered by Isser impulse are studied in order to estimate possible optical effects of regolith processes (micrometeoritic bombardment). Gradual reduction of overall reflectance and spectral contrast, the increase of continuum slope, the increase of spectrally derived olivine/pyroxene ratio and Fs content of orthopyroxene with increasing alteration degree show that regolith processes could affect optical properties of surface material more heavily than has been previously appreciated. Ordinary chondrites (OC's) are known to account for 80 percent of observed meteorite falls, but so far no main belt parent bodies have been identified for these meteorites. S-asteroids resemble OC's spectrally, but are characterized by a steeper red continuum unlike that of OC's and their spectrally derived mineralogies are far outside OC range. Attempts were made to explain the spectral mismatch between OC's and S asteroids by some process, which alters optical properties of uppermost regolith. However, the spectral studies of shocked (black) OC's, gas-rich OC's, melted OC's and synthetic metal-rich regoliths derived from OC's demonstrate that such altered OC materials darken, but do not redden.

Traveling waves in a continuum model of 1D schools

NASA Astrophysics Data System (ADS)

Oza, Anand; Kanso, Eva; Shelley, Michael

2017-11-01

We construct and analyze a continuum model of a 1D school of flapping swimmers. Our starting point is a delay differential equation that models the interaction between a swimmer and its upstream neighbors' wakes, which is motivated by recent experiments in the Applied Math Lab at NYU. We coarse-grain the evolution equations and derive PDEs for the swimmer density and variables describing the upstream wake. We study the equations both analytically and numerically, and find that a uniform density of swimmers destabilizes into a traveling wave. Our model makes a number of predictions about the properties of such traveling waves, and sheds light on the role of hydrodynamics in mediating the structure of swimming schools.

A continuum model for damage evolution in laminated composites

NASA Technical Reports Server (NTRS)

Lo, D. C.; Allen, D. H.; Harris, C. E.

1991-01-01

The accumulation of matrix cracking is examined using continuum damage mechanics lamination theory. A phenomenologically based damage evolutionary relationship is proposed for matrix cracking in continuous fiber reinforced laminated composites. The use of material dependent properties and damage dependent laminate averaged ply stresses in this evolutionary relationship permits its application independently of the laminate stacking sequence. Several load histories are applied to crossply laminates using this model, and the results are compared to published experimental data. The stress redistribution among the plies during the accumulation of matrix damage is also examined. It is concluded that characteristics of the stress redistribution process could assist in the analysis of the progressive failure process in laminated composites.

Structure models: From shell model to ab initio methods. A brief introduction to microscopic theories for exotic nuclei

NASA Astrophysics Data System (ADS)

Bacca, Sonia

2016-04-01

A brief review of models to describe nuclear structure and reactions properties is presented, starting from the historical shell model picture and encompassing modern ab initio approaches. A selection of recent theoretical results on observables for exotic light and medium-mass nuclei is shown. Emphasis is given to the comparison with experiment and to what can be learned about three-body forces and continuum properties.

The secrets of T Pyxidis. I. UV observations

NASA Astrophysics Data System (ADS)

Gilmozzi, R.; Selvelli, P.

2007-01-01

Aims:We study the UV spectral behavior of the recurrent nova T Pyx during 16 years of IUE observations. Methods: We examined both the IUE line-by-line images and the extracted spectra in order to understand the reality and the origin of the observed spectral variations. We compare different extraction methods and their influence on the spectrum of an extended object. Results: The UV continuum of T Pyx has remained nearly constant in slope and intensity over this time interval, without any indication of long-term trends. The reddening determined from the UV data is EB-V=0.25 ± 0.02. The best single-curve fit to the dereddened UV continuum is a power-law distribution ∝λ-2.33. The tail of this curve agrees well with the B, V, and J magnitudes of T Pyx, indicating that the contribution of the secondary star is negligible. One peculiar aspect of T Pyx is that most emission lines (the strongest ones being those of CIV 1550 and HeII 1640) show substantial changes both in intensity and detectability, in contrast to the near constancy of the continuum. Several individual spectra display emission features that are difficult to identify, suggesting a composite spectroscopic system. We tentatively ascribe the origin of these transient emission features either to loops and jets from the irradiated secondary or to moving knots of the surrounding nebula that are (temporarily) projected in front of the system. The inspection of all IUE line-by-line images has led to the detection of emission spikes outside the central strip of the spectrum, which in some cases seem associated to known emission features in the (main) spectrum. A comparison with other ex-novae reveals a surprising similarity to the spectrum of the very-slow nova HR Del, whose white dwarf primary has a mass that is allegedly about one half that of T Pyx.

Long Dynamics Simulations of Proteins Using Atomistic Force Fields and a Continuum Representation of Solvent Effects: Calculation of Structural and Dynamic Properties

PubMed Central

Li, Xianfeng; Hassan, Sergio A.; Mehler, Ernest L.

2006-01-01

Long dynamics simulations were carried out on the B1 immunoglobulin-binding domain of streptococcal protein G (ProtG) and bovine pancreatic trypsin inhibitor (BPTI) using atomistic descriptions of the proteins and a continuum representation of solvent effects. To mimic frictional and random collision effects, Langevin dynamics (LD) were used. The main goal of the calculations was to explore the stability of tens-of-nanosecond trajectories as generated by this molecular mechanics approximation and to analyze in detail structural and dynamical properties. Conformational fluctuations, order parameters, cross correlation matrices, residue solvent accessibilities, pKa values of titratable groups, and hydrogen-bonding (HB) patterns were calculated from all of the trajectories and compared with available experimental data. The simulations comprised over 40 ns per trajectory for ProtG and over 30 ns per trajectory for BPTI. For comparison, explicit water molecular dynamics simulations (EW/MD) of 3 ns and 4 ns, respectively, were also carried out. Two continuum simulations were performed on each protein using the CHARMM program, one with the all-atom PAR22 representation of the protein force field (here referred to as PAR22/LD simulations) and the other with the modifications introduced by the recently developed CMAP potential (CMAP/LD simulations). The explicit solvent simulations were performed with PAR22 only. Solvent effects are described by a continuum model based on screened Coulomb potentials (SCP) reported earlier, i.e., the SCP-based implicit solvent model (SCP–ISM). For ProtG, both the PAR22/LD and the CMAP/LD 40-ns trajectories were stable, yielding Cα root mean square deviations (RMSD) of about 1.0 and 0.8 Å respectively along the entire simulation time, compared to 0.8 Å for the EW/MD simulation. For BPTI, only the CMAP/LD trajectory was stable for the entire 30-ns simulation, with a Cα RMSD of ≈ 1.4 Å, while the PAR22/LD trajectory became unstable early in the simulation, reaching a Cα RMSD of about 2.7 Å and remaining at this value until the end of the simulation; the Cα RMSD of the EW/MD simulation was about 1.5 Å. The source of the instabilities of the BPTI trajectories in the PAR22/LD simulations was explored by an analysis of the backbone torsion angles. To further validate the findings from this analysis of BPTI, a 35-ns SCP–ISM simulation of Ubiquitin (Ubq) was carried out. For this protein, the CMAP/LD simulation was stable for the entire simulation time (Cα RMSD of ≈1.0 Å), while the PAR22/LD trajectory showed a trend similar to that in BPTI, reaching a Cα RMSD of ≈1.5 Å at 7 ns. All the calculated properties were found to be in agreement with the corresponding experimental values, although local deviations were also observed. HB patterns were also well reproduced by all the continuum solvent simulations with the exception of solvent-exposed side chain–side chain (sc–sc) HB in ProtG, where several of the HB interactions observed in the crystal structure and in the EW/MD simulation were lost. The overall analysis reported in this work suggests that the combination of an atomistic representation of a protein with a CMAP/CHARMM force field and a continuum representation of solvent effects such as the SCP–ISM provides a good description of structural and dynamic properties obtained from long computer simulations. Although the SCP–ISM simulations (CMAP/LD) reported here were shown to be stable and the properties well reproduced, further refinement is needed to attain a level of accuracy suitable for more challenging biological applications, particularly the study of protein–protein interactions. PMID:15959866

Spectropolarimetric Observations of Solar Noise Storms at Low Frequencies

NASA Astrophysics Data System (ADS)

Mugundhan, V.; Ramesh, R.; Kathiravan, C.; Gireesh, G. V. S.; Hegde, Aathira

2018-03-01

A new high-resolution radio spectropolarimeter instrument operating in the frequency range of 15 - 85 MHz has recently been commissioned at the Radio Astronomy Field Station of the Indian Institute of Astrophysics at Gauribidanur, 100 km north of Bangalore, India. We describe the design and construction of this instrument. We present observations of a solar radio noise storm associated with Active Region (AR) 12567 in the frequency range of {≈} 15 - 85 MHz during 18 and 19 July 2016, observed using this instrument in the meridian-transit mode. This is the first report that we are aware of in which both the burst and continuum properties are derived simultaneously. Spectral indices and degree of polarization of both the continuum radiation and bursts are estimated. It is found that i) Type I storm bursts have a spectral index of {≈} {+}3.5, ii) the spectral index of the background continuum is ≈+2.9, iii) the transition frequency between Type I and Type III storms occurs at ≈55 MHz, iv) Type III bursts have an average spectral index of ≈-2.7, v) the spectral index of the Type III continuum is ≈-1.6, and vi) the degree of circular polarization of all Type I (Type III) bursts is ≈90% (30%). The results obtained here indicate that the continuum emission is due to bursts occurring in rapid succession. We find that the derived parameters for Type I bursts are consistent with suprathermal electron acceleration theory and those of Type III favor fundamental plasma emission.

Exploring the salt–cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering

PubMed Central

Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar

2017-01-01

There has been significant recent interest in differentiating multicomponent solid forms, such as salts and cocrystals, and, where appropriate, in determining the position of the proton in the X—H⋯A—Y X −⋯H—A +—Y continuum in these systems, owing to the direct relationship of this property to the clinical, regulatory and legal requirements for an active pharmaceutical ingredient (API). In the present study, solid forms of simple cocrystals/salts were investigated by high-field (700 MHz) solid-state NMR (ssNMR) using samples with naturally abundant 15N nuclei. Four model compounds in a series of prototypical salt/cocrystal/continuum systems exhibiting {PyN⋯H—O—}/{PyN+—H⋯O−} hydrogen bonds (Py is pyridine) were selected and prepared. The crystal structures were determined at both low and room temperature using X-ray diffraction. The H-atom positions were determined by measuring the 15N—1H distances through 15N-1H dipolar interactions using two-dimensional inversely proton-detected cross polarization with variable contact-time (invCP-VC) 1H→15N→1H experiments at ultrafast (νR ≥ 60–70 kHz) magic angle spinning (MAS) frequency. It is observed that this method is sensitive enough to determine the proton position even in a continuum where an ambiguity of terminology for the solid form often arises. This work, while carried out on simple systems, has implications in the pharmaceutical industry where the salt/cocrystal/continuum condition of APIs is considered seriously. PMID:28875033

Exploring the salt-cocrystal continuum with solid-state NMR using natural-abundance samples: implications for crystal engineering.

PubMed

Rajput, Lalit; Banik, Manas; Yarava, Jayasubba Reddy; Joseph, Sumy; Pandey, Manoj Kumar; Nishiyama, Yusuke; Desiraju, Gautam R

2017-07-01

There has been significant recent interest in differentiating multicomponent solid forms, such as salts and cocrystals, and, where appropriate, in determining the position of the proton in the X -H⋯ A - Y X - ⋯H- A + - Y continuum in these systems, owing to the direct relationship of this property to the clinical, regulatory and legal requirements for an active pharmaceutical ingredient (API). In the present study, solid forms of simple cocrystals/salts were investigated by high-field (700 MHz) solid-state NMR (ssNMR) using samples with naturally abundant 15 N nuclei. Four model compounds in a series of prototypical salt/cocrystal/continuum systems exhibiting {PyN⋯H-O-}/{PyN + -H⋯O - } hydrogen bonds (Py is pyridine) were selected and prepared. The crystal structures were determined at both low and room temperature using X-ray diffraction. The H-atom positions were determined by measuring the 15 N- 1 H distances through 15 N- 1 H dipolar interactions using two-dimensional inversely proton-detected cross polarization with variable contact-time (invCP-VC) 1 H→ 15 N→ 1 H experiments at ultrafast (ν R ≥ 60-70 kHz) magic angle spinning (MAS) frequency. It is observed that this method is sensitive enough to determine the proton position even in a continuum where an ambiguity of terminology for the solid form often arises. This work, while carried out on simple systems, has implications in the pharmaceutical industry where the salt/cocrystal/continuum condition of APIs is considered seriously.

Plurality in Translation.

ERIC Educational Resources Information Center

Farahzad, Farzaneh

This paper discusses factors contributing to differing translations of the same source text, arguing that translation occurs on a continuum rather than having absolute criteria and procedures. Issues examined include the formal properties of the text, the text's "invariant core of meaning," stability in the semantic elements of the text, the text…

Atomistic Cohesive Zone Models for Interface Decohesion in Metals

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin I.; Saether, Erik; Glaessgen, Edward H.

2009-01-01

Using a statistical mechanics approach, a cohesive-zone law in the form of a traction-displacement constitutive relationship characterizing the load transfer across the plane of a growing edge crack is extracted from atomistic simulations for use within a continuum finite element model. The methodology for the atomistic derivation of a cohesive-zone law is presented. This procedure can be implemented to build cohesive-zone finite element models for simulating fracture in nanocrystalline or ultrafine grained materials.

Mechanics and Physics of Solids, Uncertainy, and the Archetype-Genome Exemplar

NASA Astrophysics Data System (ADS)

Greene, M. Steven

This dissertation argues that the mechanics and physics of solids rely on a fundamental exemplar: the apparent properties of a system depend on the building blocks that comprise it. Building blocks are referred to as archetypes and apparent system properties as the system genome. Three entities are of importance: the archetype properties, the conformation of archetypes, and the properties of interactions activated by that conformation. The combination of these entities into the system genome is called assembly. To show the utility of the archetype-genome exemplar, the dissertation presents the mathematical construction and computational implementation of a new theory for solid mechanics that is a continuum manifestation of the assembly process. The so-called archetype-blending continuum theory aligns the form of globally valid balance laws with physics evolving in a material's composite constitutive response so that, by rethinking conventional micromechanics, the theory accounts naturally for each piece of the genome assembly triplet: archetypes, interactions, and their conformation. With the pieces of the triplet isolated in the theory, materials genome design concepts that separately control microstructure and property may be gleaned from exploration of the constitutive parameter space. A suite of simulations that apply the new theory to polymer nanocomposite materials demonstrate the ability of the theory to predict a robust material genome that includes damping properties, modulus weakening, local strain amplification, and size effects. The dissertation also presents a theoretical assessment of the importance of uncertainty propagation in the archetype-genome exemplar. The findings from a set of computational experiments on instances of a general class of microstructured materials suggest that when overlap occurs between the size of the system geometry and the features of the conformation, material genomes become less certain. Increasing nonuniformity of boundary conditions and the size of random field correlation lengths exacerbate this conclusion. These criteria are combined into a scalar metric used to assess the impact of archetype-level uncertainties on the material genome for general scenarios in solid mechanics. Exemplary benchmark problems include bending in elastoplasticity and instability-induced pattern transition in porous elastomer. The contributions of this dissertation are threefold: (1) the mathematical construction of a new continuum theory for mechanics and physics of solids, (2) implementation of the theory, and (3) theoretical assessment of the scenarios in which material genomes deviate from determinism.

Exploring the early dust-obscured phase of galaxy formation with blind mid-/far-infrared spectroscopic surveys

NASA Astrophysics Data System (ADS)

Bonato, M.; Negrello, M.; Cai, Z.-Y.; De Zotti, G.; Bressan, A.; Lapi, A.; Gruppioni, C.; Spinoglio, L.; Danese, L.

2014-03-01

While continuum imaging data at far-infrared to submillimetre wavelengths have provided tight constraints on the population properties of dusty star-forming galaxies up to high redshifts, future space missions like the Space Infrared Telescope for Cosmology and Astrophysics (SPICA) and ground-based facilities like the Cerro Chajnantor Atacama Telescope (CCAT) will allow detailed investigations of their physical properties via their mid-/far-infrared line emission. We present updated predictions for the number counts and the redshift distributions of star-forming galaxies spectroscopically detectable by these future missions. These predictions exploit a recent upgrade of evolutionary models, that include the effect of strong gravitational lensing, in the light of the most recent Herschel and South Pole Telescope data. Moreover the relations between line and continuum infrared luminosity are re-assessed, considering also differences among source populations, with the support of extensive simulations that take into account dust obscuration. The derived line luminosity functions are found to be highly sensitive to the spread of the line to continuum luminosity ratios. Estimates of the expected numbers of detections per spectral line by SPICA/SpicA FAR-infrared Instrument (SAFARI) and by CCAT surveys for different integration times per field of view at fixed total observing time are presented. Comparing with the earlier estimates by Spinoglio et al. we find, in the case of SPICA/SAFARI, differences within a factor of 2 in most cases, but occasionally much larger. More substantial differences are found for CCAT.

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

An Experimental Approach to Understanding the Optical Effects of Space Weathering

NASA Technical Reports Server (NTRS)

Noble, Sarah K.; Keller, Lindsay P.; Pieters, Carle M.

2007-01-01

The creation and accumulation of nanophase iron (npFe(sup 0)) is the primary mechanism by which spectra of materials exposed to the space environment incur systematic changes referred to as "space weathering." The optical effects of this npFe(sup 0) on lunar soils are well documented. Space weathering though, should occur on the surface of any planetary body that is not protected by an atmosphere. There is no reason to assume that cumulative space weathering products throughout the solar system will be the same as those found in lunar soils. In fact, these products are likely to be very dependent on the specific environmental conditions under which they were produced. We have prepared a suite of analog soils to explore the optical effects of npFe(sup 0). By varying the size and concentration of npFe(sup 0) in the analogs we found significant systematic changes in the Vis/NIR spectral properties of the materials. Smaller npFe(sup 0) (<10 nm in diameter) dramatically reddens spectra in the visible wavelengths while leaving the infrared region largely unaffected. Larger npFe(sup 0) (>40 nm in diameter) lowers the albedo across the Vis/NIR range with little change in the overall shape of the continuum. Intermediate npFe(sup 0) sizes impact the spectra in a distinct pattern that changes with concentration. The products of these controlled experiments have implications for space-weathered material throughout the inner solar system. Our results indicate that the lunar soil continuum is best modeled by npFe(sup 0) particles with bulk properties in the approx.15-25 nm size range. Larger npFe0 grains result in spectra that are similar in shape to the Mercury continuum. The continuum of S-type asteroid spectra appear to be best represented by small amounts of npFe(sup 0) that is similar to, but slightly smaller on average, than the npFe(sup 0) in lunar soils (approx.10-15 nm).

Ultraviolet observations of clusters of Wolf-Rayet stars in the SBm3 galaxy NGC 4214 and Ultraviolet and optical observations of LINER's

NASA Technical Reports Server (NTRS)

Filippenko, Alexei V.

1992-01-01

The purpose of the grant was to obtain and analyze IUE (UV) and ground-based (optical) spectra of the central bar of NGC 4214, which contains several bright H II regions, in order to further explore the properties of the Wolf-Rayet stars in this galaxy. Several spatially distinct regions, with widely different equivalent widths of optical Wolf-Rayet lines, could be sampled by the large IUE entrance aperture. By using newly developed extraction techniques, the spectra of these H II regions could be isolated, and differences in their stellar populations would be systematically studied. Data were obtained with IUE in late February and early March, 1992. Some of the shifts were successful, but a few were not -- apparently the blind offset from the nearby star did not work equally well in all cases. Thus, the signal-to-noise ratio is somewhat lower than we had hoped. This necessitated a more careful extraction of the spectra of individual H II regions from the two-dimensional spectra. (A program that models the point spread function in the spatial direction was used to deblend the distinct H II regions.) The IUE data are currently being analyzed in conjunction with ground-based optical spectra. There appear to be obvious variations in the stellar population over angular scales of only a few arc seconds. The second part of the research performed under this grant was a continuation of a project that uses IUE (UV) and ground-based (optical) spectra to infer the physical conditions in Low-Ionization Nuclear Emission-Line Regions (LINER's). We have obtained spectra of a few key objects that cover a representative range in LINER continuum and emission-line properties. The overall goals are to (1) separate the emission into spatially distinct components, (2) establish whether the observed nuclear ultraviolet continua indicate sufficient photoionizing fluxes to account for the emission lines, (3) determine whether the nuclear emission can be explained by hot stars alone, (4) detect and measure the strengths of UV emission lines, and (5) search for systematic differences in the UV spectra of LINER's whose other properties differ in some respects.

The NREL Spectrum of Clean Energy Innovation - Continuum Magazine | NREL

Science.gov Websites

Laboratory to Marketplace Disruptive innovation is making solar cost competitive with non-renewable energy , Kansas has new energy and a new outlook. Energy Innovation Portal Bridging Information Gap Energy Innovation Portal Bridging Information Gap Database revolutionizes intellectual property transfer from DOE's

Naval College Review. Volume 61, Number 3, Summer 2008

DTIC Science & Technology

2008-06-01

property, and that neither it nor a similar work by the sender has been accepted or is under consideration elsewhere. Permissions Reproduction and...national power and therefore, in modern terminology, reinforce na- tionalism. We have become almost hypnotized by the idea that there is a continuum from

Teaching Social Welfare History and Social Welfare Policy from a Conflict Perspective

ERIC Educational Resources Information Center

Reisch, Michael; Staller, Karen M.

2011-01-01

In schools of social work, policy courses are frequently taught assuming debates occur along a liberal-conservative ideological continuum in which liberals favor equitable distribution of societal benefits and burdens, whereas conservatives emphasize individual political and property rights and personal responsibility. This dichotomous approach…

Free energy functionals for polarization fluctuations: Pekar factor revisited

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

Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parametermore » accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found for the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).« less

Free energy functionals for polarization fluctuations: Pekar factor revisited

DOE PAGES

Dinpajooh, Mohammadhasan; Newton, Marshall D.; Matyushov, Dmitry V.

2017-02-13

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar’s perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parametermore » accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found for the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).« less

The impact of health information technology on cancer care across the continuum: a systematic review and meta-analysis.

PubMed

Tarver, Will L; Menachemi, Nir

2016-03-01

Health information technology (HIT) has the potential to play a significant role in the management of cancer. The purpose of this review is to identify and examine empirical studies that investigate the impact of HIT in cancer care on different levels of the care continuum. Electronic searches were performed in four academic databases. The authors used a three-step search process to identify 122 studies that met specific inclusion criteria. Next, a coding sheet was used to extract information from each included article to use in an analysis. Logistic regression was used to determine study-specific characteristics that were associated with positive findings. Overall, 72.4% of published analyses reported a beneficial effect of HIT. Multivariate analysis found that the impact of HIT differs across the cancer continuum with studies targeting diagnosis and treatment being, respectively, 77 (P = .001) and 39 (P = .039) percentage points less likely to report a beneficial effect when compared to those targeting prevention. In addition, studies targeting HIT to patients were 31 percentage points less likely to find a beneficial effect than those targeting providers (P = .030). Lastly, studies assessing behavior change as an outcome were 41 percentage points less likely to find a beneficial effect (P = .006), while studies targeting decision making were 27 percentage points more likely to find a beneficial effect (P = .034). Based on current evidence, HIT interventions seem to be more successful when targeting physicians, care in the prevention phase of the cancer continuum, and/or decision making. An agenda for future research is discussed. © The Author 2015. Published by Oxford University Press on behalf of the American Medical Informatics Association. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Free energy functionals for polarization fluctuations: Pekar factor revisited.

PubMed

Dinpajooh, Mohammadhasan; Newton, Marshall D; Matyushov, Dmitry V

2017-02-14

The separation of slow nuclear and fast electronic polarization in problems related to electron mobility in polarizable media was considered by Pekar 70 years ago. Within dielectric continuum models, this separation leads to the Pekar factor in the free energy of solvation by the nuclear degrees of freedom. The main qualitative prediction of Pekar's perspective is a significant, by about a factor of two, drop of the nuclear solvation free energy compared to the total (electronic plus nuclear) free energy of solvation. The Pekar factor enters the solvent reorganization energy of electron transfer reactions and is a significant mechanistic parameter accounting for the solvent effect on electron transfer. Here, we study the separation of the fast and slow polarization modes in polar molecular liquids (polarizable dipolar liquids and polarizable water force fields) without relying on the continuum approximation. We derive the nonlocal free energy functional and use atomistic numerical simulations to obtain nonlocal, reciprocal space electronic and nuclear susceptibilities. A consistent transition to the continuum limit is introduced by extrapolating the results of finite-size numerical simulation to zero wavevector. The continuum nuclear susceptibility extracted from the simulations is numerically close to the Pekar factor. However, we derive a new functionality involving the static and high-frequency dielectric constants. The main distinction of our approach from the traditional theories is found in the solvation free energy due to the nuclear polarization: the anticipated significant drop of its magnitude with increasing liquid polarizability does not occur. The reorganization energy of electron transfer is either nearly constant with increasing the solvent polarizability and the corresponding high-frequency dielectric constant (polarizable dipolar liquids) or actually noticeably increases (polarizable force fields of water).

Thermodynamics and combustion modeling

NASA Technical Reports Server (NTRS)

Zeleznik, Frank J.

1986-01-01

Modeling fluid phase phenomena blends the conservation equations of continuum mechanics with the property equations of thermodynamics. The thermodynamic contribution becomes especially important when the phenomena involve chemical reactions as they do in combustion systems. The successful study of combustion processes requires (1) the availability of accurate thermodynamic properties for both the reactants and the products of reaction and (2) the computational capabilities to use the properties. A discussion is given of some aspects of the problem of estimating accurate thermodynamic properties both for reactants and products of reaction. Also, some examples of the use of thermodynamic properties for modeling chemically reacting systems are presented. These examples include one-dimensional flow systems and the internal combustion engine.

Design of materials with prescribed nonlinear properties

NASA Astrophysics Data System (ADS)

Wang, F.; Sigmund, O.; Jensen, J. S.

2014-09-01

We systematically design materials using topology optimization to achieve prescribed nonlinear properties under finite deformation. Instead of a formal homogenization procedure, a numerical experiment is proposed to evaluate the material performance in longitudinal and transverse tensile tests under finite deformation, i.e. stress-strain relations and Poissons ratio. By minimizing errors between actual and prescribed properties, materials are tailored to achieve the target. Both two dimensional (2D) truss-based and continuum materials are designed with various prescribed nonlinear properties. The numerical examples illustrate optimized materials with rubber-like behavior and also optimized materials with extreme strain-independent Poissons ratio for axial strain intervals of εi∈[0.00, 0.30].

The respective roles of bulk friction and slip velocity during a granular mass flow

NASA Astrophysics Data System (ADS)

Staron, Lydie

2016-04-01

Catastrophic granular mass flows form an important natural hazard. Mitigation has motivated numerous studies on the properties of natural granular flows, and in particular, their ability to travel long distances away from the release point. The mobility of granular flows is commonly characterised through the definition of rheological properties and effective friction. Yet, it is widely accepted that the description in term of effective friction may include various lubrication effects, softening at the base of the flow and large slip velocities being a most likely one. In this case, flow bulk properties may obliterate the flow boundary conditions. In this contribution, we investigate how disentangling bulk properties from boundary conditions may improve our understanding of the flow. Using discrete simulations, we induce increasing slip velocities in different flow configurations. We show that increased mobility may be achieved without changing bulk properties. The results are interpreted in terms of a Robin-Navier slip condition and implemented in a continuum Navier-Stokes solver. We quantify the respective role of rheological bulk properties and boundary conditions in the general behaviour of a transient mass flow. We show that omitting the description of boundary conditions leads to misinterpretation of the flow properties. The outcome is discussed in terms of models reliability. References P.-Y. Lagrée et al, The granular column collapse as a continuum: validity of a two-dimensional Navier-Stokes model with the mu(I) rheology, J. Fluid Mech. 686, 378-408 (2011) L. Staron and E. Lajeunesse, Understanding how the volume affects the mobility of dry debris flows, Geophys. Res. Lett. 36, L12402 (2009) L. Staron, Mobility of long-runout rock flows: a discrete numerical investigation, Geophys. J. Int. 172, 455-463 (2008)

Angular resolution and range of dipole-dipole correlations in water

NASA Astrophysics Data System (ADS)

Mathias, Gerald; Tavan, Paul

2004-03-01

We investigate the dipolar correlations in liquid water at angular resolution by molecular-dynamics simulations of a large periodic simulation system containing about 40 000 molecules. Because we are particularly interested in the long-range ordering, we use a simple three-point model for these molecules. The electrostatics is treated both by Ewald summation and by minimum image truncation combined with a reaction field approach. To gain insight into the angular dependence of the simulated dipolar ordering we introduce a suitable expansion of the molecular pair distribution function into a set of two-dimensional correlation functions. We show that these functions enable detailed insights into the shell structure of the dipolar ordering around a given water molecule. For these functions we derive analytical expressions in the particular case in which liquid water is conceived as a dielectric continuum. Comparisons of these continuum models with the correlation functions derived from the simulations yield the key result that liquid water behaves like a continuum dielectric beyond distances of about 15 Å from a given water molecule. We argue that this should be a generic property of water independent of our modeling. By comparison of the results of the two different electrostatics treatments with the continuum description we show that the boundary artifacts occurring in both methods are isotropically distributed and are locally small in the respective boundary regions.

Universal scaling of permeability through the granular-to-continuum transition

NASA Astrophysics Data System (ADS)

Wadsworth, F. B.; Scheu, B.; Heap, M. J.; Kendrick, J. E.; Vasseur, J.; Lavallée, Y.; Dingwell, D. B.

2015-12-01

Magmas fragment forming a transiently granular material, which can weld back to a fluid-continuum. This process results in dramatic changes in the gas-volume fraction of the material, which impacts the gas permeability. We collate published data for the gas-volume fraction and permeability of volcanic and synthetic materials which have undergone this process to different amounts and note that in all cases there exists a discontinuity in the relationship between these two properties. By discriminating data for which good microstructural information are provided, we use simple scaling arguments to collapse the data in both the still-granular, high gas-volume fraction regime and the fluid-continuum low gas-volume fraction regime such that a universal description can be achieved. We use this to argue for the microstructural meaning of the well-described discontinuity between gas-permeability and gas-volume fraction and to infer the controls on the position of this transition between dominantly granular and dominantly fluid-continuum material descriptions. As a specific application, we consider the transiently granular magma transported through and deposited in fractures in more-coherent magmas, thought to be a primary degassing pathway in high viscosity systems. We propose that our scaling coupled with constitutive laws for densification can provide insights into the longevity of such degassing channels, informing sub-surface pressure modelling at such volcanoes.

Adhesion of single- and multi-walled carbon nanotubes to silicon substrate: atomistic simulations and continuum analysis

NASA Astrophysics Data System (ADS)

Yuan, Xuebo; Wang, Youshan

2017-10-01

The radial deformation of carbon nanotubes (CNTs) adhering to a substrate may prominently affect their mechanical and physical properties. In this study, both classical atomistic simulations and continuum analysis are carried out, to investigate the lateral adhesion of single-walled CNTs (SWCNTs) and multi-walled CNTs (MWCNTs) to a silicon substrate. A linear elastic model for analyzing the adhesion of 2D shells to a rigid semi-infinite substrate is constructed in the framework of continuum mechanics. Good agreement is achieved between the cross-section profiles of adhesive CNTs obtained by the continuum model and by the atomistic simulation approach. It is found that the adhesion of a CNT to the silicon substrate is significantly influenced by its initial diameter and the number of walls. CNTs with radius larger than a certain critical radius are deformed radially on the silicon substrate with flat contact regions. With increasing number of walls, the extent of radial deformation of a MWCNT on the substrate decreases dramatically, and the flat contact area reduces—and eventually vanishes—due to increasing equivalent bending stiffness. It is analytically predicted that large-diameter MWCNTs with a large number of walls are likely to ‘stand’ on the silicon substrate. The present work can be useful for understanding the radial deformation of CNTs adhering to a solid planar substrate.

Antibacterial, mechanical, and barrier properties of sago starch film incorporated with Betel leaves extract.

PubMed

Nouri, Leila; Mohammadi Nafchi, Abdorreza

2014-05-01

The antimicrobial, mechanical and barrier properties and light transmission of sago starch film incorporated with different percentage of Betel leaf extract (5%, 10%, 20%, and 30%) were evaluated. With regard to mechanical properties, tensile strength decreased when the percentage of extract increased. Elongation at break (%) and seal strength (N/m) increased with increasing percentage of extract from 5% to 20%, while decreased for films containing 30% extract due to heterogeneity of films in this percentage. With regard to barrier properties, water vapour and oxygen barrier properties decreased in all samples when percentage of the extract increased. Antimicrobial activity of all the films increased against both Gram positive and Gram negative bacteria as percentage of Betel leaf extract increased, except for Psuedomonas aeruginosa, which was not susceptible at any percentage of the extract. Copyright © 2014 Elsevier B.V. All rights reserved.

Finite size effects in the thermodynamics of a free neutral scalar field

NASA Astrophysics Data System (ADS)

Parvan, A. S.

2018-04-01

The exact analytical lattice results for the partition function of the free neutral scalar field in one spatial dimension in both the configuration and the momentum space were obtained in the framework of the path integral method. The symmetric square matrices of the bilinear forms on the vector space of fields in both configuration space and momentum space were found explicitly. The exact lattice results for the partition function were generalized to the three-dimensional spatial momentum space and the main thermodynamic quantities were derived both on the lattice and in the continuum limit. The thermodynamic properties and the finite volume corrections to the thermodynamic quantities of the free real scalar field were studied. We found that on the finite lattice the exact lattice results for the free massive neutral scalar field agree with the continuum limit only in the region of small values of temperature and volume. However, at these temperatures and volumes the continuum physical quantities for both massive and massless scalar field deviate essentially from their thermodynamic limit values and recover them only at high temperatures or/and large volumes in the thermodynamic limit.

Connecting the molecular scale to the continuum scale for diffusion processes in smectite-rich porous media.

PubMed

Bourg, Ian C; Sposito, Garrison

2010-03-15

In this paper, we address the manner in which the continuum-scale diffusive properties of smectite-rich porous media arise from their molecular- and pore-scale features. Our starting point is a successful model of the continuum-scale apparent diffusion coefficient for water tracers and cations, which decomposes it as a sum of pore-scale terms describing diffusion in macropore and interlayer "compartments." We then apply molecular dynamics (MD) simulations to determine molecular-scale diffusion coefficients D(interlayer) of water tracers and representative cations (Na(+), Cs(+), Sr(2+)) in Na-smectite interlayers. We find that a remarkably simple expression relates D(interlayer) to the pore-scale parameter δ(nanopore) ≤ 1, a constrictivity factor that accounts for the lower mobility in interlayers as compared to macropores: δ(nanopore) = D(interlayer)/D(0), where D(0) is the diffusion coefficient in bulk liquid water. Using this scaling expression, we can accurately predict the apparent diffusion coefficients of tracers H(2)0, Na(+), Sr(2+), and Cs(+) in compacted Na-smectite-rich materials.

Photoexcited escape probability, optical gain, and noise in quantum well infrared photodetectors

NASA Technical Reports Server (NTRS)

Levine, B. F.; Zussman, A.; Gunapala, S. D.; Asom, M. T.; Kuo, J. M.; Hobson, W. S.

1992-01-01

We present a detailed and thorough study of a wide variety of quantum well infrared photodetectors (QWIPs), which were chosen to have large differences in their optical and transport properties. Both n- and p-doped QWIPs, as well as intersubband transitions based on photoexcitation from bound-to-bound, bound-to-quasi-continuum, and bound-to-continuum quantum well states were investigated. The measurements and theoretical analysis included optical absorption, responsivity, dark current, current noise, optical gain, hot carrier mean free path; net quantum efficiency, quantum well escape probability, quantum well escape time, as well as detectivity. These results allow a better understanding of the optical and transport physics and thus a better optimization of the QWIP performance.

Emergence of linear elasticity from the atomistic description of matter

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

Cakir, Abdullah, E-mail: acakir@ntu.edu.sg; Pica Ciamarra, Massimo; Dipartimento di Scienze Fisiche, CNR–SPIN, Università di Napoli Federico II, I-80126 Napoli

2016-08-07

We investigate the emergence of the continuum elastic limit from the atomistic description of matter at zero temperature considering how locally defined elastic quantities depend on the coarse graining length scale. Results obtained numerically investigating different model systems are rationalized in a unifying picture according to which the continuum elastic limit emerges through a process determined by two system properties, the degree of disorder, and a length scale associated to the transverse low-frequency vibrational modes. The degree of disorder controls the emergence of long-range local shear stress and shear strain correlations, while the length scale influences the amplitude of themore » fluctuations of the local elastic constants close to the jamming transition.« less

Mechanical and hydraulic properties of rocks related to induced seismicity

USGS Publications Warehouse

Witherspoon, P.A.; Gale, J.E.

1977-01-01

Witherspoon, P.A. and Gale, J.E., 1977. Mechanical and hydraulic properties of rocks related to induced seismicity. Eng. Geol., 11(1): 23-55. The mechanical and hydraulic properties of fractured rocks are considered with regard to the role they play in induced seismicity. In many cases, the mechanical properties of fractures determine the stability of a rock mass. The problems of sampling and testing these rock discontinuities and interpreting their non-linear behavior are reviewed. Stick slip has been proposed as the failure mechanism in earthquake events. Because of the complex interactions that are inherent in the mechanical behavior of fractured rocks, there seems to be no simple way to combine the deformation characteristics of several sets of fractures when there are significant perturbations of existing conditions. Thus, the more important fractures must be treated as individual components in the rock mass. In considering the hydraulic properties, it has been customary to treat a fracture as a parallel-plate conduit and a number of mathematical models of fracture systems have adopted this approach. Non-steady flow in fractured systems has usually been based on a two-porosity model, which assumes the primary (intergranular) porosity contributes only to storage and the secondary (fracture) porosity contributes only to the overall conductivity. Using such a model, it has been found that the time required to achieve quasi-steady state flow in a fractured reservoir is one or two orders of magnitude greater than it is in a homogeneous system. In essentially all of this work, the assumption has generally been made that the fractures are rigid. However, it is clear from a review of the mechanical and hydraulic properties that not only are fractures easily deformed but they constitute the main flow paths in many rock masses. This means that one must consider the interaction of mechanical and hydraulic effects. A considerable amount of laboratory and field data is now available that clearly demonstrates this stress-flow behavior. Two approaches have been used in attempting to numerically model such behavior: (1) continuum models, and (2) discrete models. The continuum approach only needs information as to average values of fracture spacing and material properties. But because of the inherent complexity of fractured rock masses and the corresponding decrease in symmetry, it is difficult to develop an equivalent continuum that will simulate the behavior of the entire system. The discrete approach, on the other hand, requires details of the fracture geometry and material properties of both fractures and rock matrix. The difficulty in obtaining such information has been considered a serious limitation of discrete models, but improved borehole techniques can enable one to obtain the necessary data, at least in shallow systems. The possibility of extending these methods to deeper fracture systems needs more investigation. Such data must be considered when deciding whether to use a continuum or discrete model to represent the interaction of rock and fluid forces in a fractured rock system, especially with regard to the problem of induced seismicity. When one is attempting to alter the pressure distribution in a fault zone by injection or withdrawal of fluids, the extent to which this can be achieved will be controlled in large measure by the behavior of the fractures that communicate with the borehole. Since this is essentially a point phenomenon, i.e., the changes will propagate from a relatively small region around the borehole, the use of a discrete model would appear to be preferable. ?? 1977.

Gamow-Teller Strength in the Continuum Studied via the (p,n) Reaction

NASA Astrophysics Data System (ADS)

Wakasa, T.; Hatanaka, K.; Sakai, H.; Fujita, S.; Nonaka, T.; Ohnishi, T.; Yako, K.; Sekiguchi, K.; Okamura, H.; Otsu, H.; Ishida, S.; Sakamoto, N.; Uesaka, T.; Satou, Y.; Greenfield, M. B.

2002-09-01

The double differential cross sections for θ1ab between 0.0° and 14.7° and the polarization transfer coefficient DNN(0°) for the 27 Al(vec {p},vec {n}) reaction have been measured at a bombarding energy of 295 MeV. A multipole decomposition technique is applied for the cross section data to extract L = 0, 1, 2, and 3 contributions. The Gamow-Teller (GT) strength B(GT) deduced from the L = 0 contribution is compared with the B(GT) values calculated in a full sd shell-model space. The sum of B(GT) values up to 20 MeV excitation is Sβ- = 4.0 ± 0.1 ± 0.1. A fairly large L = 0 contribution is observed in the continuum region up to 50 MeV, which could be in part ascribed to the quenched GT strength. A limit on the effect that the Δ(1232)-isobar nucleon-hole admixture has upon the GT strength is estimated.

DSSPcont: continuous secondary structure assignments for proteins

PubMed Central

Carter, Phil; Andersen, Claus A. F.; Rost, Burkhard

2003-01-01

The DSSP program automatically assigns the secondary structure for each residue from the three-dimensional co-ordinates of a protein structure to one of eight states. However, discrete assignments are incomplete in that they cannot capture the continuum of thermal fluctuations. Therefore, DSSPcont (http://cubic.bioc.columbia.edu/services/DSSPcont) introduces a continuous assignment of secondary structure that replaces ‘static’ by ‘dynamic’ states. Technically, the continuum results from calculating weighted averages over 10 discrete DSSP assignments with different hydrogen bond thresholds. A DSSPcont assignment for a particular residue is a percentage likelihood of eight secondary structure states, derived from a weighted average of the ten DSSP assignments. The continuous assignments have two important features: (i) they reflect the structural variations due to thermal fluctuations as detected by NMR spectroscopy; and (ii) they reproduce the structural variation between many NMR models from one single model. Therefore, functionally important variation can be extracted from a single X-ray structure using the continuous assignment procedure. PMID:12824310

Comparison of the milk-clotting properties of three plant extracts.

PubMed

Mazorra-Manzano, Miguel A; Perea-Gutiérrez, Teresa C; Lugo-Sánchez, María E; Ramirez-Suarez, Juan C; Torres-Llanez, María J; González-Córdova, Aarón F; Vallejo-Cordoba, Belinda

2013-12-01

Several proteases from plant sources have been proposed as milk coagulants, however, limited research has been done on their milk-clotting properties. The effect of temperature on the milk-clotting activity of kiwi fruit, melon and ginger extracts was evaluated, as well as the effects of the different extracts on curd properties. Melon extracts showed high milk-clotting activity over a broad temperature range (45-75 °C) while kiwi fruit and ginger extracts showed high activity over a narrower temperature range, with a maximum at 40 and 63 °C, respectively. Curds produced using kiwi extracts had textural properties comparable with those obtained using commercial rennet, while melon extracts produced a fragile gel and low curd yield. The milk-clotting behavior of the three plant extracts was related to the protease specificity present in these extracts. The kiwi proteases displayed chymosin-like properties and thus hold the best potential for use as a milk coagulant in cheese production. Copyright © 2013 Elsevier Ltd. All rights reserved.

Parameterisation of multi-scale continuum perfusion models from discrete vascular networks.

PubMed

Hyde, Eoin R; Michler, Christian; Lee, Jack; Cookson, Andrew N; Chabiniok, Radek; Nordsletten, David A; Smith, Nicolas P

2013-05-01

Experimental data and advanced imaging techniques are increasingly enabling the extraction of detailed vascular anatomy from biological tissues. Incorporation of anatomical data within perfusion models is non-trivial, due to heterogeneous vessel density and disparate radii scales. Furthermore, previous idealised networks have assumed a spatially repeating motif or periodic canonical cell, thereby allowing for a flow solution via homogenisation. However, such periodicity is not observed throughout anatomical networks. In this study, we apply various spatial averaging methods to discrete vascular geometries in order to parameterise a continuum model of perfusion. Specifically, a multi-compartment Darcy model was used to provide vascular scale separation for the fluid flow. Permeability tensor fields were derived from both synthetic and anatomically realistic networks using (1) porosity-scaled isotropic, (2) Huyghe and Van Campen, and (3) projected-PCA methods. The Darcy pressure fields were compared via a root-mean-square error metric to an averaged Poiseuille pressure solution over the same domain. The method of Huyghe and Van Campen performed better than the other two methods in all simulations, even for relatively coarse networks. Furthermore, inter-compartment volumetric flux fields, determined using the spatially averaged discrete flux per unit pressure difference, were shown to be accurate across a range of pressure boundary conditions. This work justifies the application of continuum flow models to characterise perfusion resulting from flow in an underlying vascular network.

Continuum limit and symmetries of the periodic gℓ(1|1) spin chain

NASA Astrophysics Data System (ADS)

Gainutdinov, A. M.; Read, N.; Saleur, H.

2013-06-01

This paper is the first in a series devoted to the study of logarithmic conformal field theories (LCFT) in the bulk. Building on earlier work in the boundary case, our general strategy consists in analyzing the algebraic properties of lattice regularizations (quantum spin chains) of these theories. In the boundary case, a crucial step was the identification of the space of states as a bimodule over the Temperley-Lieb (TL) algebra and the quantum group Uqsℓ(2). The extension of this analysis in the bulk case involves considerable difficulties, since the Uqsℓ(2) symmetry is partly lost, while the TL algebra is replaced by a much richer version (the Jones-Temperley-Lieb — JTL — algebra). Even the simplest case of the gℓ(1|1) spin chain — corresponding to the c=-2 symplectic fermions theory in the continuum limit — presents very rich aspects, which we will discuss in several papers. In this first work, we focus on the symmetries of the spin chain, that is, the centralizer of the JTL algebra in the alternating tensor product of the gℓ(1|1) fundamental representation and its dual. We prove that this centralizer is only a subalgebra of Uqsℓ(2) at q=i that we dub Uqoddsℓ(2). We then begin the analysis of the continuum limit of the JTL algebra: using general arguments about the regularization of the stress-energy tensor, we identify families of JTL elements going over to the Virasoro generators Ln,L in the continuum limit. We then discuss the sℓ(2) symmetry of the (continuum limit) symplectic fermions theory from the lattice and JTL point of view. The analysis of the spin chain as a bimodule over Uqoddsℓ(2) and JTLN is discussed in the second paper of this series.

Bottom-up modeling of damage in heterogeneous quasi-brittle solids

NASA Astrophysics Data System (ADS)

Rinaldi, Antonio

2013-03-01

The theoretical modeling of multisite cracking in quasi-brittle materials is a complex damage problem, hard to model with traditional methods of fracture mechanics due to its multiscale nature and to strain localization induced by microcracks interaction. Macroscale "effective" elastic models can be conveniently applied if a suitable Helmholtz free energy function is identified for a given material scenario. Del Piero and Truskinovsky (Continuum Mech Thermodyn 21:141-171, 2009), among other authors, investigated macroscale continuum solutions capable of matching—in a top-down view—the phenomenology of the damage process for quasi-brittle materials regardless of the microstructure. On the contrary, this paper features a physically based solution method that starts from the direct consideration of the microscale properties and, in a bottom-up view, recovers a continuum elastic description. This procedure is illustrated for a simple one-dimensional problem of this type, a bar modeled stretched by an axial displacement, where the bar is modeled as a 2D random lattice of decohesive spring elements of finite strength. The (microscale) data from simulations are used to identify the "exact" (macro-) damage parameter and to build up the (macro-) Helmholtz function for the equivalent elastic model, bridging the macroscale approach by Del Piero and Truskinovsky. The elastic approach, coupled with microstructural knowledge, becomes a more powerful tool to reproduce a broad class of macroscopic material responses by changing the convexity-concavity of the Helmholtz energy. The analysis points out that mean-field statistics are appropriate prior to damage localization but max-field statistics are better suited in the softening regime up to failure, where microstrain fluctuation needs to be incorporated in the continuum model. This observation is of consequence to revise mean-field damage models from literature and to calibrate Nth gradient continuum models.

Computation of the effective mechanical response of biological networks accounting for large configuration changes.

PubMed

El Nady, K; Ganghoffer, J F

2016-05-01

The asymptotic homogenization technique is involved to derive the effective elastic response of biological membranes viewed as repetitive beam networks. Thereby, a systematic methodology is established, allowing the prediction of the overall mechanical properties of biological membranes in the nonlinear regime, reflecting the influence of the geometrical and mechanical micro-parameters of the network structure on the overall response of the equivalent continuum. Biomembranes networks are classified based on nodal connectivity, so that we analyze in this work 3, 4 and 6-connectivity networks, which are representative of most biological networks. The individual filaments of the network are described as undulated beams prone to entropic elasticity, with tensile moduli determined from their persistence length. The effective micropolar continuum evaluated as a continuum substitute of the biological network has a kinematics reflecting the discrete network deformation modes, involving a nodal displacement and a microrotation. The statics involves the classical Cauchy stress and internal moments encapsulated into couple stresses, which develop internal work in duality to microcurvatures reflecting local network undulations. The relative ratio of the characteristic bending length of the effective micropolar continuum to the unit cell size determines the relevant choice of the equivalent medium. In most cases, the Cauchy continuum is sufficient to model biomembranes. The peptidoglycan network may exhibit a re-entrant hexagonal configuration due to thermal or pressure fluctuations, for which micropolar effects become important. The homogenized responses are in good agreement with FE simulations performed over the whole network. The predictive nature of the employed homogenization technique allows the identification of a strain energy density of a hyperelastic model, for the purpose of performing structural calculations of the shape evolutions of biomembranes. Copyright © 2015 Elsevier Ltd. All rights reserved.

The Effect of Chemical Functionalization on Mechanical Properties of Nanotube/Polymer Composites

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Frankland, S. J. V.; Gates, T. S.

2003-01-01

The effects of the chemical functionalization of a carbon nanotube embedded in a nanotube/polyethylene composite on the bulk elastic properties are presented. Constitutive equations are established for both functionalized and non-functionalized nanotube composites systems by using an equivalent-continuum modeling technique. The elastic properties of both composites systems are predicted for various nanotube lengths, volume fractions, and orientations. The results indicate that for the specific composite material considered in this study, most of the elastic stiffness constants of the functionalized composite are either less than or equal to those of the non-functionalized composite.

Cross-Linked Nanotube Materials with Variable Stiffness Tethers

NASA Technical Reports Server (NTRS)

Frankland, Sarah-Jane V.; Odegard, Gregory M.; Herzog, Matthew N.; Gates, Thomas S.; Fay, Catherine C.

2004-01-01

The constitutive properties of a cross-linked single-walled carbon nanotube material are predicted with a multi-scale model. The material is modeled as a transversely isotropic solid using concepts from equivalent-continuum modeling. The elastic constants are determined using molecular dynamics simulation. Some parameters of the molecular force field are determined specifically for the cross-linker from ab initio calculations. A demonstration of how the cross-linked nanotubes may affect the properties of a nanotube/polyimide composite is included using a micromechanical analysis.

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

Roberts, C. D.; Schmidt, S. M.; Physics

Continuum strong QCD is the application of models and continuum quantum field theory to the study of phenomena in hadronic physics, which includes; e.g., the spectrum of QCD bound states and their interactions; and the transition to, and properties of, a quark gluon plasma. We provide a contemporary perspective, couched primarily in terms of the Dyson-Schwinger equations but also making comparisons with other approaches and models. Our discourse provides a practitioners' guide to features of the Dyson-Schwinger equations [such as confinement and dynamical chiral symmetry breaking] and canvasses phenomenological applications to light meson and baryon properties in cold, sparse QCD.more » These provide the foundation for an extension to hot, dense QCD, which is probed via the introduction of the intensive thermodynamic variables: chemical potential and temperature. We describe order parameters whose evolution signals deconfinement and chiral symmetry restoration, and chronicle their use in demarcating the quark gluon plasma phase boundary and characterizing the plasma's properties. Hadron traits change in an equilibrated plasma. We exemplify this and discuss putative signals of the effects. Finally, since plasma formation is not an equilibrium process, we discuss recent developments in kinetic theory and its application to describing the evolution from a relativistic heavy ion collision to an equilibrated quark gluon plasma.« less

Continuum Model for Decontamination of Chemical Warfare Agent from a Rubbery Polymer using the Maxwell-Stefan Formulation

NASA Astrophysics Data System (ADS)

Varady, Mark; Bringuier, Stefan; Pearl, Thomas; Stevenson, Shawn; Mantooth, Brent

Decontamination of polymers exposed to chemical warfare agents (CWA) often proceeds by application of a liquid solution. Absorption of some decontaminant components proceed concurrently with extraction of the CWA, resulting in multicomponent diffusion in the polymer. In this work, the Maxwell-Stefan equations were used with the Flory-Huggins model of species activity to mathematically describe the transport of two species within a polymer. This model was used to predict the extraction of the nerve agent O-ethyl S-[2(diisopropylamino)ethyl] methylphosphonothioate (VX) from a silicone elastomer into both water and methanol. Comparisons with experimental results show good agreement with minimal fitting of model parameters from pure component uptake data. Reaction of the extracted VX with sodium hydroxide in the liquid-phase was also modeled and used to predict the overall rate of destruction of VX. Although the reaction proceeds more slowly in the methanol-based solution compared to the aqueous solution, the extraction rate is faster due to increasing VX mobility as methanol absorbs into the silicone, resulting in an overall faster rate of VX destruction.

Examination of the Psychometric Properties of the Measurement Skills Assessment

ERIC Educational Resources Information Center

Vasilyeva, Marina; Ludlow, Larry H.; Casey, Beth M.; Onge, Caroline St.

2009-01-01

This article introduces the Measurement Skills Assessment (MeSA), which was designed to evaluate the mastery of measurement in elementary school students. The primary objectives for the MeSA include covering a broad range of measurement concepts, distinguishing between major subtypes of measurement, and constructing a continuum of items varying in…

One-dimensional wave propagation in particulate suspensions

NASA Technical Reports Server (NTRS)

Rochelle, S. G.; Peddieson, J., Jr.

1976-01-01

One-dimensional small-amplitude wave motion in a two-phase system consisting of an inviscid gas and a cloud of suspended particles is analyzed using a continuum theory of suspensions. Laplace transform methods are used to obtain several approximate solutions. Properties of acoustic wave motion in particulate suspensions are inferred from these solutions.

Reevaluation of the Amsterdam Inventory for Auditory Disability and Handicap Using Item Response Theory

ERIC Educational Resources Information Center

Hospers, J. Mirjam Boeschen; Smits, Niels; Smits, Cas; Stam, Mariska; Terwee, Caroline B.; Kramer, Sophia E.

2016-01-01

Purpose: We reevaluated the psychometric properties of the Amsterdam Inventory for Auditory Disability and Handicap (AIADH; Kramer, Kapteyn, Festen, & Tobi, 1995) using item response theory. Item response theory describes item functioning along an ability continuum. Method: Cross-sectional data from 2,352 adults with and without hearing…

Feedback to Managers: A Review and Comparison of Multi-Rater Instruments for Management Development. Third Edition.

ERIC Educational Resources Information Center

Leslie, Jean Brittain; Fleenor, John W.

This volume describes 24 publicly available multiple-perspective management-assessment instruments that relate self-view to the views of others on multiple management and leadership domains. Each instrument also includes an assessment-for-development focus that scales managers along a continuum of psychometric properties, and "best…

Wave dispersion and propagation in state-based peridynamics

NASA Astrophysics Data System (ADS)

Butt, Sahir N.; Timothy, Jithender J.; Meschke, Günther

2017-11-01

Peridynamics is a nonlocal continuum model which offers benefits over classical continuum models in cases, where discontinuities, such as cracks, are present in the deformation field. However, the nonlocal characteristics of peridynamics leads to a dispersive dynamic response of the medium. In this study we focus on the dispersion properties of a state-based linear peridynamic solid model and specifically investigate the role of the peridynamic horizon. We derive the dispersion relation for one, two and three dimensional cases and investigate the effect of horizon size, mesh size (lattice spacing) and the influence function on the dispersion properties. We show how the influence function can be used to minimize wave dispersion at a fixed lattice spacing and demonstrate it qualitatively by wave propagation analysis in one- and two-dimensional models of elastic solids. As a main contribution of this paper, we propose to associate peridynamic non-locality expressed by the horizon with a characteristic length scale related to the material microstructure. To this end, the dispersion curves obtained from peridynamics are compared with experimental data for two kinds of sandstone.

Multiscale Modeling of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2: Application to Lattice Thermal Conductivity

NASA Technical Reports Server (NTRS)

Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W.

2012-01-01

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

Satisfaction with and Benefits of a Psych-social Club: Development of a Mixed Method Evaluation Instrument

PubMed Central

Labun, Evelyn; Yurkovich, Eleanor; Ide, Bette A.

2015-01-01

Deinstitutionalization of psychiatric mental health hospitals began in the 1960’s; thus, the delivery of mental health services became dependent on regional centers and community based, contracted services. One such service model is the psych-social club. Such clubs provide mental health services on the lower end of the cost continuum and reduce the utilization of higher cost services (Yurkovich, Labun, Cook & Lattergrass, 2005). This paper fills a gap by reporting on the development of a mixed method instrument entitled Benefits & Satisfaction Tool for Members of a Psych-social Club (B&ST-MPC). It also reports on the psychometric properties of the instrument, and measures members’ perception of satisfaction with and benefits of their psych-social club utilization, thus providing evaluative information for developing client centered continuums of care (Yurkovich et al., 2005). The paper includes a brief overview of the first mixed method study, background information on the rationale for instrument development, including methods used, and a discussion of the instrument’s psychometric properties. PMID:23164402

Accuracy of the lattice Boltzmann method for describing the behavior of a gas in the continuum limit.

PubMed

Kataoka, Takeshi; Tsutahara, Michihisa

2010-11-01

The accuracy of the lattice Boltzmann method (LBM) for describing the behavior of a gas in the continuum limit is systematically investigated. The asymptotic analysis for small Knudsen numbers is carried out to derive the corresponding fluid-dynamics-type equations, and the errors of the LBM are estimated by comparing them with the correct fluid-dynamics-type equations. We discuss the following three important cases: (I) the Mach number of the flow is much smaller than the Knudsen number, (II) the Mach number is of the same order as the Knudsen number, and (III) the Mach number is finite. From the von Karman relation, the above three cases correspond to the flows of (I) small Reynolds number, (II) finite Reynolds number, and (III) large Reynolds number, respectively. The analysis is made with the information only of the fundamental properties of the lattice Boltzmann models without stepping into their detailed form. The results are therefore applicable to various lattice Boltzmann models that satisfy the fundamental properties used in the analysis.

A continuum dislocation dynamics framework for plasticity of polycrystalline materials

NASA Astrophysics Data System (ADS)

Askari, Hesam Aldin

The objective of this research is to investigate the mechanical response of polycrystals in different settings to identify the mechanisms that give rise to specific response observed in the deformation process. Particularly the large deformation of magnesium alloys and yield properties of copper in small scales are investigated. We develop a continuum dislocation dynamics framework based on dislocation mechanisms and interaction laws and implement this formulation in a viscoplastic self-consistent scheme to obtain the mechanical response in a polycrystalline system. The versatility of this method allows various applications in the study of problems involving large deformation, study of microstructure and its evolution, superplasticity, study of size effect in polycrystals and stochastic plasticity. The findings from the numerical solution are compared to the experimental results to validate the simulation results. We apply this framework to study the deformation mechanisms in magnesium alloys at moderate to fast strain rates and room temperature to 450 °C. Experiments for the same range of strain rates and temperatures were carried out to obtain the mechanical and material properties, and to compare with the numerical results. The numerical approach for magnesium is divided into four main steps; 1) room temperature unidirectional loading 2) high temperature deformation without grain boundary sliding 3) high temperature with grain boundary sliding mechanism 4) room temperature cyclic loading. We demonstrate the capability of our modeling approach in prediction of mechanical properties and texture evolution and discuss the improvement obtained by using the continuum dislocation dynamics method. The framework was also applied to nano-sized copper polycrystals to study the yield properties at small scales and address the observed yield scatter. By combining our developed method with a Monte Carlo simulation approach, the stochastic plasticity at small length scales was studied and the sources of the uncertainty in the polycrystalline structure are discussed. Our results suggest that the stochastic response is mainly because of a) stochastic plasticity due to dislocation substructure inside crystals and b) the microstructure of the polycrystalline material. The extent of the uncertainty is correlated to the "effective cell length" in the sampling procedure whether using simulations and experimental approach.

Local measurement of thermal conductivity and diffusivity

DOE PAGES

Hurley, David H.; Schley, Robert S.; Khafizov, Marat; ...

2015-12-01

Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness formore » extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representative of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agree closely with literature values. Lastly, a distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.« less

Local measurement of thermal conductivity and diffusivity

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

Hurley, David H.; Schley, Robert S.; Khafizov, Marat

2015-12-15

Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness formore » extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representatives of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agreed closely with the literature values. A distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.« less

Chevron Behavior and Isostable Enthalpic Barriers in Protein Folding: Successes and Limitations of Simple Gō-like Modeling

PubMed Central

Kaya, Hüseyin; Liu, Zhirong; Chan, Hue Sun

2005-01-01

It has been demonstrated that a “near-Levinthal” cooperative mechanism, whereby the common Gō interaction scheme is augmented by an extra favorability for the native state as a whole, can lead to apparent two-state folding/unfolding kinetics over a broad range of native stabilities in lattice models of proteins. Here such a mechanism is shown to be generalizable to a simplified continuum (off-lattice) Langevin dynamics model with a Cα protein chain representation, with the resulting chevron plots exhibiting an extended quasilinear regime reminiscent of that of apparent two-state real proteins. Similarly high degrees of cooperativity are possible in Gō-like continuum models with rudimentary pairwise desolvation barriers as well. In these models, cooperativity increases with increasing desolvation barrier height, suggesting strongly that two-state-like folding/unfolding kinetics would be achievable when the pairwise desolvation barrier becomes sufficiently high. Besides cooperativity, another generic folding property of interest that has emerged from published experiments on several apparent two-state proteins is that their folding relaxation under constant native stability (isostability) conditions is essentially Arrhenius, entailing high intrinsic enthalpic folding barriers of ∼17–30 kcal/mol. Based on a new analysis of published data on barnase, here we propose that a similar property should also apply to a certain class of non-two-state proteins that fold with chevron rollovers. However, several continuum Gō-like constructs considered here fail to predict any significant intrinsic enthalpic folding barrier under isostability conditions; thus the physical origin of such barriers in real proteins remains to be elucidated. PMID:15863486

Characterizing Quasar Outflows I: Sample, Spectral Measurements

NASA Astrophysics Data System (ADS)

Ganguly, Rajib; Christenson, D. H.; Richmond, J. M.; Derseweh, J. A.; Robbins, J. M.; Townsend, S. L.; Stark, M. A.

2012-05-01

Galaxy evolution models have shown that quasars are a crucial ingredient in the evolution of massive galaxies. Outflows play a key role in the story of quasars and their host galaxies, by helping regulate the accretion process, the star-formation rate and mass of the host galaxy (i.e., feedback). The prescription for modeling outflows as a contributor to feedback requires knowledge of the outflow velocity, geometry, and column density. In particular, we need to understand how these depend on physical parameters and how much is determined stochastically (and with what distribution). For this purpose, we are examining a sample of 11000 z=1.7-2.0 quasars from the Sloan Digital Sky Survey. This redshift range permits the following from the SDSS spectra: (1) separation of objects that do and do not exhibit outflows; (2) classification/measurement of outflow properties (ionization, velocity, velocity width); and (3) measurements of UV emission line and continuum parameters. In this poster, we subjectively divide these quasars into four categories: broad absorption-line quasars (2700 objects), associated absorption-line quasars (1700 objects), reddened quasars (160 objects), and unabsorbed/unreddened quasars (6300 objects). We present measurements of the absorption (velocities, velocity widths, equivalent widths), composite spectral profiles of outflows as a function of velocity, as well as measurements of the continuum and CIV, MgII, and FeII emission-line properties. In accompanying posters, we add photometry from the rest-frame X-ray (ROSAT and Chandra), EUV (GALEX), optical (2MASS), and infrared (WISE) bands to complete the SED. The continuum and emission-line measurements from the SDSS spectra and accompanying photometry provides estimates on the black hole masses, bolometric luminsosities, and SED. We consider empirically how these affect the outflow properties. This material is based upon work supported by the National Aeronautics and Space Administration under Grant No. 09-ADP09-0016 issued through the Astrophysics Data Analysis Program.

Structure of the exotic 9He nucleus from the no-core shell model with continuum

NASA Astrophysics Data System (ADS)

Vorabbi, Matteo; Calci, Angelo; Navrátil, Petr; Kruse, Michael K. G.; Quaglioni, Sofia; Hupin, Guillaume

2018-03-01

Background: The exotic 9He nucleus, which presents one of the most extreme neutron-to-proton ratios, belongs to the N =7 isotonic chain famous for the phenomenon of ground-state parity inversion with decreasing number of protons. Consequently, it would be expected to have an unnatural (positive) parity ground state similar to 11Be and 10Li. Despite many experimental and theoretical investigations, its structure remains uncertain. Apart from the fact that it is unbound, other properties including the spin and parity of its ground state, and the very existence of additional low-lying resonances are still a matter of debate. Purpose: In this work, we study the properties of 9He by analyzing the n +8He continuum in the context of the ab initio no-core shell model with continuum (NCSMC) formalism with chiral nucleon-nucleon interactions as the only input. Methods: The NCSMC is a state-of-the-art approach for the ab initio description of light nuclei. With its capability to predict properties of bound states, resonances, and scattering states in a unified framework, the method is particularly well suited for the study of unbound nuclei such as 9He. Results: Our analysis produces an unbound 9He nucleus. Two resonant states are found at the energies of ˜1 and ˜3.5 MeV, respectively, above the n +8He breakup threshold. The first state has a spin-parity assignment of Jπ=1/2 - and can be associated with the ground state of 9He, while the second, broader state has a spin parity of 3/2 -. No resonance is found in the 1/2 + channel, only a very weak attraction. Conclusions: We find that the 9He ground-state resonance has a negative parity and thus breaks the parity-inversion mechanism found in the 11Be and 10Li nuclei of the same N =7 isotonic chain.

Carbonaceous Aerosol Characterization during 2016 KOR-US 2016

NASA Astrophysics Data System (ADS)

Rodriguez, B.; Santos, G. M.; Sanchez, D.; Jeong, D.; Czimczik, C. I.; Kim, S.

2017-12-01

Atmospheric carbonaceous aerosols are a major component of fine particulate matter and assume important roles in Earth's climate and human health. Because atmospheric carbonaceous aerosols exist as a continuum ranging from small, light-scattering organic carbon (OC), to highly-condensed, light-absorbing elemental carbon (EC) they have contrasting effects on interaction with incoming and outgoing radiation, cloud formation, and snow/ice albedo. By strengthening our understanding of the relative contribution and sources of OC and EC we will be able to further describe aerosol formation and mixing at the regional level. To understand the relative anthropogenic and biogenic contributions to carbonaceous aerosol, 12 PM10 aerosols samples were collected on quartz fiber filters at the Mt. Taewha Research Forest in South Korea during the KORUS-AQ 2016 campaign over periods of 24-48 hours with a high-volume air sampler. Analysis of bulk C and N concentrations and absorption properties of filter extracts interspersed with HYSPLIT model results indicated that continental outflow across the Yellow Sea in enriched in bulk nitrogen loading and enhanced bulk absorptive properties of the aerosols. Bulk radiocarbon analysis also indicated enriched values in all samples indicating contamination from a nuclear power plant or the combustion of biomedical waste nearby. Here, we aim to investigate further the chemical characterization of VOCs adsorbed unto the aerosol through TD-GC-TOFMS. With this dataset we aim to determine the relative contribution of anthropogenic and biogenic aerosols by utilizing specific chemical tracers for source apportionment.

The three-body problem with short-range interactions

NASA Astrophysics Data System (ADS)

Nielsen, E.; Fedorov, D. V.; Jensen, A. S.; Garrido, E.

2001-06-01

The quantum mechanical three-body problem is studied for general short-range interactions. We work in coordinate space to facilitate accurate computations of weakly bound and spatially extended systems. Hyperspherical coordinates are used in both the interpretation and as an integral part of the numerical method. Universal properties and model independence are discussed throughout the report. We present an overview of the hyperspherical adiabatic Faddeev equations. The wave function is expanded on hyperspherical angular eigenfunctions which in turn are found numerically using the Faddeev equations. We generalize the formalism to any dimension of space d greater or equal to two. We present two numerical techniques for solving the Faddeev equations on the hypersphere. These techniques are effective for short and intermediate/large distances including use for hard core repulsive potentials. We study the asymptotic limit of large hyperradius and derive the analytic behaviour of the angular eigenvalues and eigenfunctions. We discuss four applications of the general method. We first analyze the Efimov and Thomas effects for arbitrary angular momenta and for arbitrary dimensions d. Second we apply the method to extract the general behaviour of weakly bound three-body systems in two dimensions. Third we illustrate the method in three dimensions by structure computations of Borromean halo nuclei, the hypertriton and helium molecules. Fourth we investigate in three dimensions three-body continuum properties of Borromean halo nuclei and recombination reactions of helium atoms as an example of direct relevance for the stability of Bose-Einstein condensates.

A distance-limited sample of massive star-forming cores from the RMS

NASA Astrophysics Data System (ADS)

Maud, L. T.; Lumsden, S. L.; Moore, T. J. T.; Mottram, J. C.; Urquhart, J. S.; Cicchini, A.

2015-09-01

We analyse C18O (J = 3-2) data from a sample of 99 infrared (IR)-bright massive young stellar objects (MYSOs) and compact H II regions that were identified as potential molecular-outflow sources in the Red MSX Source survey. We extract a distance-limited (D < 6 kpc) sample shown to be representative of star formation covering the transition between the source types. At the spatial resolution probed, Larson-like relationships are found for these cores, though the alternative explanation, that Larson's relations arise where surface-density-limited samples are considered, is also consistent with our data. There are no significant differences found between source properties for the MYSOs and H II regions, suggesting that the core properties are established prior to the formation of massive stars, which subsequently have little impact at the later evolutionary stages investigated. There is a strong correlation between dust-continuum and C18O-gas masses, supporting the interpretation that both trace the same material in these IR-bright sources. A clear linear relationship is seen between the independently established core masses and luminosities. The position of MYSOs and compact H II regions in the mass-luminosity plane is consistent with the luminosity expected from the most massive protostar in the cluster when using an ˜40 per cent star formation efficiency and indicates that they are at a similar evolutionary stage, near the end of the accretion phase.

Fast arsenic speciation in water by on-site solid phase extraction and high-resolution continuum source graphite furnace atomic absorption spectrometry

NASA Astrophysics Data System (ADS)

Mihucz, Victor G.; Bencs, László; Koncz, Kornél; Tatár, Enikő; Weiszburg, Tamás; Záray, Gyula

2017-02-01

A method of high-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS-GFAAS), combined with on-site separation/solid phase extraction (SPE) has been developed for the speciation of inorganic As (iAs) in geothermal and drinking water samples. The HR-CS-GFAAS calibration curves were linear up to 200 μg/L As, but using second order polynomial fitting, accurate calibration could be performed up to 500 μg/L. It has been demonstrated that sample pH should not be higher than 8 for an accurate speciation of As(V) with a recovery of ≈ 95%. Geothermal water had fairly high salt content (≈ 2200 mg/L) due to the presence of chlorides and sulfates at mg/L levels. Therefore, a two-fold dilution of these types of samples before SPE is recommended, especially, for total As determinations, when the As concentration is as high as 400 μg/L. For drinking water, sampled from public wells with records of As concentrations higher than the 10 μg/L in the past, the reduction of As contamination below the WHO's health limit value could be observed. However, the electrical conductivity was close to 2500 μS/cm, i.e., the guideline limit for drinking water, which was due to their higher chloride content. The proposed fit-for-purpose SPE-HR-CS-GFAAS method could be a candidate for screening drinking water quality.

Canola Proteins for Human Consumption: Extraction, Profile, and Functional Properties

PubMed Central

Tan, Siong H; Mailer, Rodney J; Blanchard, Christopher L; Agboola, Samson O

2011-01-01

Canola protein isolate has been suggested as an alternative to other proteins for human food use due to a balanced amino acid profile and potential functional properties such as emulsifying, foaming, and gelling abilities. This is, therefore, a review of the studies on the utilization of canola protein in human food, comprising the extraction processes for protein isolates and fractions, the molecular character of the extracted proteins, as well as their food functional properties. A majority of studies were based on proteins extracted from the meal using alkaline solution, presumably due to its high nitrogen yield, followed by those utilizing salt extraction combined with ultrafiltration. Characteristics of canola and its predecessor rapeseed protein fractions such as nitrogen yield, molecular weight profile, isoelectric point, solubility, and thermal properties have been reported and were found to be largely related to the extraction methods. However, very little research has been carried out on the hydrophobicity and structure profiles of the protein extracts that are highly relevant to a proper understanding of food functional properties. Alkaline extracts were generally not very suitable as functional ingredients and contradictory results about many of the measured properties of canola proteins, especially their emulsification tendencies, have also been documented. Further research into improved extraction methods is recommended, as is a more systematic approach to the measurement of desired food functional properties for valid comparison between studies. PMID:21535703

Antioxidant Properties of Crude Extract, Partition Extract, and Fermented Medium of Dendrobium sabin Flower

PubMed Central

Abu, Farahziela; Mohd Akhir, Sobri

2017-01-01

Antioxidant properties of crude extract, partition extract, and fermented medium from Dendrobium sabin (DS) flower were investigated. The oven-dried DS flower was extracted using 100% methanol (w/v), 100% ethanol (w/v), and 100% water (w/v). The 100% methanolic crude extract showed the highest total phenolic content (40.33 ± mg GAE/g extract) and the best antioxidant properties as shown by DPPH, ABTS, and FRAP assays. A correlation relationship between antioxidant activity and total phenolic content showed that phenolic compounds were the dominant antioxidant components in this flower extract. The microbial fermentation on DS flower medium showed a potential in increasing the phenolic content and DPPH scavenging activity. The TPC of final fermented medium showed approximately 18% increment, while the DPPH of fermented medium increased significantly to approximately 80% at the end of the fermentation. Dendrobium sabin (DS) flower showed very good potential properties of antioxidant in crude extract and partition extract as well as better antioxidant activity in the flower fermented medium. PMID:28761496

Development of multicomponent hybrid density functional theory with polarizable continuum model for the analysis of nuclear quantum effect and solvent effect on NMR chemical shift.

PubMed

Kanematsu, Yusuke; Tachikawa, Masanori

2014-04-28

We have developed the multicomponent hybrid density functional theory [MC_(HF+DFT)] method with polarizable continuum model (PCM) for the analysis of molecular properties including both nuclear quantum effect and solvent effect. The chemical shifts and H/D isotope shifts of the picolinic acid N-oxide (PANO) molecule in chloroform and acetonitrile solvents are applied by B3LYP electron exchange-correlation functional for our MC_(HF+DFT) method with PCM (MC_B3LYP/PCM). Our MC_B3LYP/PCM results for PANO are in reasonable agreement with the corresponding experimental chemical shifts and isotope shifts. We further investigated the applicability of our method for acetylacetone in several solvents.

He 3 ( α , γ ) Be 7 and H 3 ( α , γ ) Li 7 astrophysical S factors from the no-core shell model with continuum

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

Dohet-Eraly, Jeremy; Navratil, Petr; Quaglioni, Sofia

The 3He(α,γ) 7Be and 3H(α,γ) 7Li astrophysical S factors are calculated within the no-core shell model with continuum using a renormalized chiral nucleon–nucleon interaction. The 3He(α,γ) 7Be astrophysical S factors agree reasonably well with the experimental data while the 3H(α,γ) 7Li ones are overestimated. The seven-nucleon bound and resonance states and the α + 3He/ 3H elastic scattering are also studied and compared with experiment. Here, the low-lying resonance properties are rather well reproduced by our approach. At low energies, the s-wave phase shift, which is non-resonant, is overestimated.

Exploring the Full Range of Properties of Quasar Spectral Distributions

NASA Technical Reports Server (NTRS)

Wilkes, B.

1998-01-01

The aim of this work is to support our ISO, far-infrared (IR) observing program of quasars and active galaxies. We have obtained, as far as possible, complete spectral energy distributions (radio-X-ray) of the ISO sample in order to fully delineate the continuum shapes and to allow detailed modelling of that continuum. This includes: ground-based optical, near-IR and mm data, the spectral ranges closest to the ISO data, within 1-2 years of the ISO observations themselves. ISO was launched in Nov 1995 and is currently observing routinely. It has an estimated lifetime is 2 years. All near-IR and optical imaging and spectroscopy are now in hand and in the process of being reduced, mm data collection and proposal writing continues.

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

Motevaselian, M. H.; Mashayak, S. Y.; Aluru, N. R., E-mail: aluru@illinois.edu

Empirical potential-based quasi-continuum theory (EQT) provides a route to incorporate atomistic detail into continuum framework such as the Nernst-Planck equation. EQT can also be used to construct a grand potential functional for classical density functional theory (cDFT). The combination of EQT and cDFT provides a simple and fast approach to predict the inhomogeneous density, potential profiles, and thermodynamic properties of confined fluids. We extend the EQT-cDFT approach to confined fluid mixtures and demonstrate it by simulating a mixture of methane and hydrogen inside slit-like channels of graphene. We show that the EQT-cDFT predictions for the structure of the confined fluidmore » mixture compare well with the molecular dynamics simulation results. In addition, our results show that graphene slit nanopores exhibit a selective adsorption of methane over hydrogen.« less

Variational principles for relativistic smoothed particle hydrodynamics

NASA Astrophysics Data System (ADS)

Monaghan, J. J.; Price, D. J.

2001-12-01

In this paper we show how the equations of motion for the smoothed particle hydrodynamics (SPH) method may be derived from a variational principle for both non-relativistic and relativistic motion when there is no dissipation. Because the SPH density is a function of the coordinates the derivation of the equations of motion through variational principles is simpler than in the continuum case where the density is defined through the continuity equation. In particular, the derivation of the general relativistic equations is more direct and simpler than that of Fock. The symmetry properties of the Lagrangian lead immediately to the familiar additive conservation laws of linear and angular momentum and energy. In addition, we show that there is an approximately conserved quantity which, in the continuum limit, is the circulation.

Polymer Fluid Dynamics: Continuum and Molecular Approaches.

PubMed

Bird, R B; Giacomin, A J

2016-06-07

To solve problems in polymer fluid dynamics, one needs the equations of continuity, motion, and energy. The last two equations contain the stress tensor and the heat-flux vector for the material. There are two ways to formulate the stress tensor: (a) One can write a continuum expression for the stress tensor in terms of kinematic tensors, or (b) one can select a molecular model that represents the polymer molecule and then develop an expression for the stress tensor from kinetic theory. The advantage of the kinetic theory approach is that one gets information about the relation between the molecular structure of the polymers and the rheological properties. We restrict the discussion primarily to the simplest stress tensor expressions or constitutive equations containing from two to four adjustable parameters, although we do indicate how these formulations may be extended to give more complicated expressions. We also explore how these simplest expressions are recovered as special cases of a more general framework, the Oldroyd 8-constant model. Studying the simplest models allows us to discover which types of empiricisms or molecular models seem to be worth investigating further. We also explore equivalences between continuum and molecular approaches. We restrict the discussion to several types of simple flows, such as shearing flows and extensional flows, which are of greatest importance in industrial operations. Furthermore, if these simple flows cannot be well described by continuum or molecular models, then it is not necessary to lavish time and energy to apply them to more complex flow problems.

A multiscale model for charge inversion in electric double layers

NASA Astrophysics Data System (ADS)

Mashayak, S. Y.; Aluru, N. R.

2018-06-01

Charge inversion is a widely observed phenomenon. It is a result of the rich statistical mechanics of the molecular interactions between ions, solvent, and charged surfaces near electric double layers (EDLs). Electrostatic correlations between ions and hydration interactions between ions and water molecules play a dominant role in determining the distribution of ions in EDLs. Due to highly polar nature of water, near a surface, an inhomogeneous and anisotropic arrangement of water molecules gives rise to pronounced variations in the electrostatic and hydration energies of ions. Classical continuum theories fail to accurately describe electrostatic correlations and molecular effects of water in EDLs. In this work, we present an empirical potential based quasi-continuum theory (EQT) to accurately predict the molecular-level properties of aqueous electrolytes. In EQT, we employ rigorous statistical mechanics tools to incorporate interatomic interactions, long-range electrostatics, correlations, and orientation polarization effects at a continuum-level. Explicit consideration of atomic interactions of water molecules is both theoretically and numerically challenging. We develop a systematic coarse-graining approach to coarse-grain interactions of water molecules and electrolyte ions from a high-resolution atomistic scale to the continuum scale. To demonstrate the ability of EQT to incorporate the water orientation polarization, ion hydration, and electrostatic correlations effects, we simulate confined KCl aqueous electrolyte and show that EQT can accurately predict the distribution of ions in a thin EDL and also predict the complex phenomenon of charge inversion.

Gating Mechanisms of Mechanosensitive Channels of Large Conductance, I: A Continuum Mechanics-Based Hierarchical Framework

PubMed Central

Chen, Xi; Cui, Qiang; Tang, Yuye; Yoo, Jejoong; Yethiraj, Arun

2008-01-01

A hierarchical simulation framework that integrates information from molecular dynamics (MD) simulations into a continuum model is established to study the mechanical response of mechanosensitive channel of large-conductance (MscL) using the finite element method (FEM). The proposed MD-decorated FEM (MDeFEM) approach is used to explore the detailed gating mechanisms of the MscL in Escherichia coli embedded in a palmitoyloleoylphosphatidylethanolamine lipid bilayer. In Part I of this study, the framework of MDeFEM is established. The transmembrane and cytoplasmic helices are taken to be elastic rods, the loops are modeled as springs, and the lipid bilayer is approximated by a three-layer sheet. The mechanical properties of the continuum components, as well as their interactions, are derived from molecular simulations based on atomic force fields. In addition, analytical closed-form continuum model and elastic network model are established to complement the MDeFEM approach and to capture the most essential features of gating. In Part II of this study, the detailed gating mechanisms of E. coli-MscL under various types of loading are presented and compared with experiments, structural model, and all-atom simulations, as well as the analytical models established in Part I. It is envisioned that such a hierarchical multiscale framework will find great value in the study of a variety of biological processes involving complex mechanical deformations such as muscle contraction and mechanotransduction. PMID:18390626

A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure.

PubMed

Kojic, M; Milosevic, M; Kojic, N; Kim, K; Ferrari, M; Ziemys, A

2014-02-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts.

A multiscale MD–FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure

PubMed Central

Kojic, M.; Milosevic, M.; Kojic, N.; Kim, K.; Ferrari, M.; Ziemys, A.

2014-01-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts. PMID:24578582

Radio continuum of galaxies with H2O megamaser disks: 33 GHz VLA data

NASA Astrophysics Data System (ADS)

Kamali, F.; Henkel, C.; Brunthaler, A.; Impellizzeri, C. M. V.; Menten, K. M.; Braatz, J. A.; Greene, J. E.; Reid, M. J.; Condon, J. J.; Lo, K. Y.; Kuo, C. Y.; Litzinger, E.; Kadler, M.

2017-09-01

Context. Galaxies with H2O megamaser disks are active galaxies in whose edge-on accretion disks 22 GHz H2O maser emission has been detected. Because their geometry is known, they provide a unique view into the properties of active galactic nuclei. Aims: The goal of this work is to investigate the nuclear environment of galaxies with H2O maser disks and to relate the maser and host galaxy properties to those of the radio continuum emission of the galaxy. Methods: The 33 GHz (9 mm) radio continuum properties of 24 galaxies with reported 22 GHz H2O maser emission from their disks are studied in the context of the multiwavelength view of these sources. The 29-37 GHz Ka-band observations are made with the Karl Jansky Very Large Array in B, CnB, or BnA configurations, achieving a resolution of 0.2-0.5 arcsec. Hard X-ray data from the Swift/BAT survey and 22 μm infrared data from WISE, 22 GHz H2O maser data and 1.4 GHz data from NVSS and FIRST surveys are also included in the analysis. Results: Eighty-seven percent (21 out of 24) galaxies in our sample show 33 GHz radio continuum emission at levels of 4.5-240σ. Five sources show extended emission (deconvolved source size larger than 2.5 times the major axis of the beam), including one source with two main components and one with three main components. The remaining detected 16 sources (and also some of the above-mentioned targets) exhibit compact cores within the sensitivity limits. Little evidence is found for extended jets (>300 pc) in most sources. Either they do not exist, or our chosen frequency of 33 GHz is too high for a detection of these supposedly steep spectrum features. In NGC 4388, we find an extended jet-like feature that appears to be oriented perpendicular to the H2O megamaser disk. NGC 2273 is another candidate whose radio continuum source might be elongated perpendicular to the maser disk. Smaller 100-300 pc sized jets might also be present, as is suggested by the beam-deconvolved morphology of our sources. Whenever possible, central positions with accuracies of 20-280 mas are provided. A correlation analysis shows that the 33 GHz luminosity weakly correlates with the infrared luminosity. The 33 GHz luminosity is anticorrelated with the circular velocity of the galaxy. The black hole masses show stronger correlations with H2O maser luminosity than with 1.4 GHz, 33 GHz, or hard X-ray luminosities. Furthermore, the inner radii of the disks show stronger correlations with 1.4 GHz, 33 GHz, and hard X-ray luminosities than their outer radii, suggesting that the outer radii may be affected by disk warping, star formation, or peculiar density distributions.

Circumstellar Structure Properties of Young Stellar Objects: Envelopes, Bipolar Outflows, and Disks

NASA Astrophysics Data System (ADS)

Kwon, Woojin

2009-12-01

Physical properties of the three main structures in young stellar objects (YSOs), envelopes, bipolar outflows, and circumstellar disks, have been studied using radio interferometers: the Berkeley-Illinois-Maryland Association (BIMA) array and the Combined Array for Research in Millimeter-wave Astronomy (CARMA). (1) Envelopes. Three Class 0 YSOs (L1448 IRS 2, L1448 IRS 3, and L1157) have been observed by CARMA at λ = 1.3 mm and 2.7 mm continuum. Through visibility modeling to fit the two wavelength continuum data simultaneously, we found that the dust opacity spectral index (β) of Class 0 YSOs is around unity, which implies that dust grains have significantly grown already at the earliest stage. In addition, we discussed the radial dependence of β detected in L1448 IRS 3B and also estimated the density distribution of the three targets. (2) Bipolar outflows. Polarimetric observations in the λ = 1.3 mm continuum and CO, as well as spectral line observations in 13CO and C18O have been carried out toward L1448 IRS 3, which has three Class 0 YSOs, using BIMA. We clearly identified two interacting bipolar outflows from the "binary system" of IRS 3A and 3B and estimated the velocity, inclination, and opening angle of the 3B bipolar outflow, using Bayesian inference. Also, we showed that the "binary system" can be bound gravitationally and we estimated the specific angular momentum, which is between those of binary stars and molecular cloud cores. In addition, we marginally detected linear polarizations at the center of IRS 3B (implying a toroidal magnetic field) in continuum and at the bipolar outflow region in CO. (3) Circumstellar disks. We present the results of 6 objects (CI Tau, DL Tau, DO Tau, FT Tau, Haro 6-13, and HL Tau) in our T Tauri disk survey using CARMA. The data consist of λ = 1.3 mm and 2.7 mm continuum with an angular resolution up to 0.13". Through visibility modeling of two disk models (power-law disk with a Gaussian edge and viscous accretion disk) to fit the two wavelength data simultaneously in Bayesian inference, we constrained disk properties. In addition, we detected a dust lane at 100 AU radius of HL Tau, which is gravitationally unstable and can be fragmented. Besides, CI Tau and DL Tau appear to have a spiral pattern. Moreover, we found that more evolved disks have a shallower density gradient and that disks with a smaller β are less massive, which implies "hidden" masses in the cold midplane and/or in large grains. Finally, we found that the accretion disk model is preferred by HL Tau, which has a strong bipolar outflow and accretion, while the power-law disk model is preferred by DL Tau, which has experienced dust settlement and has weak accretion. This implies that the accretion disk model could be applied to disks only in a limited age range.

High pressure phase transformations revisited

NASA Astrophysics Data System (ADS)

Levitas, Valery I.

2018-04-01

High pressure phase transformations play an important role in the search for new materials and material synthesis, as well as in geophysics. However, they are poorly characterized, and phase transformation pressure and pressure hysteresis vary drastically in experiments of different researchers, with different pressure transmitting media, and with different material suppliers. Here we review the current state, challenges in studying phase transformations under high pressure, and the possible ways in overcoming the challenges. This field is critically compared with fields of phase transformations under normal pressure in steels and shape memory alloys, as well as plastic deformation of materials. The main reason for the above mentioned discrepancy is the lack of understanding that there is a fundamental difference between pressure-induced transformations under hydrostatic conditions, stress-induced transformations under nonhydrostatic conditions below yield, and strain-induced transformations during plastic flow. Each of these types of transformations has different mechanisms and requires a completely different thermodynamic and kinetic description and experimental characterization. In comparison with other fields the following challenges are indicated for high pressure phase transformation: (a) initial and evolving microstructure is not included in characterization of transformations; (b) continuum theory is poorly developed; (c) heterogeneous stress and strain fields in experiments are not determined, which leads to confusing material transformational properties with a system behavior. Some ways to advance the field of high pressure phase transformations are suggested. The key points are: (a) to take into account plastic deformations and microstructure evolution during transformations; (b) to formulate phase transformation criteria and kinetic equations in terms of stress and plastic strain tensors (instead of pressure alone); (c) to develop multiscale continuum theories, and (d) to couple experimental, theoretical, and computational studies of the behavior of a tested sample to extract information about fields of stress and strain tensors and concentration of high pressure phase, transformation criteria and kinetics. The ideal characterization should contain complete information which is required for simulation of the same experiments.

Assessing the fracture strength of geological and related materials via an atomistically based J-integral

NASA Astrophysics Data System (ADS)

Jones, R. E.; Criscenti, L. J.; Rimsza, J.

2016-12-01

Predicting fracture initiation and propagation in low-permeability geomaterials is a critical yet un- solved problem crucial to assessing shale caprocks at carbon dioxide sequestration sites, and controlling fracturing for gas and oil extraction. Experiments indicate that chemical reactions at fluid-geomaterial interfaces play a major role in subcritical crack growth by weakening the material and altering crack nu- cleation and growth rates. Engineering the subsurface fracture environment, however, has been hindered by a lack of understanding of the mechanisms relating chemical environment to mechanical outcome, and a lack of capability directly linking atomistic insight to macroscale observables. We have developed a fundamental atomic-level understanding of the chemical-mechanical mecha- nisms that control subcritical cracks through coarse-graining data from reactive molecular simulations. Previous studies of fracture at the atomic level have typically been limited to producing stress-strain curves, quantifying either the system-level stress or energy at which fracture propagation occurs. As such, these curves are neither characteristic of nor insightful regarding fracture features local to the crack tip. In contrast, configurational forces, such as the J-integral, are specific to the crack in that they measure the energy available to move the crack and truly quantify fracture resistance. By development and use of field estimators consistent with the continuum conservation properties we are able to connect the data produced by atomistic simulation to the continuum-level theory of fracture mechanics and thus inform engineering decisions. In order to trust this connection we have performed theoretical consistency tests and validation with experimental data. Although we have targeted geomaterials, this capability can have direct impact on other unsolved technological problems such as predicting the corrosion and embrittlement of metals and ceramics. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corpo- ration, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Assessing the vulnerability of a municipal well field to contamination in a karst aquifer

USGS Publications Warehouse

Renken, R.A.; Cunningham, K.J.; Zygnerski, M.R.; Wacker, M.A.; Shapiro, A.M.; Harvey, R.W.; Metge, D.W.; Osborn, C.L.; Ryan, J.N.

2005-01-01

Proposed expansion of extractive lime-rock mines near the Miami-Dade County Northwest well field and Everglades wetland areas has garnered intense scrutiny by government, public, environmental stakeholders, and the media because of concern that mining will increase the risk of pathogen contamination. Rock mines are excavated to the same depth as the well field's primary producing zone. The underlying karst Biscayne aquifer is a triple-porosity system characterized by (1) a matrix of interparticle porosity and separate vug porosity; (2) touching-vug porosity that forms preferred, stratiform passageways; and, less commonly, (3) conduit porosity formed by thin solution pipes, bedding-plane vugs, and cavernous vugs. Existing ground-water flow and particle tracking models do not provide adequate information regarding the ability the aquifer to limit the advective movement of pathogens and other contaminants. Chemical transport and colloidal mobility properties have been delineated using conservative and microsphere-surrogate tracers for Cryptosporidium parvum. Forced-gradient tests were executed by introducing conservative tracers into injection wells located 100 m (328 ft) from a municipal-supply well. Apparent mean advective velocity between the wells is one to two orders of magnitude greater than previously measured. Touching-vug, stratiform flow zones are efficient pathways for tracer movement at the well field. The effective porosity for a continuum model between the point of injection and tracer recovery ranges from 2 to 4 percent and is an order of magnitude smaller than previously assumed. Existing well-field protection zones were established using porosity estimates based on specific yield. The effective, or kinematic, porosity of a Biscayne aquifer continuum model is lower than the total porosity, because high velocities occur along preferential flow paths that result in faster times of travel than can be represented with the ground-water flow equation. Tracer tests indicate that the relative ease of contaminant movement to municipal supply wells is much greater than previously considered.

High pressure phase transformations revisited.

PubMed

Levitas, Valery I

2018-04-25

High pressure phase transformations play an important role in the search for new materials and material synthesis, as well as in geophysics. However, they are poorly characterized, and phase transformation pressure and pressure hysteresis vary drastically in experiments of different researchers, with different pressure transmitting media, and with different material suppliers. Here we review the current state, challenges in studying phase transformations under high pressure, and the possible ways in overcoming the challenges. This field is critically compared with fields of phase transformations under normal pressure in steels and shape memory alloys, as well as plastic deformation of materials. The main reason for the above mentioned discrepancy is the lack of understanding that there is a fundamental difference between pressure-induced transformations under hydrostatic conditions, stress-induced transformations under nonhydrostatic conditions below yield, and strain-induced transformations during plastic flow. Each of these types of transformations has different mechanisms and requires a completely different thermodynamic and kinetic description and experimental characterization. In comparison with other fields the following challenges are indicated for high pressure phase transformation: (a) initial and evolving microstructure is not included in characterization of transformations; (b) continuum theory is poorly developed; (c) heterogeneous stress and strain fields in experiments are not determined, which leads to confusing material transformational properties with a system behavior. Some ways to advance the field of high pressure phase transformations are suggested. The key points are: (a) to take into account plastic deformations and microstructure evolution during transformations; (b) to formulate phase transformation criteria and kinetic equations in terms of stress and plastic strain tensors (instead of pressure alone); (c) to develop multiscale continuum theories, and (d) to couple experimental, theoretical, and computational studies of the behavior of a tested sample to extract information about fields of stress and strain tensors and concentration of high pressure phase, transformation criteria and kinetics. The ideal characterization should contain complete information which is required for simulation of the same experiments.

Classifying acoustic signals into phoneme categories: average and dyslexic readers make use of complex dynamical patterns and multifractal scaling properties of the speech signal

PubMed Central

2015-01-01

Several competing aetiologies of developmental dyslexia suggest that the problems with acquiring literacy skills are causally entailed by low-level auditory and/or speech perception processes. The purpose of this study is to evaluate the diverging claims about the specific deficient peceptual processes under conditions of strong inference. Theoretically relevant acoustic features were extracted from a set of artificial speech stimuli that lie on a /bAk/-/dAk/ continuum. The features were tested on their ability to enable a simple classifier (Quadratic Discriminant Analysis) to reproduce the observed classification performance of average and dyslexic readers in a speech perception experiment. The ‘classical’ features examined were based on component process accounts of developmental dyslexia such as the supposed deficit in Envelope Rise Time detection and the deficit in the detection of rapid changes in the distribution of energy in the frequency spectrum (formant transitions). Studies examining these temporal processing deficit hypotheses do not employ measures that quantify the temporal dynamics of stimuli. It is shown that measures based on quantification of the dynamics of complex, interaction-dominant systems (Recurrence Quantification Analysis and the multifractal spectrum) enable QDA to classify the stimuli almost identically as observed in dyslexic and average reading participants. It seems unlikely that participants used any of the features that are traditionally associated with accounts of (impaired) speech perception. The nature of the variables quantifying the temporal dynamics of the speech stimuli imply that the classification of speech stimuli cannot be regarded as a linear aggregate of component processes that each parse the acoustic signal independent of one another, as is assumed by the ‘classical’ aetiologies of developmental dyslexia. It is suggested that the results imply that the differences in speech perception performance between average and dyslexic readers represent a scaled continuum rather than being caused by a specific deficient component. PMID:25834769

Persistent Homology fingerprinting of microstructural controls on larger-scale fluid flow in porous media

NASA Astrophysics Data System (ADS)

Moon, C.; Mitchell, S. A.; Callor, N.; Dewers, T. A.; Heath, J. E.; Yoon, H.; Conner, G. R.

2017-12-01

Traditional subsurface continuum multiphysics models include useful yet limiting geometrical assumptions: penny- or disc-shaped cracks, spherical or elliptical pores, bundles of capillary tubes, cubic law fracture permeability, etc. Each physics (flow, transport, mechanics) uses constitutive models with an increasing number of fit parameters that pertain to the microporous structure of the rock, but bear no inter-physics relationships or self-consistency. Recent advances in digital rock physics and pore-scale modeling link complex physics to detailed pore-level geometries, but measures for upscaling are somewhat unsatisfactory and come at a high computational cost. Continuum mechanics rely on a separation between small scale pore fluctuations and larger scale heterogeneity (and perhaps anisotropy), but this can break down (particularly for shales). Algebraic topology offers powerful mathematical tools for describing a local-to-global structure of shapes. Persistent homology, in particular, analyzes the dynamics of topological features and summarizes into numeric values. It offers a roadmap to both "fingerprint" topologies of pore structure and multiscale connectedness as well as links pore structure to physical behavior, thus potentially providing a means to relate the dependence of constitutive behaviors of pore structures in a self-consistent way. We present a persistence homology (PH) analysis framework of 3D image sets including a focused ion beam-scanning electron microscopy data set of the Selma Chalk. We extract structural characteristics of sampling volumes via persistence homology and fit a statistical model using the summarized values to estimate porosity, permeability, and connectivity—Lattice Boltzmann methods for single phase flow modeling are used to obtain the relationships. These PH methods allow for prediction of geophysical properties based on the geometry and connectivity in a computationally efficient way. Sandia National Laboratories is a multimission 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-NA0003525.

Data Collection Design for Equivalent Groups Equating: Using a Matrix Stratification Framework for Mixed-Format Assessment

ERIC Educational Resources Information Center

Mbella, Kinge Keka

2012-01-01

Mixed-format assessments are increasingly being used in large scale standardized assessments to measure a continuum of skills ranging from basic recall to higher order thinking skills. These assessments are usually comprised of a combination of (a) multiple-choice items which can be efficiently scored, have stable psychometric properties, and…

Simulation of organismic morphology and behavior by synthetic poly-alpha-amino acids.

PubMed

Fox, S W; McCauley, R; Joseph, D; Windsor, C R; Yuyama, S

1966-01-01

Experiments imitating spontaneous geothermal occurrences have yielded most of the amino acids found in protein. All of the amino acids found in protein are simultaneously condensed, by heating in a range of appropriate conditions, to polymers which have many of the properties of proteins. These properties include molecular weights of many thousand, digestibility by proteolytic enzymes, and catalytic activities. One of the other properties is the tendency to form structured units; these units have many of the attributes of biocells. The processes indicated, and others, comprise a conceptual continuum which, according to accumulated information, must have occurred under the conditions existing in regions of the primitive Earth.

Influence of extraction methods on antioxidant and antimicrobial properties of essential oil from Thymua danesis subsp. Lancifolius.

PubMed

Tavakolpour, Yousef; Moosavi-Nasab, Marzieh; Niakousari, Mehrdad; Haghighi-Manesh, Soroush

2016-03-01

The essential oil (EO) from dried ground powder leaves and stems of Thymua danesis was extracted using hydrodistillation (HD), ohmic extraction (OE), ultrasound-assisted HD and ultrasound-assisted OE methods. Then, the antioxidant, antimicrobial, and sensory properties of the EO were investigated both in vitro and in food systems. Thyme EO extracted by ultrasound-assisted HD method had promising antibacterial activities against Escherichia coli and Staphylococcus aureus and had the best antioxidant properties when tested in vitro. In food systems, higher concentrations of the EO were needed to exert similar antibacterial and antioxidant effects. Furthermore, thyme EO added yogurt and drink yogurt revealed better sensory properties than the control and fresh samples. Essential oil from Thymua danesis has a good potential to be used as an antioxidant, antimicrobial, and flavoring agent in food systems and the extraction method effects on the antioxidant and antimicrobial properties of the thyme extract.

Continuum theory of lipid bilayer electrostatics.

PubMed

Gerami, R; Bruinsma, R F

2009-10-01

In order to address the concerns about the applicability of the continuum theory of lipid bilayers, we generalize it by including a film with uniaxial dielectric properties representing the polar head groups of the lipid molecules. As a function of the in-plane dielectric constant κ|| of this film, we encounter a sequence of different phases. For low values of κ||, transmembrane pores have aqueous cores, ions are repelled by the bilayer, and the ion permeability of the bilayer is independent of the ion radius as in the existing theory. For increasing κ||, a threshold is reached--of the order of the dielectric constant of water--beyond which ions are attracted to the lipid bilayer by generic polarization attraction, transmembrane pores collapse, and the ion permeability becomes sensitively dependent on the ion radius, results that are more consistent with experimental and numerical studies of the interaction of ions with neutral lipid bilayers. At even higher values of κ||, the ion/pore complexes are predicted to condense in the form of extended arrays. The generalized continuum theory can be tested quantitatively by studies of the ion permeability as a function of salt concentration and co-surfactant concentration.

Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

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

Chen, Youping

This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such asmore » showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.« less

An integrative neuroscience model of "significance" processing.

PubMed

Williams, Leanne M

2006-03-01

The Gordon [37-40] framework of Integrative Neuroscience is used to develop a continuum model for understanding the central role of motivationally-determined "significance" in organizing human information processing. Significance is defined as the property which gives a stimulus relevance to our core motivation to minimize danger and maximize pleasure. Within this framework, the areas of cognition and emotion, theories of motivational arousal and orienting, and the current understanding of neural systems are brought together. The basis of integration is a temporal continuum in which significance processing extends from the most rapid millisecond time scale of automatic, nonconscious mechanisms to the time scale of seconds, in which memory is shaped, to the controlled and conscious mechanisms unfolding over minutes. Over this continuum, significant stimuli are associated with a spectrum of defensive (or consumptive) behaviors through to volitional regulatory behaviors for danger (versus pleasure) and associated brainstem, limbic, medial forebrain bundle and prefrontal circuits, all of which reflect a balance of excitatory (predominant at rapid time scales) to inhibitory mechanisms. Across the lifespan, the negative and positive outcomes of significance processing, coupled with constitutional and genetic factors, will contribute to plasticity, shaping individual adaptations and maladaptions in the balance of excitatory-inhibitory mechanisms.

Dual number algebra method for Green's function derivatives in 3D magneto-electro-elasticity

NASA Astrophysics Data System (ADS)

Dziatkiewicz, Grzegorz

2018-01-01

The Green functions are the basic elements of the boundary element method. To obtain the boundary integral formulation the Green function and its derivative should be known for the considered differential operator. Today the interesting group of materials are electronic composites. The special case of the electronic composite is the magnetoelectroelastic continuum. The mentioned continuum is a model of the piezoelectric-piezomagnetic composites. The anisotropy of their physical properties makes the problem of Green's function determination very difficult. For that reason Green's functions for the magnetoelectroelastic continuum are not known in the closed form and numerical methods should be applied to determine such Green's functions. These means that the problem of the accurate and simply determination of Green's function derivatives is even harder. Therefore in the present work the dual number algebra method is applied to calculate numerically the derivatives of 3D Green's functions for the magnetoelectroelastic materials. The introduced method is independent on the step size and it can be treated as a special case of the automatic differentiation method. Therefore, the dual number algebra method can be applied as a tool for checking the accuracy of the well-known finite difference schemes.

Multiscale study of metal nanoparticles

NASA Astrophysics Data System (ADS)

Lee, Byeongchan

Extremely small structures with reduced dimensionality have emerged as a scientific motif for their interesting properties. In particular, metal nanoparticles have been identified as a fundamental material in many catalytic activities; as a consequence, a better understanding of structure-function relationship of nanoparticles has become crucial. The functional analysis of nanoparticles, reactivity for example, requires an accurate method at the electronic structure level, whereas the structural analysis to find energetically stable local minima is beyond the scope of quantum mechanical methods as the computational cost becomes prohibitingly high. The challenge is that the inherent length scale and accuracy associated with any single method hardly covers the broad scale range spanned by both structural and functional analyses. In order to address this, and effectively explore the energetics and reactivity of metal nanoparticles, a hierarchical multiscale modeling is developed, where methodologies of different length scales, i.e. first principles density functional theory, atomistic calculations, and continuum modeling, are utilized in a sequential fashion. This work has focused on identifying the essential information that bridges two different methods so that a successive use of different methods is seamless. The bond characteristics of low coordination systems have been obtained with first principles calculations, and incorporated into the atomistic simulation. This also rectifies the deficiency of conventional interatomic potentials fitted to bulk properties, and improves the accuracy of atomistic calculations for nanoparticles. For the systematic shape selection of nanoparticles, we have improved the Wulff-type construction using a semi-continuum approach, in which atomistic surface energetics and crystallinity of materials are added on to the continuum framework. The developed multiscale modeling scheme is applied to the rational design of platinum nanoparticles in the range of 2.4 nm to 3.1 nm: energetically favorable structures have been determined in terms of semi-continuum binding energy, and the reactivity of the selected nanoparticle has been investigated based on local density of states from first principles calculations. The calculation suggests that the reactivity landscape of particles is more complex than the simple reactivity of clean surfaces, and the reactivity towards a particular reactant can be predicted for a given structure.

The high-energy view of the broad-line radio galaxy 3C 111

NASA Astrophysics Data System (ADS)

Ballo, L.; Braito, V.; Reeves, J. N.; Sambruna, R. M.; Tombesi, F.

2011-12-01

We present the analysis of Suzaku and XMM-Newton observations of the broad-line radio galaxy (BLRG) 3C 111. Its high-energy emission shows variability, a harder continuum with respect to the radio-quiet active galactic nucleus population, and weak reflection features. Suzaku found the source in a minimum flux level; a comparison with the XMM-Newton data implies an increase of a factor of 2.5 in the 0.5-10 keV flux, in the 6 months separating the two observations. The iron K complex is detected in both data sets, with rather low equivalent width(s). The intensity of the iron K complex does not respond to the change in continuum flux. An ultrafast, high-ionization outflowing gas is clearly detected in the Suzaku/X-ray Imaging Spectrometer data; the absorber is most likely unstable. Indeed, during the XMM-Newton observation, which was 6 months after, the absorber was not detected. No clear rollover in the hard X-ray emission is detected, probably due to the emergence of the jet as a dominant component in the hard X-ray band, as suggested by the detection above ˜100 keV with the GSO onboard Suzaku, although the present data do not allow us to firmly constrain the relative contribution of the different components. The fluxes observed by the γ-ray satellites CGRO and Fermi would be compatible with the putative jet component if peaking at energies E˜ 100 MeV. In the X-ray band, the jet contribution to the continuum starts to be significant only above 10 keV. If the detection of the jet component in 3C 111 is confirmed, then its relative importance in the X-ray energy band could explain the different observed properties in the high-energy emission of BLRGs, which are otherwise similar in their other multiwavelength properties. Comparison between X-ray and γ-ray data taken at different epochs suggests that the strong variability observed for 3C 111 is probably driven by a change in the primary continuum.

Application of parametric equations of motion to study the laser induced multiphoton dissociation of H2+ in intense laser field.

PubMed

Kalita, Dhruba J; Rao, Akshay; Rajvanshi, Ishir; Gupta, Ashish K

2011-06-14

We have applied parametric equations of motion (PEM) to study photodissociation dynamics of H(2)(+). The resonances are extracted using smooth exterior scaling method. This is the first application of PEM to non-Hermitian Hamiltonian that includes resonances and the continuum. Here, we have studied how the different resonance states behave with respect to the change in field amplitude. The advantage of this method is that one can easily trace the different states that are changing as the field parameter changes.

Phase-sensitive atomic dynamics in quantum light

NASA Astrophysics Data System (ADS)

Balybin, S. N.; Zakharov, R. V.; Tikhonova, O. V.

2018-05-01

Interaction between a quantum electromagnetic field and a model Ry atom with possible transitions to the continuum and to the low-lying resonant state is investigated. Strong sensitivity of atomic dynamics to the phase of applied coherent and squeezed vacuum light is found. Methods to extract the quantum field phase performing the measurements on the atomic system are proposed. In the case of the few-photon coherent state high accuracy of the phase determination is demonstrated, which appears to be much higher in comparison to the usually used quantum-optical methods such as homodyne detection.

Measuring Patients' Experience of Rehabilitation Services Across the Care Continuum. Part I: A Systematic Review of the Literature.

PubMed

McMurray, Josephine; McNeil, Heather; Lafortune, Claire; Black, Samantha; Prorok, Jeanette; Stolee, Paul

2016-01-01

To identify empirically tested survey instruments designed to measure patient experience across a rehabilitative care system. A comprehensive search was conducted of the MEDLINE (PubMed), CINAHL (EBSCO), and PsycINFO (APA PsycNET) databases from 2004 to 2014. Further searches were conducted in relevant journals and the reference lists of the final accepted articles. Of 2472 articles identified, 33 were selected for inclusion and analysis. Articles were excluded if they were unrelated to rehabilitative care, were anecdotal or descriptive reports, or had a veterinary, mental health, palliative care, dental, or pediatric focus. Four reviewers performed the screening process. Interrater reliability was confirmed through 2 rounds of title review (30 articles each) and 1 round of abstract review (10 articles), with an average κ score of .69. Data were extracted related to the instrument, study setting, and patient characteristics, including treated disease, type of rehabilitation (eg, occupational or physical therapy), methodology, sample size, and level of evidence. There were 25 discrete measurement instruments identified in the 33 articles evaluated. Seven of the instruments originated outside of the rehabilitative care sector, and only 1 measured service experience across the care continuum. As providers move to integrate rehabilitative care across the continuum from hospital to home, patients experience a system of care. Research is required to develop psychometrically tested instruments that measure patients' experience across a rehabilitative system. Copyright © 2016 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

Influence of extractives on wood gluing and finishing- a review

Treesearch

Chung-Yun Hse; Mon-Lin Kuo

1988-01-01

Migration of extractives to the wood surface alters the properties of wood as an adherent. Extractives change the wettability and the curing properties of adhesives. A desirable wettability-permeability relationship is sometimes affected by extractives, thus reducing the gluebond strength and performance. Past efforts to determine which of the components of extractives...

Computational Materials Research

NASA Technical Reports Server (NTRS)

Hinkley, Jeffrey A. (Editor); Gates, Thomas S. (Editor)

1996-01-01

Computational Materials aims to model and predict thermodynamic, mechanical, and transport properties of polymer matrix composites. This workshop, the second coordinated by NASA Langley, reports progress in measurements and modeling at a number of length scales: atomic, molecular, nano, and continuum. Assembled here are presentations on quantum calculations for force field development, molecular mechanics of interfaces, molecular weight effects on mechanical properties, molecular dynamics applied to poling of polymers for electrets, Monte Carlo simulation of aromatic thermoplastics, thermal pressure coefficients of liquids, ultrasonic elastic constants, group additivity predictions, bulk constitutive models, and viscoplasticity characterization.

Influence of extraction pH on the foaming, emulsification, oil-binding and visco-elastic properties of marama protein.

PubMed

Gulzar, Muhammad; Taylor, John Rn; Minnaar, Amanda

2017-11-01

Marama bean protein, as extracted previously at pH 8, forms a viscous, adhesive and extensible dough. To obtain a protein isolate with optimum functional properties, protein extraction under slightly acidic conditions (pH 6) was investigated. Two-dimensional electrophoresis showed that pH 6 extracted marama protein lacked some basic 11S legumin polypeptides, present in pH 8 extracted protein. However, it additionally contained acidic high molecular weight polypeptides (∼180 kDa), which were disulfide crosslinked into larger proteins. pH 6 extracted marama proteins had similar emulsification properties to soy protein isolate and several times higher foaming capacity than pH 8 extracted protein, egg white and soy protein isolate. pH 6 extracted protein dough was more elastic than pH 8 extracted protein, approaching the elasticity of wheat gluten. Marama protein extracted at pH 6 has excellent food-type functional properties, probably because it lacks some 11S polypeptides but has additional high molecular weight proteins. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

The XMM-Newton Wide Angle Survey (XWAS): the X-ray spectrum of type-1 AGN

NASA Astrophysics Data System (ADS)

Mateos, S.; Carrera, F. J.; Page, M. J.; Watson, M. G.; Corral, A.; Tedds, J. A.; Ebrero, J.; Krumpe, M.; Schwope, A.; Ceballos, M. T.

2010-02-01

Aims: We discuss the broad band X-ray properties of one of the largest samples of X-ray selected type-1 AGN to date (487 objects in total), drawn from the XMM-Newton Wide Angle Survey (XWAS). The objects presented in this work cover 2-10 keV (rest-frame) luminosities from 1042-1045 erg s-1 and are detected up to redshift 4. We constrain the overall properties of the broad band continuum, soft excess and X-ray absorption, along with their dependence on the X-ray luminosity and redshift. We discuss the implications for models of AGN emission. Methods: We fitted the observed 0.2-12 keV broad band spectra with various models to search for X-ray absorption and soft excess. The F-test was used with a significance threshold of 99% to statistically accept the detection of additional spectral components. Results: We constrained the mean spectral index of the broad band X-ray continuum to <Γ> = 1.96 ± 0.02 with intrinsic dispersion {σ< Γ >} = 0.27-0.02+0.01. The continuum becomes harder at faint fluxes and at higher redshifts and hard (2-10 keV) luminosities. The dependence of Γ with flux is likely due to undetected absorption rather than to spectral variation. We found a strong dependence of the detection efficiency of objects on the spectral shape. We expect this effect to have an impact on the measured mean continuum shapes of sources at different redshifts and luminosities. We detected excess absorption in ⪆3% of our objects, with rest-frame column densities a few ×1022 cm-2. The apparent mismatch between the optical classification and X-ray properties of these objects is a challenge for the standard orientation-based AGN unification model. We found that the fraction of objects with detected soft excess is 36%. Using a thermal model, we constrained the soft excess mean rest-frame temperature and intrinsic dispersion to kT 100 eV and σkT 34 eV. The origin of the soft excess as thermal emission from the accretion disk or Compton scattered disk emission is ruled out on the basis of the temperatures detected and the lack of correlation of the soft excess temperature with the hard X-ray luminosity over more than 2 orders of magnitude in luminosity. Furthermore, the high luminosities of the soft excess rule out an origin in the host galaxy.

Atomistic methodologies for material properties of 2D materials at the nanoscale

NASA Astrophysics Data System (ADS)

Zhang, Zhen

Research on two dimensional (2D) materials, such as graphene and MoS2, now involves thousands of researchers worldwide cutting across physics, chemistry, engineering and biology. Due to the extraordinary properties of 2D materials, research extends from fundamental science to novel applications of 2D materials. From an engineering point of view, understanding the material properties of 2D materials under various conditions is crucial for tailoring the electrical and mechanical properties of 2D-material-based devices at the nanoscale. Even at the nanoscale, molecular systems typically consist of a vast number of atoms. Molecular dynamics (MD) simulations enable us to understand the properties of assemblies of molecules in terms of their structure and the microscopic interactions between them. From a continuum approach, mechanical properties and thermal properties, such as strain, stress, and heat capacity, are well defined and experimentally measurable. In MD simulations, material systems are considered to be discrete, and only interatomic potential, interatomic forces, and atom positions are directly obtainable. Besides, most of the fracture mechanics concepts, such as stress intensity factors, are not applicable since there is no singularity in MD simulations. However, energy release rate still remains to be a feasible and crucial physical quantity to characterize the fracture mechanical property of materials at the nanoscale. Therefore, equivalent definition of a physical quantity both in atomic scale and macroscopic scale is necessary in order to understand molecular and continuum scale phenomena concurrently. This work introduces atomistic simulation methodologies, based on interatomic potential and interatomic forces, as a tool to unveil the mechanical properties, thermal properties and fracture mechanical properties of 2D materials at the nanoscale. Among many 2D materials, graphene and MoS2 have attracted intense interest. Therefore, we applied our methodologies to graphene and MoS2 as examples. Young's modulus, Poison's ratio, heat conductivity, heat capacity, and energy release rate at the nanoscale are studied. These findings lend compelling insights into the atomistic mechanisms of graphene and MoS2, and provide useful guidelines for the design of 2D-material-based nanodevices.

Antimicrobial, Optical and Mechanical Properties of Chitosan-Starch Films with Natural Extracts.

PubMed

Lozano-Navarro, Jessica I; Díaz-Zavala, Nancy P; Velasco-Santos, Carlos; Martínez-Hernández, Ana L; Tijerina-Ramos, Beatriz I; García-Hernández, Margarita; Rivera-Armenta, José L; Páramo-García, Ulises; Reyes-de la Torre, Adriana I

2017-05-05

Natural extracts possess several kinds of antioxidants (anthocyanins, betalains, thymol, carvacrol, and resveratrol) that have also demonstrated antimicrobial properties. In order to study these properties, extracts from cranberry, blueberry, beetroot, pomegranate, oregano, pitaya, and resveratrol (from grapes) were obtained. Growth inhibition tests of mesophilic aerobes, coliforms, and fungi were conducted in films prepared from the extracts in accordance with Mexican Official Norms (NOM). Optical properties such as transparency and opacity, mechanical properties, and pH were also analyzed in these materials. The films with beetroot, cranberry, and blueberry extracts demonstrated the best antimicrobial activity against various bacteria and fungi in comparison with unmodified chitosan-starch film. This study shows that the addition of antioxidants improved the antimicrobial performance of these films. It was also found that antimicrobial properties are inherent to the films. These polymers combined with the extracts effectively inhibit or reduce microorganism growth from human and environmental contact; therefore, previous sterilization could be unnecessary in comparison with traditional plastics. The presence of extracts decreased transmittance percentages at 280 and 400 nm, as well as the transparency values, while increasing their opacity values, providing better UV-VIS light barrier properties. Despite diminished glass transition temperatures ( T g), the values obtained are still adequate for food packaging applications.

Antimicrobial, Optical and Mechanical Properties of Chitosan–Starch Films with Natural Extracts

PubMed Central

Lozano-Navarro, Jessica I.; Díaz-Zavala, Nancy P.; Velasco-Santos, Carlos; Martínez-Hernández, Ana L.; Tijerina-Ramos, Beatriz I.; García-Hernández, Margarita; Rivera-Armenta, José L.; Páramo-García, Ulises; Reyes-de la Torre, Adriana I.

2017-01-01

Natural extracts possess several kinds of antioxidants (anthocyanins, betalains, thymol, carvacrol, and resveratrol) that have also demonstrated antimicrobial properties. In order to study these properties, extracts from cranberry, blueberry, beetroot, pomegranate, oregano, pitaya, and resveratrol (from grapes) were obtained. Growth inhibition tests of mesophilic aerobes, coliforms, and fungi were conducted in films prepared from the extracts in accordance with Mexican Official Norms (NOM). Optical properties such as transparency and opacity, mechanical properties, and pH were also analyzed in these materials. The films with beetroot, cranberry, and blueberry extracts demonstrated the best antimicrobial activity against various bacteria and fungi in comparison with unmodified chitosan–starch film. This study shows that the addition of antioxidants improved the antimicrobial performance of these films. It was also found that antimicrobial properties are inherent to the films. These polymers combined with the extracts effectively inhibit or reduce microorganism growth from human and environmental contact; therefore, previous sterilization could be unnecessary in comparison with traditional plastics. The presence of extracts decreased transmittance percentages at 280 and 400 nm, as well as the transparency values, while increasing their opacity values, providing better UV–VIS light barrier properties. Despite diminished glass transition temperatures (Tg), the values obtained are still adequate for food packaging applications. PMID:28475151

Extraction kinetics and properties of proanthocyanidins from pomegranate peel

USDA-ARS?s Scientific Manuscript database

With an objective of developing a safe and efficient method to extract proanthocyanidins products from pomegranate peel for use in nutraceuticals or as food additives, the effects of extraction parameters on the production efficiency, product properties, and extraction kinetics were systematically s...

Galaxies driven only by secular evolution?

NASA Astrophysics Data System (ADS)

Verdes-Montenegro, Lourdes

2015-03-01

The AMIGA project (Analysis of the interstellar Medium of Isolated GAlaxies, http://amiga.iaa.es) has identified a significant sample of very isolated (T cc (nearest-neighbor) ~2-3Gyr) galaxies in the local Universe and revealed that they have different properties than galaxies in richer environments. Our analysis of a multiwavelength database includes quantification of degree of isolation, morphologies, as well as FIR and radio line/continuum properties. Properties usually regarded as susceptible to interaction enhancement show lower averages in AMIGA-lower than any galaxy sample yet identified. We find lower MIR/FIR measures (Lisenfeld et al. 2007), low levels of radio continuum emission (Leon et al. 2008), no radioexcess above the radioFIR correlation (0%, Sabater et al.2008), a small number of AGN (22%, Sabater et al. 2012), and lower molecular gas content (Lisenfeld et al. 2011). The late-type spiral majority in our sample show very small bulge/total ratios (largely <0.1) and Sersic indices consistent with an absence of classical bulges (Durbala et al. 2008). They show redder g-r colors and lower color dispersion for AMIGA subtypes (Fernandez-Lorenzo et al. 2012) and show the narrowest (gaussian) distribution of HI profile asymmetries of any sample yet studied. This work has been supported by Grant AYA2011-30491-C02-01 co-financed by MICINN and FEDER funds, and the Junta de Andalucia (Spain) grants P08-FQM-4205 and TIC-114.

Anomalous properties of the acoustic excitations in glasses on the mesoscopic length scale.

PubMed

Monaco, Giulio; Mossa, Stefano

2009-10-06

The low-temperature thermal properties of dielectric crystals are governed by acoustic excitations with large wavelengths that are well described by plane waves. This is the Debye model, which rests on the assumption that the medium is an elastic continuum, holds true for acoustic wavelengths large on the microscopic scale fixed by the interatomic spacing, and gradually breaks down on approaching it. Glasses are characterized as well by universal low-temperature thermal properties that are, however, anomalous with respect to those of the corresponding crystalline phases. Related universal anomalies also appear in the low-frequency vibrational density of states and, despite a longstanding debate, remain poorly understood. By using molecular dynamics simulations of a model monatomic glass of extremely large size, we show that in glasses the structural disorder undermines the Debye model in a subtle way: The elastic continuum approximation for the acoustic excitations breaks down abruptly on the mesoscopic, medium-range-order length scale of approximately 10 interatomic spacings, where it still works well for the corresponding crystalline systems. On this scale, the sound velocity shows a marked reduction with respect to the macroscopic value. This reduction turns out to be closely related to the universal excess over the Debye model prediction found in glasses at frequencies of approximately 1 THz in the vibrational density of states or at temperatures of approximately 10 K in the specific heat.

Evaluation of Strain-Life Fatigue Curve Estimation Methods and Their Application to a Direct-Quenched High-Strength Steel

NASA Astrophysics Data System (ADS)

Dabiri, M.; Ghafouri, M.; Rohani Raftar, H. R.; Björk, T.

2018-03-01

Methods to estimate the strain-life curve, which were divided into three categories: simple approximations, artificial neural network-based approaches and continuum damage mechanics models, were examined, and their accuracy was assessed in strain-life evaluation of a direct-quenched high-strength steel. All the prediction methods claim to be able to perform low-cycle fatigue analysis using available or easily obtainable material properties, thus eliminating the need for costly and time-consuming fatigue tests. Simple approximations were able to estimate the strain-life curve with satisfactory accuracy using only monotonic properties. The tested neural network-based model, although yielding acceptable results for the material in question, was found to be overly sensitive to the data sets used for training and showed an inconsistency in estimation of the fatigue life and fatigue properties. The studied continuum damage-based model was able to produce a curve detecting early stages of crack initiation. This model requires more experimental data for calibration than approaches using simple approximations. As a result of the different theories underlying the analyzed methods, the different approaches have different strengths and weaknesses. However, it was found that the group of parametric equations categorized as simple approximations are the easiest for practical use, with their applicability having already been verified for a broad range of materials.

A continuum-based structural modeling approach for cellulose nanocrystals (CNCs)

NASA Astrophysics Data System (ADS)

Shishehbor, Mehdi; Dri, Fernando L.; Moon, Robert J.; Zavattieri, Pablo D.

2018-02-01

We present a continuum-based structural model to study the mechanical behavior of cellulose nanocrystals (CNCs), and analyze the effect of bonded and non-bonded interactions on the mechanical properties under various loading conditions. In particular, this model assumes the uncoupling between the bonded and non-bonded interactions and their behavior is obtained from atomistic simulations. Our results indicates that the major contribution to the tensile and bending stiffness is mainly due to the cellulose chain stiffness, and the shear behavior is mainly governed by Van der Waals (VdW) forces. In addition, we report a negligible torsional stiffness, which may explain the CNC tendency to easily twist under very small or nonexistent torques. In addition, the sensitivity of geometrical imperfection on the mechanical properties using an analytical model of the CNC structure was investigated. Our results indicate that the presence of imperfections have a small influence on the majority of the elastic properties. Finally, it is shown that a simple homogeneous and orthotropic representation of a CNC under bending underestimates the contribution of non-bonded interaction leading up to 60% error in the calculation of the bending stiffness of CNCs. On the other hand, the proposed model can lead to more accurate predictions of the elastic behavior of CNCs. This is the first step toward the development of a more efficient model that can be used to model the inelastic behavior of single and multiple CNCs.

Inferring giant planets from ALMA millimeter continuum and line observations in (transition) disks

NASA Astrophysics Data System (ADS)

Facchini, S.; Pinilla, P.; van Dishoeck, E. F.; de Juan Ovelar, M.

2018-05-01

Context. Radial gaps or cavities in the continuum emission in the IR-mm wavelength range are potential signatures of protoplanets embedded in their natal protoplanetary disk are. Hitherto, models have relied on the combination of mm continuum observations and near-infrared scattered light images to put constraints on the properties of embedded planets. Atacama Large Millimeter/submillimeter Array (ALMA) observations are now probing spatially resolved rotational line emission of CO and other chemical species. These observations can provide complementary information on the mechanism carving the gaps in dust and additional constraints on the purported planet mass. Aims: We investigate whether the combination of ALMA continuum and CO line observations can constrain the presence and mass of planets embedded in protoplanetary disks. Methods: We post-processed azimuthally averaged 2D hydrodynamical simulations of planet-disk models, in which the dust densities and grain size distributions are computed with a dust evolution code that considers radial drift, fragmentation, and growth. The simulations explored various planet masses (1 MJ ≤ Mp ≤ 15 MJ) and turbulent parameters (10-4 ≤ α ≤ 10-3). The outputs were then post-processed with the thermochemical code DALI, accounting for the radially and vertically varying dust properties. We obtained the gas and dust temperature structures, chemical abundances, and synthetic emission maps of both thermal continuum and CO rotational lines. This is the first study combining hydrodynamical simulations, dust evolution, full radiative transfer, and chemistry to predict gas emission of disks hosting massive planets. Results: All radial intensity profiles of 12CO, 13CO, and C18O show a gap at the planet location. The ratio between the location of the gap as seen in CO and the peak in the mm continuum at the pressure maximum outside the orbit of the planet shows a clear dependence on planet mass and is independent of disk viscosity for the parameters explored in this paper. Because of the low dust density in the gaps, the dust and gas components can become thermally decoupled and the gas becomes colder than the dust. The gaps seen in CO are due to a combination of gas temperature dropping at the location of the planet and of the underlying surface density profile. Both effects need to be taken into account and disentangled when inferring gas surface densities from observed CO intensity profiles; otherwise, the gas surface density drop at the planet location can easily be overestimated. CO line ratios across the gap are able to quantify the gas temperature drop in the gaps in observed systems. Finally, a CO cavity not observed in any of the models, only CO gaps, indicating that one single massive planet is not able to explain the CO cavities observed in transition disks, at least without additional physical or chemical mechanisms.

Shell stability and conditions analyzed using a new method of extracting shell areal density maps from spectrally resolved images of direct-drive inertial confinement fusion implosions

DOE PAGES

Johns, H. M.; Mancini, R. C.; Nagayama, T.; ...

2016-01-25

In warm target direct-drive inertial confinement fusion implosion experiments performed at the OMEGA laser facility, plastic micro-balloons doped with a titanium tracer layer in the shell and filled with deuterium gas were imploded using a low-adiabat shaped laser pulse. Continuum radiation emitted in the core is transmitted through the tracer layer and the resulting spectrum recorded with a gated multi-monochromatic x-ray imager (MMI). Titanium K-shell line absorption spectra observed in the data are due to transitions in L-shell titanium ions driven by the backlighting continuum. The MMI data consist of an array of spectrally resolved images of the implosion. Thesemore » 2-D space-resolved titanium spectral features constrain the plasma conditions and areal density of the titanium doped region of the shell. The MMI data were processed to obtain narrow-band images and space resolved spectra of titanium spectral features. Shell areal density maps, ρL(x,y), extracted using a new method using both narrow-band images and space resolved spectra are confirmed to be consistent within uncertainties. We report plasma conditions in the titanium-doped region of electron temperature (Te) = 400 ± 28 eV, electron number density (N e) = 8.5 × 10 24 ± 2.5 × 10 24 cm –3, and average areal density = 86 ± 7 mg/cm 2. Fourier analysis of areal density maps reveals shell modulations caused by hydrodynamic instability growth near the fuel-shell interface in the deceleration phase. We observe significant structure in modes l = 2–9, dominated by l = 2. We extract a target breakup fraction of 7.1 ± 1.5% from our Fourier analysis. Furthermore, a new method for estimating mix width is evaluated against existing literature and our target breakup fraction. We estimate a mix width of 10.5 ±1 μm.« less

HORMONAL PROPERTIES OF ETHANOLIC EXTRACT OF JUNIPERUS COMMUNIS LINN.

PubMed Central

Pathak, Sandhya; Tewari, R. K.; Prakash, A.O.

1990-01-01

To evaluate antifertility mode of action of extracts of Juniperus communis Linn., its various extracts were investigated for estrogenic, antiestrogenic, progestagenic and antiprogestagenic properties in laboratory animals. Investigations reveal that the extract possessed only antiprogestational activity which accounts for its antifertility effect. PMID:22556519

The effects of three commonly used extraction methods on the redox properties of extracellular polymeric substances from activated sludge.

PubMed

Lu, Qin; Chang, Ming; Yu, Zhen; Zhou, Shungui

2015-01-01

Recently, the redox properties of extracellular polymeric substances (EPS) have attracted the attention of scientists due to their associated environmental significance, such as organic pollutant (e.g. nitroaromatics and substituted nitrobenzenes) degradation and heavy metal (e.g. Cr(VI) and U(VI)) detoxification. Although the separation of EPS from bacterial cells is more often the first step in studies on EPS, and studies have demonstrated that extraction procedures can influence the sorption properties of EPS, few attempts have been made to investigate how separation methods affect the redox properties of the obtained EPS. In this study, three common extraction approaches, that is, centrifugation, formaldehyde+NaOH and ethylene diamine tetra-acetic acid (EDTA), were employed to extract EPS from activated sludge, and the obtained EPS were evaluated for their redox properties using electrochemical means, including cyclic voltammetry and chronoamperometry. In addition, spectroscopic techniques were utilized to explore the structural characteristics and composition of EPS. The results indicated that EPS extracted by EDTA clearly displayed reversible oxidation-reduction peaks in cyclic voltammograms and significantly higher electron-accepting capacity compared with EPS extracted using the other two approaches. Fourier transform infrared spectra and three-dimensional excitation-emission matrix spectra suggested that the EPS extracted with EDTA presented better redox properties because of the effective and efficient extraction of the humic substances, which are important components of the EPS of activated sludge. Therefore, extraction method has an impact on the composition and redox properties of EPS and should be chosen according to research purpose and EPS source.

Microstructural characterization, petrophysics and upscaling - from porous media to fractural media

NASA Astrophysics Data System (ADS)

Liu, J.; Liu, K.; Regenauer-Lieb, K.

2017-12-01

We present an integrated study for the characterization of complex geometry, fluid transport features and mechanical deformation at micro-scale and the upscaling of properties using microtomographic data: We show how to integrate microstructural characterization by the volume fraction, specific surface area, connectivity (percolation), shape and orientation of microstructures with identification of individual fractures from a 3D fractural network. In a first step we use stochastic analyses of microstructures to determine the geometric RVE (representative volume element) of samples. We proceed by determining the size of a thermodynamic RVE by computing upper/lower bounds of entropy production through Finite Element (FE) analyses on a series of models with increasing sizes. The minimum size for thermodynamic RVE's is identified on the basis of the convergence criteria of the FE simulations. Petrophysical properties (permeability and mechanical parameters, including plastic strength) are then computed numerically if thermodynamic convergence criteria are fulfilled. Upscaling of properties is performed by means of percolation theory. The percolation threshold is detected by using a shrinking/expanding algorithm on static micro-CT images of rocks. Parameters of the scaling laws can be extracted from quantitative analyses and/or numerical simulations on a series of models with similar structures but different porosities close to the percolation threshold. Different rock samples are analyzed. Characterizing parameters of porous/fractural rocks are obtained. Synthetic derivative models of the microstructure are used to estimate the relationships between porosity and mechanical properties. Results obtained from synthetic sandstones show that yield stress, cohesion and the angle of friction are linearly proportional to porosity. Our integrated study shows that digital rock technology can provide meaningful parameters for effective upscaling if thermodynamic volume averaging satisfies the convergence criteria. For strongly heterogeneous rocks, however, thermodynamic convergence criteria may not meet; a continuum approach cannot be justified in this case.

Changes in functional and structural brain connectome along the Alzheimer's disease continuum.

PubMed

Filippi, Massimo; Basaia, Silvia; Canu, Elisa; Imperiale, Francesca; Magnani, Giuseppe; Falautano, Monica; Comi, Giancarlo; Falini, Andrea; Agosta, Federica

2018-05-09

The aim of this study was two-fold: (i) to investigate structural and functional brain network architecture in patients with Alzheimer's disease (AD) and amnestic mild cognitive impairment (aMCI), stratified in converters (c-aMCI) and non-converters (nc-aMCI) to AD; and to assess the relationship between healthy brain network functional connectivity and the topography of brain atrophy in patients along the AD continuum. Ninety-four AD patients, 47 aMCI patients (25 c-aMCI within 36 months) and 53 age- and sex-matched healthy controls were studied. Graph analysis and connectomics assessed global and local, structural and functional topological network properties and regional connectivity. Healthy topological features of brain regions were assessed based on their connectivity with the point of maximal atrophy (epicenter) in AD and aMCI patients. Brain network graph analysis properties were severely altered in AD patients. Structural brain network was already altered in c-aMCI patients relative to healthy controls in particular in the temporal and parietal brain regions, while functional connectivity did not change. Structural connectivity alterations distinguished c-aMCI from nc-aMCI cases. In both AD and c-aMCI, the point of maximal atrophy was located in left hippocampus (disease-epicenter). Brain regions most strongly connected with the disease-epicenter in the healthy functional connectome were also the most atrophic in both AD and c-aMCI patients. Progressive degeneration in the AD continuum is associated with an early breakdown of anatomical brain connections and follows the strongest connections with the disease-epicenter. These findings support the hypothesis that the topography of brain connectional architecture can modulate the spread of AD through the brain.

Design of Rock Slope Reinforcement: An Himalayan Case Study

NASA Astrophysics Data System (ADS)

Tiwari, Gaurav; Latha, Gali Madhavi

2016-06-01

The stability analysis of the two abutment slopes of a railway bridge proposed at about 359 m above the ground level, crossing a river and connecting two hill faces in the Himalayas, India, is presented. The bridge is located in a zone of high seismic activity. The rock slopes are composed of a heavily jointed rock mass and the spacing, dip and dip direction of joint sets are varying at different locations. Geological mapping was carried out to characterize all discontinuities present along the slopes. Laboratory and field investigations were conducted to assess the geotechnical properties of the intact rock, rock mass and joint infill. Stability analyses of these rock slopes were carried out using numerical programmes. Loads from the foundations resting on the slopes and seismic accelerations estimated from site-specific ground response analysis were considered. The proposed slope profile with several berms between successive foundations was simulated in the numerical model. An equivalent continuum approach with Hoek and Brown failure criterion was initially used in a finite element model to assess the global stability of the slope abutments. In the second stage, finite element analysis of rock slopes with all joint sets with their orientations, spacing and properties explicitly incorporated into the numerical model was taken up using continuum with joints approach. It was observed that the continuum with joints approach was able to capture the local failures in some of the slope sections, which were verified using wedge failure analysis and stereographic projections. Based on the slope deformations and failure patterns observed from the numerical analyses, rock anchors were designed to achieve the target factors of safety against failure while keeping the deformations within the permissible limits. Detailed design of rock anchors and comparison of the stability of slopes with and without reinforcement are presented.

A proposed method for enhanced eigen-pair extraction using finite element methods: Theory and application

NASA Technical Reports Server (NTRS)

Jara-Almonte, J.; Mitchell, L. D.

1988-01-01

The paper covers two distinct parts: theory and application. The goal of this work was the reduction of model size with an increase in eigenvalue/vector accuracy. This method is ideal for the condensation of large truss- or beam-type structures. The theoretical approach involves the conversion of a continuum transfer matrix beam element into an 'Exact' dynamic stiffness element. This formulation is implemented in a finite element environment. This results in the need to solve a transcendental eigenvalue problem. Once the eigenvalue is determined the eigenvectors can be reconstructed with any desired spatial precision. No discretization limitations are imposed on the reconstruction. The results of such a combined finite element and transfer matrix formulation is a much smaller FEM eigenvalue problem. This formulation has the ability to extract higher eigenvalues as easily and as accurately as lower eigenvalues. Moreover, one can extract many more eigenvalues/vectors from the model than the number of degrees of freedom in the FEM formulation. Typically, the number of eigenvalues accurately extractable via the 'Exact' element method are at least 8 times the number of degrees of freedom. In contrast, the FEM usually extracts one accurate (within 5 percent) eigenvalue for each 3-4 degrees of freedom. The 'Exact' element results in a 20-30 improvement in the number of accurately extractable eigenvalues and eigenvectors.

Physical rehabilitation interventions for adult patients with critical illness across the continuum of recovery: an overview of systematic reviews protocol.

PubMed

Connolly, Bronwen; O'Neill, Brenda; Salisbury, Lisa; McDowell, Kathryn; Blackwood, Bronagh

2015-09-29

Patients admitted to the intensive care unit with critical illness often experience significant physical impairments, which typically persist for many years following resolution of the original illness. Physical rehabilitation interventions that enhance restoration of physical function have been evaluated across the continuum of recovery following critical illness including within the intensive care unit, following discharge to the ward and beyond hospital discharge. Multiple systematic reviews have been published appraising the expanding evidence investigating these physical rehabilitation interventions, although there appears to be variability in review methodology and quality. We aim to conduct an overview of existing systematic reviews of physical rehabilitation interventions for adult intensive care patients across the continuum of recovery. This protocol has been developed according to the Preferred Reporting Items for Systematic Reviews and Meta-Analyses Protocol (PRISMA-P) guidelines. We will search the Cochrane Systematic Review Database, Database of Abstracts of Reviews of Effectiveness, Cochrane Central Register of Controlled Trials, MEDLINE, Excerpta Medica Database and Cumulative Index to Nursing and Allied Health Literature databases. We will include systematic reviews of randomised controlled trials of adult patients, admitted to the intensive care unit and who have received physical rehabilitation interventions at any time point during their recovery. Data extraction will include systematic review aims and rationale, study types, populations, interventions, comparators, outcomes and quality appraisal method. Primary outcomes of interest will focus on findings reflecting recovery of physical function. Quality of reporting and methodological quality will be appraised using the PRISMA checklist and the Assessment of Multiple Systematic Reviews tool. We anticipate the findings from this novel overview of systematic reviews will contribute to the synthesis and interpretation of existing evidence regarding physical rehabilitation interventions and physical recovery in post-critical illness patients across the continuum of recovery. PROSPERO CRD42015001068.

[Continuum based fast Fourier transform processing of infrared spectrum].

PubMed

Liu, Qing-Jie; Lin, Qi-Zhong; Wang, Qin-Jun; Li, Hui; Li, Shuai

2009-12-01

To recognize ground objects with infrared spectrum, high frequency noise removing is one of the most important phases in spectrum feature analysis and extraction. A new method for infrared spectrum preprocessing was given combining spectrum continuum processing and Fast Fourier Transform (CFFT). Continuum was firstly removed from the noise polluted infrared spectrum to standardize hyper-spectra. Then the spectrum was transformed into frequency domain (FD) with fast Fourier transform (FFT), separating noise information from target information After noise eliminating from useful information with a low-pass filter, the filtered FD spectrum was transformed into time domain (TD) with fast Fourier inverse transform. Finally the continuum was recovered to the spectrum, and the filtered infrared spectrum was achieved. Experiment was performed for chlorite spectrum in USGS polluted with two kinds of simulated white noise to validate the filtering ability of CFFT by contrast with cubic function of five point (CFFP) in time domain and traditional FFT in frequency domain. A circle of CFFP has limited filtering effect, so it should work much with more circles and consume more time to achieve better filtering result. As for conventional FFT, Gibbs phenomenon has great effect on preprocessing result at edge bands because of special character of rock or mineral spectra, while works well at middle bands. Mean squared error of CFFT is 0. 000 012 336 with cut-off frequency of 150, while that of FFT and CFFP is 0. 000 061 074 with cut-off frequency of 150 and 0.000 022 963 with 150 working circles respectively. Besides the filtering result of CFFT can be improved by adjusting the filter cut-off frequency, and has little effect on working time. The CFFT method overcomes the Gibbs problem of FFT in spectrum filtering, and can be more convenient, dependable, and effective than traditional TD filter methods.

Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model

NASA Astrophysics Data System (ADS)

Nicolotti, Orazio; Giangreco, Ilenia; Miscioscia, Teresa Fabiola; Convertino, Marino; Leonetti, Francesco; Pisani, Leonardo; Carotti, Angelo

2010-02-01

A series of 27 benzamidine inhibitors covering a wide range of biological activity and chemical diversity was analysed to derive a Linear Interaction Energy in Continuum Electrostatics (LIECE) model for analysing the thrombin inhibitory activity. The main interactions occurring at the thrombin binding site and the preferred binding conformations of inhibitors were explicitly biased by including into the LIECE model 10 compounds extracted from X-ray solved thrombin-inhibitor complexes available from the Protein Data Bank (PDB). Supported by a robust statistics ( r 2 = 0.698; q 2 = 0.662), the LIECE model was successful in predicting the inhibitory activity for about 76% of compounds ( r ext 2 ≥ 0.600) from a larger external test set encompassing 88 known thrombin inhibitors and, more importantly, in retrieving, at high sensitivity and with better performance than docking and shape-based methods, active compounds from a thrombin combinatorial library of 10240 mimetic chemical products. The herein proposed LIECE model has the potential for successfully driving the design of novel thrombin inhibitors with benzamidine and/or benzamidine-like chemical structure.

Precision measurement of the electromagnetic dipole strengths in Be11

NASA Astrophysics Data System (ADS)

Kwan, E.; Wu, C. Y.; Summers, N. C.; Hackman, G.; Drake, T. E.; Andreoiu, C.; Ashley, R.; Ball, G. C.; Bender, P. C.; Boston, A. J.; Boston, H. C.; Chester, A.; Close, A.; Cline, D.; Cross, D. S.; Dunlop, R.; Finlay, A.; Garnsworthy, A. B.; Hayes, A. B.; Laffoley, A. T.; Nano, T.; Navrátil, P.; Pearson, C. J.; Pore, J.; Quaglioni, S.; Svensson, C. E.; Starosta, K.; Thompson, I. J.; Voss, P.; Williams, S. J.; Wang, Z. M.

2014-05-01

The electromagnetic dipole strength in Be11 between the bound states has been measured using low-energy projectile Coulomb excitation at bombarding energies of 1.73 and 2.09 MeV/nucleon on a Pt196 target. An electric dipole transition probability B(E1;1/2-→1/2+)=0.102(2) e2fm was determined using the semi-classical code Gosia, and a value of 0.098(4) e2fm was determined using the Extended Continuum Discretized Coupled Channels method with the quantum mechanical code FRESCO. These extracted B(E1) values are consistent with the average value determined by a model-dependent analysis of intermediate energy Coulomb excitation measurements and are approximately 14% lower than that determined by a lifetime measurement. The much-improved precisions of 2% and 4% in the measured B(E1) values between the bound states deduced using Gosia and the Extended Continuum Discretized Coupled Channels method, respectively, compared to the previous accuracy of ˜10% will help in our understanding of and better improve the realistic inter-nucleon interactions.

Strong coupling constant from Adler function in lattice QCD

NASA Astrophysics Data System (ADS)

Hudspith, Renwick J.; Lewis, Randy; Maltman, Kim; Shintani, Eigo

2016-09-01

We compute the QCD coupling constant, αs, from the Adler function with vector hadronic vacuum polarization (HVP) function. On the lattice, Adler function can be measured by the differential of HVP at two different momentum scales. HVP is measured from the conserved-local vector current correlator using nf = 2 + 1 flavor Domain Wall lattice data with three different lattice cutoffs, up to a-1 ≈ 3.14 GeV. To avoid the lattice artifact due to O(4) symmetry breaking, we set the cylinder cut on the lattice momentum with reflection projection onto vector current correlator, and it then provides smooth function of momentum scale for extracted HVP. We present a global fit of the lattice data at a justified momentum scale with three lattice cutoffs using continuum perturbation theory at 𝒪(αs4) to obtain the coupling in the continuum limit at arbitrary scale. We take the running to Z boson mass through the appropriate thresholds, and obtain αs(5)(MZ) = 0.1191(24)(37) where the first is statistical error and the second is systematic one.

Electrical characterization of plasma-grown oxides on gallium arsenide

NASA Technical Reports Server (NTRS)

Hshieh, F. I.; Bhat, K. N.; Ghandhi, S. K.; Borrego, J. M.

1985-01-01

Plasma-grown GaAs oxides and their interfaces have been characterized by measuring the electrical properties of metal-oxide-semiconductor capacitors and of Schottky junctions. The current transport mechanism in the oxide at high electrical field was found to be Frankel-Poole emission, with an electron trap center at 0.47 eV below the conduction band of the oxide. The interface-state density, evaluated from capacitance and conductance measurements, exhibits a U-shaped interface-state continuum extending over the entire band gap. Two discrete deep states with high concentration are superimposed on this continuum at 0.40 and 0.70 eV below the conduction band. The results obtained from measurements on Schottky junctions have excluded the possibility that these two deep states originate from plasma damage. Possible origins of these states are discussed in this paper.

Zooming in and out from the Mental Number Line: Evidence for a Number Range Effect

ERIC Educational Resources Information Center

Pinhas, Michal; Pothos, Emmanuel M.; Tzelgov, Joseph

2013-01-01

The representation of numbers is commonly viewed as an ordered continuum of magnitudes, referred to as the "mental number line." Previous work has repeatedly shown that number representations evoked by a given task can be easily altered, yielding an ongoing discussion about the basic properties of the mental number line and how malleable…

Where is the continuum in lattice quantum chromodynamics?

NASA Technical Reports Server (NTRS)

Kennedy, A. D.; Pendleton, B. J.; Kuti, J.; Meyer, S.

1985-01-01

A Monte Carlo calculation of the quark-liberating phase transition in lattice quantum chromodynamics is presented. The transition temperature as a function of the lattice coupling g does not scale according to the perturbative beta function for 6/g-squared less than 6.1. Finite-size scaling is used in analyzing the properties of the lattice system near the transition point.

Saha equation, single and two particle states

NASA Technical Reports Server (NTRS)

Kraeft, W. D.; Girardeau, M. D.; Strege, B.

1990-01-01

Single- and two-particle properties in a dense plasma are discussed in connection with their role in the mass action law for a partially ionized plasma. The two-particle-bound states are nearly density independent, while the continuum is essentially shifted. The single-particle states are damped, and their energy has a negative shift and a parabolic behavior for small momenta.

Ion transport in sub-5-nm graphene nanopores.

PubMed

Suk, Myung E; Aluru, N R

2014-02-28

Graphene nanopore is a promising device for single molecule sensing, including DNA bases, as its single atom thickness provides high spatial resolution. To attain high sensitivity, the size of the molecule should be comparable to the pore diameter. However, when the pore diameter approaches the size of the molecule, ion properties and dynamics may deviate from the bulk values and continuum analysis may not be accurate. In this paper, we investigate the static and dynamic properties of ions with and without an external voltage drop in sub-5-nm graphene nanopores using molecular dynamics simulations. Ion concentration in graphene nanopores sharply drops from the bulk concentration when the pore radius is smaller than 0.9 nm. Ion mobility in the pore is also smaller than bulk ion mobility due to the layered liquid structure in the pore-axial direction. Our results show that a continuum analysis can be appropriate when the pore radius is larger than 0.9 nm if pore conductivity is properly defined. Since many applications of graphene nanopores, such as DNA and protein sensing, involve ion transport, the results presented here will be useful not only in understanding the behavior of ion transport but also in designing bio-molecular sensors.

Quantum spin chains with multiple dynamics

NASA Astrophysics Data System (ADS)

Chen, Xiao; Fradkin, Eduardo; Witczak-Krempa, William

2017-11-01

Many-body systems with multiple emergent time scales arise in various contexts, including classical critical systems, correlated quantum materials, and ultracold atoms. We investigate such nontrivial quantum dynamics in a different setting: a spin-1 bilinear-biquadratic chain. It has a solvable entangled ground state, but a gapless excitation spectrum that is poorly understood. By using large-scale density matrix renormalization group simulations, we find that the lowest excitations have a dynamical exponent z that varies from 2 to 3.2 as we vary a coupling in the Hamiltonian. We find an additional gapless mode with a continuously varying exponent 2 ≤z <2.7 , which establishes the presence of multiple dynamics. In order to explain these striking properties, we construct a continuum wave function for the ground state, which correctly describes the correlations and entanglement properties. We also give a continuum parent Hamiltonian, but show that additional ingredients are needed to capture the excitations of the chain. By using an exact mapping to the nonequilibrium dynamics of a classical spin chain, we find that the large dynamical exponent is due to subdiffusive spin motion. Finally, we discuss the connections to other spin chains and to a family of quantum critical models in two dimensions.

ISM Properties of a Massive Dusty Star-forming Galaxy Discovered at z ˜ 7

NASA Astrophysics Data System (ADS)

Strandet, M. L.; Weiss, A.; De Breuck, C.; Marrone, D. P.; Vieira, J. D.; Aravena, M.; Ashby, M. L. N.; Béthermin, M.; Bothwell, M. S.; Bradford, C. M.; Carlstrom, J. E.; Chapman, S. C.; Cunningham, D. J. M.; Chen, Chian-Chou; Fassnacht, C. D.; Gonzalez, A. H.; Greve, T. R.; Gullberg, B.; Hayward, C. C.; Hezaveh, Y.; Litke, K.; Ma, J.; Malkan, M.; Menten, K. M.; Miller, T.; Murphy, E. J.; Narayanan, D.; Phadke, K. A.; Rotermund, K. M.; Spilker, J. S.; Sreevani, J.

2017-06-01

We report the discovery and constrain the physical conditions of the interstellar medium of the highest-redshift millimeter-selected dusty star-forming galaxy to date, SPT-S J031132-5823.4 (hereafter SPT0311-58), at z=6.900+/- 0.002. SPT0311-58 was discovered via its 1.4 mm thermal dust continuum emission in the South Pole Telescope (SPT)-SZ survey. The spectroscopic redshift was determined through an Atacama Large Millimeter/submillimeter Array 3 mm frequency scan that detected CO(6-5), CO(7-6), and [{{C}} {{I}}](2-1), and subsequently was confirmed by detections of CO(3-2) with the Australia Telescope Compact Array and [{{C}} {{II}}] with APEX. We constrain the properties of the ISM in SPT0311-58 with a radiative transfer analysis of the dust continuum photometry and the CO and [{{C}} {{I}}] line emission. This allows us to determine the gas content without ad hoc assumptions about gas mass scaling factors. SPT0311-58 is extremely massive, with an intrinsic gas mass of {M}{gas}=3.3+/- 1.9× {10}11 {M}⊙ . Its large mass and intense star formation is very rare for a source well into the epoch of reionization.

Dynamics of a Tapped Granular Column

NASA Astrophysics Data System (ADS)

Rosato, Anthony; Blackmore, Denis; Zuo, Luo; Hao, Wu; Horntrop, David

2015-11-01

We consider the behavior of a column of spheres subjected to a time-dependent vertical taps. Of interest are various dynamical properties, such as the motion of its mass center, its response to taps of different intensities and forms, and the effect of system size and material properties. The interplay between diverse time and length scales are the key contributors to the column's evolving dynamics. Soft sphere discrete element simulations were conducted over a very wide parameter space to obtain a portrait of column behavior as embodied by the collective dynamics of the mass center motion. Results compared favorably with a derived reduced-order paradigm of the mass center motion (surprisingly analogous to that for a single bouncing ball on an oscillating plate) with respect to dynamical regimes and their transitions. A continuum model obtained from a system of Newtonian equations, as a locally averaged limit in the transport mode along trajectories is described, and a numerical solution protocol for a one-dimensional system is outlined. Typical trajectories and density evolution profiles are shown. We conclude with a discussion of our investigations to relate predictions of the continuum and reduced dynamical systems models with discrete simulations.

Chemical composition and antioxidant properties of γ-irradiated Iranian Zataria multiflora extracts.

PubMed

Fatemi, F; Asri, Y; Rasooli, I; Alipoor, Sh D; Shaterloo, M

2012-02-01

Irradiation is the process of exposing food such as herbal plant to ionizing radiation to destroy microorganisms. Zataria multiflora Boiss (Lamiaceae), known as Avishan-e-Shirazi in Persian, is a thyme-like plant that grows naturally in central and southern parts of Iran and is used in traditional folk medicine. In this study, the effects of γ-radiation on chemical composition and antioxidant properties of Z. multiflora were investigated. The plants were first irradiated with Co60 source (0, 10, and 25 kGy) and then subjected to Clevenger extraction to obtain essential oils. The composition of the oil was analyzed by a gas chromatography and compared with samples pretreated under different conditions. In parallel, the hydroalcoholic extract was prepared and used for measuring flavonoid content. Thereafter, the free-radical scavenging and antioxidant properties of essential oils and hydroalcoholic extract were examined. Despite the minor change in the individual oil constituents, the total percentage of the main components remained unaffected before and after irradiation (~95%). In addition, the total flavonoid content of hydroalcoholic extract was also unchanged due to irradiation (~32 mg QE/g extract). The high radical scavenging activity of the oil (~67%) and hydroalcoholic extract (~71%), in addition, the antioxidant properties of the oil (~91%) and hydroalcoholic extract (~95%), were unaffected after irradiation. These findings may suggest the sustainability of Z. multiflora extract properties pretreated with γ-radiation. With a view to its antioxidant applications, resistance of Z. multiflora and its properties against radiation effects are promising findings.

Complex rheological properties of a water-soluble extract from the fronds of the black tree fern, Cyathea medullaris.

PubMed

Goh, Kelvin K T; Matia-Merino, Lara; Hall, Christopher E; Moughan, Paul J; Singh, Harjinder

2007-11-01

A water-soluble extract was obtained from the fronds of a New Zealand native black tree fern (Cyathea medullaris or Mamaku in Māori). The extract exhibited complex rheological behavior. Newtonian, shear-thinning, shear-thickening, thixotropic, antithixotropic, and viscoelastic behaviors were observed depending on polymer concentration, shear rate, and shear history. The extract also displayed rod-climbing and self-siphoning properties typical of viscoelastic fluids. Such complex rheological properties have been reported in synthetic or chemically modified polymers but are less frequent in unmodified biopolymers. Although Mamaku extract obtained from the pith of the fern has been traditionally used by the Māori in New Zealand for treating wounds and diarrhea among other ailments, this material has never been characterized before. This study reports on the chemical composition of the extract and on its viscoelastic properties through rotational and oscillatory rheological measurements. Explanations of the mechanism behind the rheological properties were based on transient network models for associating polymers.

77 FR 45367 - Continuum of Care Homeless Assistance Grant Application; Continuum of Care Application

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-31

... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT [Docket No. FR-5603-N-53] Continuum of Care Homeless Assistance Grant Application; Continuum of Care Application AGENCY: Office of the Chief Information Officer..., called Continuums of Care (CoC), will complete the Exhibit 1 of the Continuum of Care Homeless Assistance...

Direct Lyman continuum and Ly α escape observed at redshift 4

NASA Astrophysics Data System (ADS)

Vanzella, E.; Nonino, M.; Cupani, G.; Castellano, M.; Sani, E.; Mignoli, M.; Calura, F.; Meneghetti, M.; Gilli, R.; Comastri, A.; Mercurio, A.; Caminha, G. B.; Caputi, K.; Rosati, P.; Grillo, C.; Cristiani, S.; Balestra, I.; Fontana, A.; Giavalisco, M.

2018-05-01

We report on the serendipitous discovery of a z = 4.0, M1500 = -22.20 star-forming galaxy (Ion3) showing copious Lyman continuum (LyC) leakage (˜60 per cent escaping), a remarkable multiple peaked Ly α emission, and significant Ly α radiation directly emerging at the resonance frequency. This is the highest redshift confirmed LyC emitter in which the ionizing and Ly α radiation possibly share a common ionized channel (with NH I < 1017.2 cm-2). Ion3 is spatially resolved, it shows clear stellar winds signatures like the P-Cygni N Vλ1240 profile, and has blue ultraviolet continuum (β = -2.5 ± 0.25, Fλ ˜ λβ) with weak low-ionization interstellar metal lines. Deep VLT/HAWKI Ks and Spitzer/IRAC 3.6 and 4.5μm imaging show a clear photometric signature of the H α line with equivalent width of 1000 Å rest-frame emerging over a flat continuum (Ks - 4.5μm ≃ 0). From the SED fitting, we derive a stellar mass of 1.5 × 109 M⊙, SFR of 140 M⊙ yr-1 and age of ˜10 Myr, with a low dust extinction, E(B - V) ≲ 0.1, placing the source in the starburst region of the SFR-M* plane. Ion3 shows similar properties of another LyC emitter previously discovered (z = 3.21, Ion2, Vanzella et al. 2016). Ion3 (and Ion2) represents ideal high-redshift reference cases to guide the search for reionizing sources at z > 6.5 with JWST.

Equivalence between three scattering formulations for ultrasonic wave propagation in particulate mixtures

NASA Astrophysics Data System (ADS)

Challis, R. E.; Tebbutt, J. S.; Holmes, A. K.

1998-12-01

The aim of this paper is to present a unified approach to the calculation of the complex wavenumber for a randomly distributed ensemble of homogeneous isotropic spheres suspended in a homogeneous isotropic continuum. Three classical formulations of the diffraction problem for a compression wave incident on a single particle are reviewed; the first is for liquid particles in a liquid continuum (Epstein and Carhart), the second for solid or liquid particles in a liquid continuum (Allegra and Hawley), and the third for solid particles in a solid continuum (Ying and Truell). Equivalences between these formulations are demonstrated and it is shown that the Allegra and Hawley formulation can be adapted to provide a basis for calculation in all three regimes. The complex wavenumber that results from an ensemble of such scatterers is treated using the formulations of Foldy (simple forward scattering), Waterman and Truell, and Lloyd and Berry (multiple scattering). The analysis is extended to provide an approximation for the case of a distribution of particle sizes in the mixture. A number of experimental measurements using a broadband spectrometric technique (reported elsewhere) to obtain the attenuation coefficient and phase velocity as functions of frequency are presented for various mixtures of differing contrasts in physical properties between phases in order to provide a comparison with theory. The materials used were aqueous suspensions of polystyrene spheres, silica spheres, iron spheres, 0022-3727/31/24/012/img1 pigment (AHR), droplets of 1-bromohexadecane, and a suspension of talc particles in a cured epoxy resin.

RADIO OBSERVATIONS OF THE STAR FORMATION ACTIVITIES IN THE NGC 2024 FIR 4 REGION

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

Choi, Minho; Kang, Miju; Lee, Jeong-Eun, E-mail: minho@kasi.re.kr

Star formation activities in the NGC 2024 FIR 4 region were studied by imaging centimeter continuum sources and water maser sources using several archival data sets from the Very Large Array. The continuum source VLA 9 is elongated in the northwest–southeast direction, consistent with the FIR 4 bipolar outflow axis, and has a flat spectrum in the 6.2–3.6 cm interval. The three water maser spots associated with FIR 4 are also distributed along the outflow axis. One of the spots is located close to VLA 9, and another one is close to an X-ray source. Examinations of the positions ofmore » compact objects in this region suggest that the FIR 4 cloud core contains a single low-mass protostar. VLA 9 is the best indicator of the protostellar position. VLA 9 may be a radio thermal jet driven by this protostar, and it is unlikely that FIR 4 contains a high-mass young stellar object (YSO). A methanol 6.7 GHz maser source is located close to VLA 9, at a distance of about 100 AU. The FIR 4 protostar must be responsible for the methanol maser action, which suggests that methanol class II masers are not necessarily excited by high-mass YSOs. Also discussed are properties of other centimeter continuum sources in the field of view and the water masers associated with FIR 6n. Some of the continuum sources are radio thermal jets, and some are magnetically active young stars.« less

Syzyguim guineense Extracts Show Antioxidant Activities and Beneficial Activities on Oxidative Stress Induced by Ferric Chloride in the Liver Homogenate

PubMed Central

Pieme, Constant Anatole; Ngoupayo, Joseph; Khou-Kouz Nkoulou, Claude Herve; Moukette Moukette, Bruno; Njinkio Nono, Borgia Legrand; Ama Moor, Vicky Jocelyne; Ze Minkande, Jacqueline; Yonkeu Ngogang, Jeanne

2014-01-01

The aim of this study was to determine the in vitro antioxidant activity, free radical scavenging property and the beneficial effects of extracts of various parts of Syzygium guineense in reducing oxidative stress damage in the liver. The effects of extracts on free radicals were determined on radicals DPPH, ABTS, NO and OH followed by the antioxidant properties using Ferric Reducing Antioxidant Power assay (FRAP) and hosphomolybdenum (PPMB). The phytochemical screening of these extracts was performed by determination of the phenolic content. The oxidative damage inhibition in the liver was determined by measuring malondialdehyde (MDA) as well as the activity of the antioxidant enzymes superoxide dismutase (SOD), catalase (CAT) and peroxidase. Overall, the bark extract of the ethanol/water or methanol showed the highest radical scavenging activities against DPPH, ABTS and OH radicals compared to the other extracts. This extract also contained the highest phenolic content implying the potential contribution of phenolic compounds towards the antioxidant activities. However, the methanol extract of the root demonstrated the highest protective effects of SOD and CAT against ferric chloride while the hydro-ethanol extract of the leaves exhibited the highest inhibitory effects on lipid peroxidation. These findings suggest that antioxidant properties of S. guineense extracts could be attributed to phenolic compounds revealed by phytochemical studies. Thus, the present results indicate clearly that the extracts of S. guineense possess antioxidant properties and could serve as free radical inhibitors or scavengers, acting possibly as primary antioxidants. The antioxidant properties of the bark extract may thus sustain its various biological activities. PMID:26785075

The REX survey as a Tool to Test the Beaming Model for BL Lacs

NASA Astrophysics Data System (ADS)

Caccianiga, A.; della Ceca, R.; Gioia, I. M.; Maccacaro, T.; Wolter, A.

We present the preliminary properties of the BL Lacs discovered in the REX survey (Caccianiga et al. 1998). In particular, we discuss a few sources with optical spectral properties ``intermediate'' between those of BL Lacs and those of elliptical galaxies. These objects could harbour weak (in the optical band) sources of non-thermal continuum in their nuclei and, if confirmed, they could represent the faint tail of the BL Lac population. The existence of such ``weak'' BL Lacs is matter of discussion in recent literature (e.g. Marcha et al. 1996) and could lead to a revision of the defining criteria of a BL Lac and, consequently, of their cosmological and statistical properties.

Antioxidant, antimicrobial, toxicity and analgesic properties of ethanol extract of Solena amplexicaulis root.

PubMed

Kabir, Md Golam; Rahman, Md Monsor; Ahmed, Nazim Uddin; Fakruddin, Md; Islam, Saiful; Mazumdar, Reaz Mohammad

2014-08-19

This study was subjected to investigate different pharmacological properties of ethanol extract of Solena amplexicaulis root. The extract contains flavonoid, alkaloid, saponin and steroid compounds. The extract exhibited excellent antioxidant activity in DPPH radical scavenging activity. The extract also showed potent activity in brine shrimp lethality bioassay. The LC50 value was found to 44.677 μg/ml. The extract showed better anti-bacterial activity against gram-negative bacteria. In antifungal assay, the maximum 79.31% of anti-mycotic activity was observed against Aspergillus ochraceus while minimum 44.2% against Rhizopus oryzae. MIC value ranged between 1500-3000 μg/ml. The extract was found moderately toxic with a 24-hr LD50 value of 81.47 mg/kg in Swiss albino mice. The degree of inhibition by the ethanolic extract of the root was found less than that of standard analgesic drug diclofenac sodium. The extract also showed moderate anti-inflammatory and antinociceptive activity and anti-diabetic property. Reducing power of the extract was comparable with standard ascorbic acid. Moderate in vitro thrombolytic activity, lipid peroxidation inhibition property, metal chelating ability and stress-protective activity was also observed. Ethanol extract of Solena amplexicaulis root can be valuable for treatment of different diseases.

Thermal Emission Spectroscopy (5.2 To 38 Microns) And Analysis Of 10 Near-earth Asteroids

NASA Astrophysics Data System (ADS)

Dave, Riddhi; Emery, J.; Cruikshank, D.; Mueller, M.; Delbo, M.; Trilling, D. E.; Mommert, M.

2010-10-01

Near Earth Asteroids (NEAs- 0.983AU

Spatially localized structure-function relations in the elastic properties of sheared articular cartilage

NASA Astrophysics Data System (ADS)

Silverberg, Jesse; Bonassar, Lawrence; Cohen, Itai

2013-03-01

Contemporary developments in therapeutic tissue engineering have been enabled by basic research efforts in the field of biomechanics. Further integration of technology in medicine requires a deeper understanding of the mechanical properties of soft biological materials and the structural origins of their response under extreme stresses and strains. Drawing on the science generated by the ``Extreme Mechanics'' community, we present experimental results on the mechanical properties of articular cartilage, a hierarchically structured soft biomaterial found in the joints of mammalian long bones. Measurements of the spatially localized structure and mechanical properties will be compared with theoretical descriptions based on networks of deformed rods, poro-visco-elasticity, and standard continuum models. Discrepancies between experiment and theory will be highlighted, and suggestions for how models can be improved will be given.

Constitutive Modeling of Crosslinked Nanotube Materials

NASA Technical Reports Server (NTRS)

Odegard, G. M.; Frankland, S. J. V.; Herzog, M. N.; Gates, T. S.; Fay, C. C.

2004-01-01

A non-linear, continuum-based constitutive model is developed for carbon nanotube materials in which bundles of aligned carbon nanotubes have varying amounts of crosslinks between the nanotubes. The model accounts for the non-linear elastic constitutive behavior of the material in terms of strain, and is developed using a thermodynamic energy approach. The model is used to examine the effect of the crosslinking on the overall mechanical properties of variations of the crosslinked carbon nanotube material with varying degrees of crosslinking. It is shown that the presence of the crosslinks has significant effects on the mechanical properties of the carbon nanotube materials. An increase in the transverse shear properties is observed when the nanotubes are crosslinked. However, this increase is accompanied by a decrease in axial mechanical properties of the nanotube material upon crosslinking.

Antioxidant, antinociceptive and anti-inflammatory properties of the aqueous and ethanolic leaf extracts of Andrographis paniculata in some laboratory animals.

PubMed

Adedapo, Adeolu Alex; Adeoye, Bisi Olajumoke; Sofidiya, Margaret Oluwatoyin; Oyagbemi, Ademola Adetokunbo

2015-07-01

The study was designed to evaluate the anti-inflammatory, analgesic and antioxidant properties of Andrographis paniculata leaf extracts in laboratory animals. The dried and powdered leaves of the plant were subjected to phytochemical and proximate analyses. Its mineral content was also determined. Acute toxicity experiments were first performed to determine a safe dose level. The plant material was extracted using water and ethanol as solvents. These extracts were then used to test for the anti-inflammatory, analgesic and antioxidant properties of the plant. The anti-inflammatory tests included carrageenan-induced and histamine-induced paw oedema. The analgesic tests conducted were formalin paw lick test and acetic acid writhing test. The antioxidant activities of the extracts of A. paniculata were determined by 1,1-diphenyl-2-picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP), total polyphenol (TP) and 2,2'-azinobis-3-ethylbenzothiazoline-6-sulfonic acid (ABTS) using ascorbic acid as standard for both DPPH and FRAP, and gallic acid as a standard for both TP and ABTS. The acute toxicity experiment demonstrated that the plant is safe at high doses even at 1600 mg/kg. It was observed that the ethanolic extract of A. paniculata had higher antioxidant activity than the aqueous extract. The experiments using both extracts may suggest that the extracts of A. paniculata leaves possess anti-inflammatory, analgesic and antioxidant properties, although the ethanolic extract seemed to have higher biological properties than the aqueous extract. The results from this study may have justified the plant's folkloric use for medicinal purpose.

Development of a computational model for predicting solar wind flows past nonmagnetic terrestrial planets

NASA Technical Reports Server (NTRS)

Stahara, S. S.; Spreiter, J. R.

1983-01-01

A computational model for the determination of the detailed plasma and magnetic field properties of the global interaction of the solar wind with nonmagnetic terrestrial planetary obstacles is described. The theoretical method is based on an established single fluid, steady, dissipationless, magnetohydrodynamic continuum model, and is appropriate for the calculation of supersonic, super-Alfvenic solar wind flow past terrestrial ionospheres.

Rapid variation in the circumstellar 10 micron emission of Alpha Orionis

NASA Technical Reports Server (NTRS)

Bloemhof, E. E.; Danchi, W. C.; Townes, C. H.

1985-01-01

The spatial distribution of 10 micron continuum flux around the supergiant star Alpha Orionis was measured on two occasions separated by an interval of 1 yr. A significant change in the infrared radiation pattern on the subarcsecond scale was observed. This change cannot be explained plausibly by macroscopic motion but may be due to a change in the physical properties of the circumstellar dust.

Elastic properties of suspended black phosphorus nanosheets

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

Wang, Jia-Ying; Li, Yang; Zhen, Liang

2016-01-04

The mechanical properties of black phosphorus (BP) nanosheets suspended over circular holes were measured by an atomic force microscope nanoindentation method. The continuum mechanic model was introduced to calculate the elastic modulus and pretension of BP nanosheets with thicknesses ranging from 14.3 to 34 nm. Elastic modulus of BP nanosheets declines with thickness, and the maximum value is 276 ± 32.4 GPa. Besides, the effective strain of BP ranges from 8 to 17% with a breaking strength of 25 GPa. Our results show that BP nanosheets serve as a promising candidate for flexible electronic applications.

The 't Hooft vertex for staggered fermions and flavor-singlet mesons

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

Donald, Gordon C.; Davies, Christine T.H.; Follana, Eduardo

2011-01-01

We derive the ’t Hooft vertex for staggered fermions and examine its symmetries for nonzero lattice spacing. We also derive a set of structural properties for the eigenvectors of the staggered Dirac operator, which should emerge in the continuum limit, if staggered fermions yield four species. This property also is needed for flavor-taste-singlet correlators to behave correctly. We then test numerically whether the needed structure arises: it does. This structure and symmetry of (unrooted) staggered fermions also imply that Creutz’s (latest) objections to the rooted determinant are without foundation.

Nonlocal continuum-based modeling of mechanical characteristics of nanoscopic structures

NASA Astrophysics Data System (ADS)

Rafii-Tabar, Hashem; Ghavanloo, Esmaeal; Fazelzadeh, S. Ahmad

2016-06-01

Insight into the mechanical characteristics of nanoscopic structures is of fundamental interest and indeed poses a great challenge to the research communities around the world. These structures are ultra fine in size and consequently performing standard experiments to measure their various properties is an extremely difficult and expensive endeavor. Hence, to predict the mechanical characteristics of the nanoscopic structures, different theoretical models, numerical modeling techniques, and computer-based simulation methods have been developed. Among several proposed approaches, the nonlocal continuum-based modeling is of particular significance because the results obtained from this modeling for different nanoscopic structures are in very good agreement with the data obtained from both experimental and atomistic-based studies. A review of the essentials of this model together with its applications is presented here. Our paper is a self contained presentation of the nonlocal elasticity theory and contains the analysis of the recent works employing this model within the field of nanoscopic structures. In this review, the concepts from both the classical (local) and the nonlocal elasticity theories are presented and their applications to static and dynamic behavior of nanoscopic structures with various morphologies are discussed. We first introduce the various nanoscopic structures, both carbon-based and non carbon-based types, and then after a brief review of the definitions and concepts from classical elasticity theory, and the basic assumptions underlying size-dependent continuum theories, the mathematical details of the nonlocal elasticity theory are presented. A comprehensive discussion on the nonlocal version of the beam, the plate and the shell theories that are employed in modeling of the mechanical properties and behavior of nanoscopic structures is then provided. Next, an overview of the current literature discussing the application of the nonlocal models of nanoscopic carbon allotropes is presented. We then discuss the application of the models to the investigation of the properties of nanoscopic structures from different materials and with different types of morphologies. Furthermore, we also present recent developments in the application of the nonlocal models. Finally, conclusions and discussions regarding the potentiality of these models for future research are provided.

Visible and Near-Infrared Spectroscopy of Seyfert 1 and Narrow-Line Seyfert 1 Galaxies

NASA Astrophysics Data System (ADS)

Rodríguez-Ardila, Alberto; Pastoriza, Miriani G.; Donzelli, Carlos J.

2000-01-01

This paper studies the continuum and emission-line properties of a sample composed of 16 normal Seyfert 1 and seven narrow-line Seyfert 1 (NLS1) galaxies using optical and near-IR CCD spectroscopy. The continuum emission of the galaxies can be described in terms of a combination of stellar population, a nonstellar continuum of power-law form, and Fe II emission. A significative difference in the optical spectral index between NLS1's and normal Seyfert 1's is observed; the latter is steeper. Most NLS1's show Fe II/Hβ ratios larger than those observed in the other Seyfert 1's. In the IRAS band, both groups of galaxies have very similar properties. We have searched for the presence of optically thin gas in the broad-line region (BLR) of the galaxies by comparing the broad O I λ8446 and Hα emission-line profiles. Our analysis show that in the NLS1's, both profiles are similar in shape and width. This result contradicts the hypothesis of thin gas emission in the high-velocity part of the BLR to explain the ``narrowness'' of broad optical permitted lines in these objects. Evidence of narrow O I λ8446 emission is found in six galaxies of our sample, implying that this line is not restricted to a pure BLR phenomenon. In the narrow-line region, we find similar luminosities in the permitted and high-ionization lines of NLS1's and normal Seyfert 1's. However, low-ionization lines such as [O I] λ6300, [O II] λ3727, and [S II] λλ6717, 6731 are intrinsically less luminous in NLS1's. Physical properties derived from density- and temperature-sensitive line ratios suggest that the [O II] and [S II] emitting zones are overlapping in normal Seyfert 1's and separated in NLS1's. Based on observations made at CASLEO. Complejo Astronómico El Leoncito (CASLEO) is operated under agreement between the Consejo Nacional de Investigaciones Científicas y técnicas de la República Argentina and the National Universities of La Plata, Córdoba and San Juán.

Computer-assisted design and synthesis of molecularly imprinted polymers for selective extraction of acetazolamide from human plasma prior to its voltammetric determination.

PubMed

Khodadadian, Mehdi; Ahmadi, Farhad

2010-06-15

Molecularly imprinted polymers (MIPs) were computationally designed and synthesized for the selective extraction of a carbonic anhydrase inhibitor, i.e. acetazolamide (ACZ), from human plasma. Density functional theory (DFT) calculations were performed to study the intermolecular interactions in the pre-polymerization mixture and to find a suitable functional monomer in MIP preparation. The interaction energies were corrected for the basis set superposition error (BSSE) using the counterpoise (CP) correction. The polymerization solvent was simulated by means of polarizable continuum model (PCM). It was found that acrylamide (AAM) is the best candidate to prepare MIPs. To confirm the results of theoretical calculations, three MIPs were synthesized with different functional monomers and evaluated using Langmuir-Freundlich (LF) isotherm. The results indicated that the most homogeneous MIP with the highest number of binding sites is the MIP prepared by AAM. This polymer was then used as a selective adsorbent to develop a molecularly imprinted solid-phase extraction procedure followed by differential pulse voltammetry (MISPE-DPV) for clean-up and determination of ACZ in human plasma.

Medical education and cognitive continuum theory: an alternative perspective on medical problem solving and clinical reasoning.

PubMed

Custers, Eugène J F M

2013-08-01

Recently, human reasoning, problem solving, and decision making have been viewed as products of two separate systems: "System 1," the unconscious, intuitive, or nonanalytic system, and "System 2," the conscious, analytic, or reflective system. This view has penetrated the medical education literature, yet the idea of two independent dichotomous cognitive systems is not entirely without problems.This article outlines the difficulties of this "two-system view" and presents an alternative, developed by K.R. Hammond and colleagues, called cognitive continuum theory (CCT). CCT is featured by three key assumptions. First, human reasoning, problem solving, and decision making can be arranged on a cognitive continuum, with pure intuition at one end, pure analysis at the other, and a large middle ground called "quasirationality." Second, the nature and requirements of the cognitive task, as perceived by the person performing the task, determine to a large extent whether a task will be approached more intuitively or more analytically. Third, for optimal task performance, this approach needs to match the cognitive properties and requirements of the task. Finally, the author makes a case that CCT is better able than a two-system view to describe medical problem solving and clinical reasoning and that it provides clear clues for how to organize training in clinical reasoning.

Transition energies and polarizabilities of hydrogen like ions in plasma

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

Das, Madhusmita

2012-09-15

Effect of plasma screening on various properties like transition energy, polarizability (dipole and quadrupole), etc. of hydrogen like ions is studied. The bound and free state wave functions and transition matrix elements are obtained by numerically integrating the radial Schrodinger equation for appropriate plasma potential. We have used adaptive step size controlled Runge-Kutta method to perform the numerical integration. Debye-Huckel potential is used to investigate the variation in transition lines and polarizabilities (dipole and quadrupole) with increasing plasma screening. For a strongly coupled plasma, ion sphere potential is used to show the variation in excitation energy with decreasing ion spheremore » radius. It is observed that plasma screening sets in phenomena like continuum lowering and pressure ionization, which are unique to ions in plasma. Of particular interest is the blue (red) shift in transitions conserving (non-conserving) principal quantum number. The plasma environment also affects the dipole and quadrupole polarizability of ions in a significant manner. The bound state contribution to polarizabilities decreases with increase in plasma density whereas the continuum contribution is significantly enhanced. This is a result of variation in the behavior of bound and continuum state wave functions in the presence of plasma. We have compared the results with existing theoretical and experimental data wherever present.« less

Nonlocal continuum analysis of a nonlinear uniaxial elastic lattice system under non-uniform axial load

NASA Astrophysics Data System (ADS)

Hérisson, Benjamin; Challamel, Noël; Picandet, Vincent; Perrot, Arnaud

2016-09-01

The static behavior of the Fermi-Pasta-Ulam (FPU) axial chain under distributed loading is examined. The FPU system examined in the paper is a nonlinear elastic lattice with linear and quadratic spring interaction. A dimensionless parameter controls the possible loss of convexity of the associated quadratic and cubic energy. Exact analytical solutions based on Hurwitz zeta functions are developed in presence of linear static loading. It is shown that this nonlinear lattice possesses scale effects and possible localization properties in the absence of energy convexity. A continuous approach is then developed to capture the main phenomena observed regarding the discrete axial problem. The associated continuum is built from a continualization procedure that is mainly based on the asymptotic expansion of the difference operators involved in the lattice problem. This associated continuum is an enriched gradient-based or nonlocal axial medium. A Taylor-based and a rational differential method are both considered in the continualization procedures to approximate the FPU lattice response. The Padé approximant used in the continualization procedure fits the response of the discrete system efficiently, even in the vicinity of the limit load when the non-convex FPU energy is examined. It is concluded that the FPU lattice system behaves as a nonlocal axial system in dynamic but also static loading.

Selected physical and chemical properties of Feverfew (Tanacetum parthenium) extracts important for formulated product quality and performance.

PubMed

Jin, Ping; Madieh, Shadi; Augsburger, Larry L

2008-01-01

The objectives of this research are: (1) to assess selected formulation-relevant physical properties of several commercial Feverfew extracts, including flowability, hygroscopicity, compressibility and compactibility (2) to develop and validate a suitable extraction method and HPLC assay, and (3) to determine the parthenolide content of several commercial Feverfew extracts. Carr's index, minimum orifice diameter and particle-particle interaction were used to evaluate powder flowability. Hygroscopicity was evaluated by determining the equilibrium moisture content (EMC) after storage at various % relative humidities. Heckle analysis and compression pressure-radial tensile strength relationship were used to represent compression and compaction properties of feverfew extracts. An adapted analytical method was developed based on literature methods and then validated for the determination of parthenolide in feverfew. The commercial extracts tested exhibited poor to very poor flowability. The comparatively low mean yield pressure suggested that feverfew extracts deformed mainly plastically. Hygroscopicity and compactibility varied greatly with source. No commercial feverfew extracts tested contained the label claimed parthenolide. Even different batches from the same manufacturer showed significantly different parthenolide content. Therefore, extract manufactures should commit to proper quality control procedures that ensure accurate label claims, and supplement manufacturers should take into account possible differences in physico-chemical properties when using extracts from multiple suppliers.

A viscoplastic constitutive theory for metal matrix composites at high temperature

NASA Technical Reports Server (NTRS)

Robinson, David N.; Duffy, Stephen F.; Ellis, John R.

1988-01-01

A viscoplastic constitutive theory is presented for representing the high temperature deformation behavior of metal matrix composites. The point of view taken is a continuum one where the composite is considered a material in its own right, with its own properties that can be determined for the composite as a whole. It is assumed that a single preferential (fiber) direction is identifiable at each material point (continuum element) admitting the idealization of local transverse isotropy. A key ingredient is the specification of an experimental program for the complete determination of the material functions and parameters for characterizing a particular metal matrix composite. The parameters relating to the strength of anisotropy can be determined through tension/torsion tests on longitudinally and circumferentially reinforced thin walled tubes. Fundamental aspects of the theory are explored through a geometric interpretation of some basic features analogous to those of the classical theory of plasticity.

A viscoplastic constitutive theory for metal matrix composites at high temperature

NASA Technical Reports Server (NTRS)

Robinson, D. N.; Duffy, S. F.; Ellis, J. R.

1986-01-01

A viscoplastic constitutive theory is presented for representing the high-temperature deformation behavior of metal matrix composites. The point of view taken is a continuum one where the composite is considered a material in its own right, with its own properties that can be determined for the composite as a whole. It is assumed that a single preferential (fiber) direction is identifiable at each material point (continuum element) admitting the idealization of local transverse isotropy. A key ingredient in this work is the specification of an experimental program for the complete determination of the material functions and parameters for characterizing a particular metal matrix composite. The parameters relating to the strength of anisotropy can be determined through tension/torsion tests on longitudinally and circumferentially reinforced thin-walled tubes. Fundamental aspects of the theory are explored through a geometric interpretation of some basic features analogous to those of the classical theory of plasticity.

A viscoplastic constitutive theory for metal matrix composites at high temperature

NASA Technical Reports Server (NTRS)

Robinson, D. N.; Ellis, J. R.; Duffy, S. F.

1987-01-01

A viscoplastic theory is presented for representing the high-temperature deformation behavior of metal matrix composites. The point of view taken is a continuum one where the composite is considered a material in its own right, with its own properties that can be determined for the composite as a whole. It is presumed that a single preferential (fiber) direction is identifiable at each material point (continuum element) admitting the idealization of local transverse isotropy. A key ingredient in this work is the specification of an experimental program for the complete determination of the material functions and parameters for characterizing a particular metal matrix composite. The parameters relating to the strength of anisotropy can be determined through tension/torsion tests on longitudinally and circumferentially reinforced thin-walled tubes. Fundamental aspects of the theory are explored through a geometric interpretation of some basic features analogous to those of the classical theory of plasticity.

Calculation of surface potentials at the silica–water interface using molecular dynamics: Challenges and opportunities

NASA Astrophysics Data System (ADS)

Lowe, Benjamin M.; Skylaris, Chris-Kriton; Green, Nicolas G.; Shibuta, Yasushi; Sakata, Toshiya

2018-04-01

Continuum-based methods are important in calculating electrostatic properties of interfacial systems such as the electric field and surface potential but are incapable of providing sufficient insight into a range of fundamentally and technologically important phenomena which occur at atomistic length-scales. In this work a molecular dynamics methodology is presented for interfacial electric field and potential calculations. The silica–water interface was chosen as an example system, which is highly relevant for understanding the response of field-effect transistors sensors (FET sensors). Detailed validation work is presented, followed by the simulated surface charge/surface potential relationship. This showed good agreement with experiment at low surface charge density but at high surface charge density the results highlighted challenges presented by an atomistic definition of the surface potential. This methodology will be used to investigate the effect of surface morphology and biomolecule addition; both factors which are challenging using conventional continuum models.

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

NASA Astrophysics Data System (ADS)

Kirsch, L. E.; Bernstein, L. A.

2018-06-01

A new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the use of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.

Client Motivation for Therapy Scale: a measure of intrinsic motivation, extrinsic motivation, and amotivation for therapy.

PubMed

Pelletier, L G; Tuson, K M; Haddad, N K

1997-04-01

The purpose of this study was to examine the psychometric properties of a new measure of client motivation for therapy, the Client Motivation for Therapy Scale. This scale is designed to measure client's Intrinsic Motivation, four forms of regulation for Extrinsic Motivation (integrated, identified, introjected, and external regulation), and Amotivation for therapy. These subscales correspond to different forms of motivation identified by Deci and Ryan (1985) and fall along a self-determination continuum. An experimental version of the scale, along with related scales, was distributed to a total sample of 138 clients involved in therapy. The results supported the factor structure of the scale and revealed a satisfactory level of internal consistency. Correlations among the subscales revealed a simplex pattern that, in general, provides support for the self-determination continuum and the construct validity of the scale. Implications for research on client motivation for therapy are discussed.

VizieR Online Data Catalog: M33 SNR candidates properties (Lee+, 2014)

NASA Astrophysics Data System (ADS)

Lee, J. H.; Lee, M. G.

2017-04-01

We utilized the Hα and [S II] images in the LGGS to find new M33 remnants. The LGGS covered three 36' square fields of M33. We subtracted continuum sources from the narrowband images using R-band images. We smoothed the images with better seeing to match the point-spread function in the images with worse seeing, using the IRAF task psfmatch. We then scaled and subtracted the resulting continuum images from narrowband images. We selected M33 remnants considering three criteria: emission-line ratio ([S II]/Hα), the morphological structure, and the absence of blue stars inside the sources. Details are described in L14 (Lee et al. 2014ApJ...786..130L). We detected objects with [S II]/Hα>0.4 in emission-line ratio maps, and selected objects with round or shell structures in each narrowband image. As a result, we chose 435 sources. (2 data files).

A (12)CO J = 2-1 map of the disk of Centaurus A: Evidence for large scale heating in the dust lane

NASA Technical Reports Server (NTRS)

Wild, W.; Cameron, M.; Eckart, A.; Genzel, R.; Rothermel, H.; Rydbeck, G.; Wiklind, T.

1993-01-01

Centaurus A (NGC 5128) is a nearby (3 Mpc) elliptical galaxy with a prominent dust lane, extensive radio lobes, and a compact radio continuum source, suggestive of nuclear activity. As a consequence of its peculiar morphology, this merger candidate has been the subject of much attention, particularly at optical wavelengths. Unfortunately the high and patchy extinction in the disk, aggravated by the warped structure of the dust lane, has severely hindered investigations into the properties of the interstellar medium, particularly with regard to the extent of star formation. Here we present a map of the (12)CO J = 2-1 line throughout the dust lane which, when combined with a previously measured (12)CO J = 1-0 map and data on molecular absorption lines observed against the compact non-thermal continuum source, offers insight into the excitation conditions of the molecular gas.

Properties of R136a as derived from its optical light distribution

NASA Technical Reports Server (NTRS)

Chu, Y.-H.; Wolfire, M. G.; Cassinelli, J. P.

1984-01-01

Short exposure 4 m prime focus plates taken with interference filters centered on blue continuum 4765 A, He II 4686 line, red continuum 6485 A, and H-alpha line have been used to study the light distribution within R136a. R136a contains a bright component and several fainter components superposed on an extended background. The brightest component, unresolved under sub-arcsec seeing condition, contributes about 37 percent of the total light from a 3 in. diameter aperture. Combining the optical and UV information, it is found that this brightest component R136a1 may be a single star with a mass of approximately 750 solar masses with a brightness of six HD 93129A or 20 O3 V stars, or it could be a cluster of such stars. In either case, R136a1 supplies no more than one-half of the ionization of the 30 Doradus nebula.

Properties of R136a as derived from its optical light distribution

NASA Astrophysics Data System (ADS)

Chu, Y. H.; Cassinelli, J. P.; Wolfire, M. G.

1984-08-01

Short exposure 4 m prime focus plates taken with interference filters centered on blue continuum 4765 A, He II 4686 line, red continuum 6485 A, and H-alpha line have been used to study the light distribution within R136a. R136a contains a bright component and several fainter components superposed on an extended background. The brightest component, unresolved under sub-arcsec seeing condition, contributes about 37 percent of the total light from a 3 in. diameter aperture. Combining the optical and UV information, it is found that this brightest component R136a1 may be a single star with a mass of approximately 750 solar masses with a brightness of six HD 93129A or 20 O3 V stars, or it could be a cluster of such stars. In either case, R136a1 supplies no more than one-half of the ionization of the 30 Doradus nebula.

RETRACTED: Theoretical study of electronic properties and isotope effects in the UV absorption spectrum of disulfur

NASA Astrophysics Data System (ADS)

Sarka, Karolis; Danielache, Sebastian O.; Kondorskiy, Alexey; Nanbu, Shinkoh

2017-05-01

This article has been retracted: please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy) This article has been retracted at the request of the Authors because of a large amount of errors caused by incorrect interpretation of the potential energy curve boundaries by the data processing functions in their close-coupling algorithm, producing incorrect wavefunctions for the continuum region in the absorption spectrum. The spectrum calculated using the incorrect wavefunctions introduced periodic fluctuation in the absorption cross-section seen in the original article, which results in erroneous isotopic fractionation values. The updated spectra calculated after fixing the issues features a smooth continuum band, removing all false artifacts from isotopic effect analysis, producing significantly different results from the ones in this original article. The authors will submit the corrected data in a new article.

Effect of periodic fluctuation of soil particle rotation resistance on interface shear behaviour

NASA Astrophysics Data System (ADS)

Ebrahimian, Babak; Noorzad, Asadollah

2010-06-01

The interface behaviour between infinite extended narrow granular layer and bounding structure is numerically investigated using finite element method. The micro-polar (Cosserat) continuum approach within the framework of elasto-plasticity is employed to remove the numerical difficulties caused by strain-softening of materials in classical continuum mechanics. Mechanical properties of cohesionless granular soil are described with Lade's model enhanced with polar terms including Cosserat rotations, curvatures and couple stresses via mean grain diameter as the internal length. The main attention of paper is laid on the influence of spatial periodic fluctuation of rotation resistance of soil particles interlocked with the surface of bounding structure on evolution and location of shear band developed inside granular body. The finite element results demonstrate that the location and evolution of shear localization in granular body is strongly affected by prescribed non-uniform micro-polar kinematic boundary conditions along the interface.

Continuum mechanical model for cross-linked actin networks with contractile bundles

NASA Astrophysics Data System (ADS)

Ferreira, J. P. S.; Parente, M. P. L.; Natal Jorge, R. M.

2018-01-01

In the context of a mechanical approach to cell biology, there is a close relationship between cellular function and mechanical properties. In recent years, an increasing amount of attention has been given to the coupling between biochemical and mechanical signals by means of constitutive models. In particular, on the active contractility of the actin cytoskeleton. Given the importance of the actin contraction on the physiological functions, this study propose a constitutive model to describe how the filamentous network controls its mechanics actively. Embedded in a soft isotropic ground substance, the network behaves as a viscous mechanical continuum, comprised of isotropically distributed cross-linked actin filaments and actomyosin bundles. Trough virtual rheometry experiments, the present model relates the dynamics of the myosin motors with the network stiffness, which is to a large extent governed by the time-scale of the applied deformations/forces.

Resonances and bound states in the continuum on periodic arrays of slightly noncircular cylinders

NASA Astrophysics Data System (ADS)

Hu, Zhen; Lu, Ya Yan

2018-02-01

Optical bound states in the continuum (BICs), especially those on periodic structures, have interesting properties and potentially important applications. Existing theoretical and numerical studies for optical BICs are mostly for idealized structures with simple and perfect geometric features, such as circular holes, rectangular cylinders and spheres. Since small distortions are always present in actual fabricated structures, we perform a high accuracy numerical study for BICs and resonances on a simple periodic structure with small distortions, i.e., periodic arrays of slightly noncircular cylinders. Our numerical results confirm that symmetries are important not only for the so-called symmetry-protected BICs, but also for the majority of propagating BICs which do not have a symmetry mismatch with the outgoing radiation waves. Typically, the BICs continue to exist if the small distortions keep the relevant symmetries, and they become resonant modes with finite quality factors if the small distortions break a required symmetry.

Optical Variability of Two High-Luminosity Radio-Quiet Quasars, PDS 456 and PHL 1811

NASA Astrophysics Data System (ADS)

Gaskell, C. M.; Benker, A. J.; Campbell, J. S.; Crowley, K. A.; George, T. A.; Hedrick, C. H.; Hiller, M. E.; Klimek, E. S.; Leonard, J. P.; Peterson, B. W.; Sanders, K. M.

2003-12-01

PDS 456 and PHL 1811 are two of the highest luminosity low-redshift quasars. Both have optical luminosities comparable to 3C 273, but they have low radio luminosities. PDS 456 is a broad line object but PHL 1811 could be classified as a high-luminosity Narrow-Line Seyfert 1 (NLS1) object. We present the results of optical (V-band) continuum monitoring of PDS 456 and PHL 1811. We compare the variability properties of these two very different AGNs compared with the radio-loud AGN 3C 273, and we discuss the implications for the origin of the optical continuum variability in AGNs. This research has been supported in part by the Howard Hughes Foundation, Nebraska EPSCoR, the University of Nebraska Layman Fund, the University of Nebraska Undergraduate Creative Activities and Research Experiences, Pepsi-Cola, and the National Science Foundation through grant AST 03-07912.

A short review of relativistic iron lines from stellar-mass black holes

NASA Astrophysics Data System (ADS)

Miller, J. M.

2006-12-01

% In this contribution, I briefly review recent progress in detecting and measuring the properties of relativistic iron lines observed in stellar-mass black hole systems, and the aspects of these lines that are most relevant to studies of similar lines in Seyfert-1 AGN. In particular, the lines observed in stellar-mass black holes are not complicated by complex low-energy absorption or partial-covering of the central engine, and strong lines are largely independent of the model used to fit the underlying broad-band continuum flux. Indeed, relativistic iron lines are the most robust diagnostic of black hole spin that is presently available to observers, with specific advantages over the systematics-plagued disk continuum. If accretion onto stellar-mass black holes simply scales with mass, then the widespread nature of lines in stellar-mass black holes may indicate that lines should be common in Seyfert-1 AGN, though perhaps harder to detect.

Interventions to improve care coordination between primary healthcare and oncology care providers: a systematic review.

PubMed

Tomasone, Jennifer R; Brouwers, Melissa C; Vukmirovic, Marija; Grunfeld, Eva; O'Brien, Mary Ann; Urquhart, Robin; Walker, Melanie; Webster, Fiona; Fitch, Margaret

2016-01-01

Coordination of patient care between primary care and oncology care providers is vital to care quality and outcomes across the cancer continuum, yet it is known to be challenging. We conducted a systematic review to evaluate current or new models of care and/or interventions aimed at improving coordination between primary care and oncology care providers for patients with adult breast and/or colorectal cancer. MEDLINE, EMBASE, CINAHL, Cochrane Library Database of Systematic Reviews, and the Centre for Reviews and Dissemination were searched for existing English language studies published between January 2000 and 15 May 2015. Systematic reviews, meta-analyses, randomised controlled trials (RCTs) and non-randomised studies were included if they evaluated a specific model/intervention that was designed to improve care coordination between primary care and oncology care providers, for any stage of the cancer continuum, for patients with adult breast and/or colorectal cancer. Two reviewers extracted data and assessed risk of bias. Twenty-two studies (5 systematic reviews, 6 RCTs and 11 non-randomised studies) were included and varied with respect to the targeted phase of the cancer continuum, type of model or intervention tested, and outcome measures. The majority of studies showed no statistically significant changes in any patient, provider or system outcomes. Owing to conceptual and methodological limitations in this field, the review is unable to provide specific conclusions about the most effective or preferred model/intervention to improve care coordination. Imprecise results that lack generalisability and definitiveness provide limited evidence to base the development of future interventions and policies. CRD42015025006.

Passing waves from atomistic to continuum

NASA Astrophysics Data System (ADS)

Chen, Xiang; Diaz, Adrian; Xiong, Liming; McDowell, David L.; Chen, Youping

2018-02-01

Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly caused by the difference in material descriptions between the atomistic and continuum models, which results in a mismatch in phonon dispersion relations. In this work, we introduce a new method based on atomistic dynamics of lattice coupled with a concurrent atomistic-continuum method to enable a full phonon representation in the continuum description. This permits the passage of short-wavelength, high-frequency phonon waves from the atomistic to continuum regions. The benchmark examples presented in this work demonstrate that the new scheme enables the passage of all allowable phonons through the atomistic-continuum interface; it also preserves the wave coherency and energy conservation after phonons transport across multiple atomistic-continuum interfaces. This work is the first step towards developing a concurrent atomistic-continuum simulation tool for non-equilibrium phonon-mediated thermal transport in materials with microstructural complexity.

A nonlinear generalized continuum approach for electro-elasticity including scale effects

NASA Astrophysics Data System (ADS)

Skatulla, S.; Arockiarajan, A.; Sansour, C.

2009-01-01

Materials characterized by an electro-mechanically coupled behaviour fall into the category of so-called smart materials. In particular, electro-active polymers (EAP) recently attracted much interest, because, upon electrical loading, EAP exhibit a large amount of deformation while sustaining large forces. This property can be utilized for actuators in electro-mechanical systems, artificial muscles and so forth. When it comes to smaller structures, it is a well-known fact that the mechanical response deviates from the prediction of classical mechanics theory. These scale effects are due to the fact that the size of the microscopic material constituents of such structures cannot be considered to be negligible small anymore compared to the structure's overall dimensions. In this context so-called generalized continuum formulations have been proven to account for the micro-structural influence to the macroscopic material response. Here, we want to adopt a strain gradient approach based on a generalized continuum framework [Sansour, C., 1998. A unified concept of elastic-viscoplastic Cosserat and micromorphic continua. J. Phys. IV Proc. 8, 341-348; Sansour, C., Skatulla, S., 2007. A higher gradient formulation and meshfree-based computation for elastic rock. Geomech. Geoeng. 2, 3-15] and extend it to also encompass the electro-mechanically coupled behaviour of EAP. The approach introduces new strain and stress measures which lead to the formulation of a corresponding generalized variational principle. The theory is completed by Dirichlet boundary conditions for the displacement field and its derivatives normal to the boundary as well as the electric potential. The basic idea behind this generalized continuum theory is the consideration of a micro- and a macro-space which together span the generalized space. As all quantities are defined in this generalized space, also the constitutive law, which is in this work conventional electro-mechanically coupled nonlinear hyperelasticity, is embedded in the generalized continuum. In this way material information of the micro-space, which are here only the geometrical specifications of the micro-continuum, can naturally enter the constitutive law. Several applications with moving least square-based approximations (MLS) demonstrate the potential of the proposed method. This particular meshfree method is chosen, as it has been proven to be highly flexible with regard to continuity and consistency required by this generalized approach.

77 FR 33229 - Notice of Proposed Information Collection for Public Comment; Continuum of Care Homeless...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-05

... Information Collection for Public Comment; Continuum of Care Homeless Assistance Grant Application--Continuum of Care Application AGENCY: Office of Assistant Secretary for Community Planning and Development... collection for public comment entitled Continuum of Care of Homeless Assistance Grant Application- Continuum...

MaMiCo: Transient multi-instance molecular-continuum flow simulation on supercomputers

NASA Astrophysics Data System (ADS)

Neumann, Philipp; Bian, Xin

2017-11-01

We present extensions of the macro-micro-coupling tool MaMiCo, which was designed to couple continuum fluid dynamics solvers with discrete particle dynamics. To enable local extraction of smooth flow field quantities especially on rather short time scales, sampling over an ensemble of molecular dynamics simulations is introduced. We provide details on these extensions including the transient coupling algorithm, open boundary forcing, and multi-instance sampling. Furthermore, we validate the coupling in Couette flow using different particle simulation software packages and particle models, i.e. molecular dynamics and dissipative particle dynamics. Finally, we demonstrate the parallel scalability of the molecular-continuum simulations by using up to 65 536 compute cores of the supercomputer Shaheen II located at KAUST. Program Files doi:http://dx.doi.org/10.17632/w7rgdrhb85.1 Licensing provisions: BSD 3-clause Programming language: C, C++ External routines/libraries: For compiling: SCons, MPI (optional) Subprograms used: ESPResSo, LAMMPS, ls1 mardyn, waLBerla For installation procedures of the MaMiCo interfaces, see the README files in the respective code directories located in coupling/interface/impl. Journal reference of previous version: P. Neumann, H. Flohr, R. Arora, P. Jarmatz, N. Tchipev, H.-J. Bungartz. MaMiCo: Software design for parallel molecular-continuum flow simulations, Computer Physics Communications 200: 324-335, 2016 Does the new version supersede the previous version?: Yes. The functionality of the previous version is completely retained in the new version. Nature of problem: Coupled molecular-continuum simulation for multi-resolution fluid dynamics: parts of the domain are resolved by molecular dynamics or another particle-based solver whereas large parts are covered by a mesh-based CFD solver, e.g. a lattice Boltzmann automaton. Solution method: We couple existing MD and CFD solvers via MaMiCo (macro-micro coupling tool). Data exchange and coupling algorithmics are abstracted and incorporated in MaMiCo. Once an algorithm is set up in MaMiCo, it can be used and extended, even if other solvers are used (as soon as the respective interfaces are implemented/available). Reasons for the new version: We have incorporated a new algorithm to simulate transient molecular-continuum systems and to automatically sample data over multiple MD runs that can be executed simultaneously (on, e.g., a compute cluster). MaMiCo has further been extended by an interface to incorporate boundary forcing to account for open molecular dynamics boundaries. Besides support for coupling with various MD and CFD frameworks, the new version contains a test case that allows to run molecular-continuum Couette flow simulations out-of-the-box. No external tools or simulation codes are required anymore. However, the user is free to switch from the included MD simulation package to LAMMPS. For details on how to run the transient Couette problem, see the file README in the folder coupling/tests, Remark on MaMiCo V1.1. Summary of revisions: Open boundary forcing; Multi-instance MD sampling; support for transient molecular-continuum systems Restrictions: Currently, only single-centered systems are supported. For access to the LAMMPS-based implementation of DPD boundary forcing, please contact Xin Bian, xin.bian@tum.de. Additional comments: Please see file license_mamico.txt for further details regarding distribution and advertising of this software.

Evaluating the influence of plant-specific physiological parameterizations on the partitioning of land surface energy fluxes

NASA Astrophysics Data System (ADS)

Sulis, Mauro; Langensiepen, Matthias; Shrestha, Prabhakar; Schickling, Anke; Simmer, Clemens; Kollet, Stefan

2015-04-01

Vegetation has a significant influence on the partitioning of radiative forcing, the spatial and temporal variability of soil water and soil temperature. Therefore plant physiological properties play a key role in mediating and amplifying interactions and feedback mechanisms in the soil-vegetation-atmosphere continuum. Because of the direct impact on latent heat fluxes, these properties may also influence weather generating processes, such as the evolution of the atmospheric boundary layer (ABL). In land surface models, plant physiological properties are usually obtained from literature synthesis by unifying several plant/crop species in predefined vegetation classes. In this work, crop-specific physiological characteristics, retrieved from detailed field measurements, are included in the bio-physical parameterization of the Community Land Model (CLM), which is a component of the Terrestrial Systems Modeling Platform (TerrSysMP). The measured set of parameters for two typical European mid-latitudinal crops (sugar beet and winter wheat) is validated using eddy covariance measurements (sensible heat and latent heat) over multiple years from three measurement sites located in the North Rhine-Westphalia region, Germany. We found clear improvements of CLM simulations, when using the crop-specific physiological characteristics of the plants instead of the generic crop type when compared to the measurements. In particular, the increase of latent heat fluxes in conjunction with decreased sensible heat fluxes as simulated by the two new crop-specific parameter sets leads to an improved quantification of the diurnal energy partitioning. These findings are cross-validated using estimates of gross primary production extracted from net ecosystem exchange measurements. This independent analysis reveals that the better agreement between observed and simulated latent heat using the plant-specific physiological properties largely stems from an improved simulation of the photosynthesis process owing to a better estimation of the Rubisco enzyme kinematics. Finally, to evaluate the effects of the crop-specific parameterizations on the ABL dynamics, we perform a series of semi-idealized land-atmosphere coupled simulations by hypothesizing three cropland configurations. These numerical experiments reveal different heat and moisture budgets of the ABL that clearly impact the evolution of the boundary layer when using the crop-specific physiological properties.

A fast multipole method combined with a reaction field for long-range electrostatics in molecular dynamics simulations: The effects of truncation on the properties of water

NASA Astrophysics Data System (ADS)

Mathias, Gerald; Egwolf, Bernhard; Nonella, Marco; Tavan, Paul

2003-06-01

We present a combination of the structure adapted multipole method with a reaction field (RF) correction for the efficient evaluation of electrostatic interactions in molecular dynamics simulations under periodic boundary conditions. The algorithm switches from an explicit electrostatics evaluation to a continuum description at the maximal distance that is consistent with the minimum image convention, and, thus, avoids the use of a periodic electrostatic potential. A physically motivated switching function enables charge clusters interacting with a given charge to smoothly move into the solvent continuum by passing through the spherical dielectric boundary surrounding this charge. This transition is complete as soon as the cluster has reached the so-called truncation radius Rc. The algorithm is used to examine the dependence of thermodynamic properties and correlation functions on Rc in the three point transferable intermolecular potential water model. Our test simulations on pure liquid water used either the RF correction or a straight cutoff and values of Rc ranging from 14 Å to 40 Å. In the RF setting, the thermodynamic properties and the correlation functions show convergence for Rc increasing towards 40 Å. In the straight cutoff case no such convergence is found. Here, in particular, the dipole-dipole correlation functions become completely artificial. The RF description of the long-range electrostatics is verified by comparison with the results of a particle-mesh Ewald simulation at identical conditions.

Increasing meaning in measurement: a Rasch analysis of the Child-Adolescent Teasing Scale.

PubMed

Vessey, Judith A; DiFazio, Rachel L; Strout, Tania D

2012-01-01

In today's increasingly violent society, many childhood incidents that begin as simple teasing deteriorate into persistent bullying. The Child-Adolescent Teasing Scale (CATS) was developed to measure self-perceived teasing in youths aged 11-15 years. It was validated initially using the principles of classical test theory and deemed to be a reliable and valid measure of teasing; it has been responsive to change in intervention studies. The aim of this study was to evaluate further the psychometric properties of the CATS by evaluating the degree to which the CATS items are congruent with the primary assumptions of the Rasch measurement model. A methodological study design using a Rasch Rating Scale Model was utilized to examine the psychometric properties of the 32-item CATS. The sample of the CATS consisted of 666 youths aged 11-15 years from diverse racial and socioeconomic backgrounds and geographic regions. Unidimensionality, hierarchical ordering, and stretching of the variable's responses along a continuum were examined. The current CATS subscales do not fit the criteria for the Rasch model. The subscales are not unidimensional or hierarchical and do not exist on upon a continuum upon which items can be ordered and children can be placed. The divergent results between the classical test theory and Rasch analyses, although not completely surprising, underscore the need for continued refinement of an instrument's psychometric properties to ensure it is measuring the concept of interest in the way it was intended.

PACCE: Perl Algorithm to Compute Continuum and Equivalent Widths

NASA Astrophysics Data System (ADS)

Riffel, Rogério; Borges Vale, Tibério

2011-05-01

PACCE (Perl Algorithm to Compute continuum and Equivalent Widths) computes continuum and equivalent widths. PACCE is able to determine mean continuum and continuum at line center values, which are helpful in stellar population studies, and is also able to compute the uncertainties in the equivalent widths using photon statistics.

Performances of different protocols for exocellular polysaccharides extraction from milk acid gels: Application to yogurt.

PubMed

Nguyen, An Thi-Binh; Nigen, Michaël; Jimenez, Luciana; Ait-Abderrahim, Hassina; Marchesseau, Sylvie; Picart-Palmade, Laetitia

2018-01-15

Dextran or xanthan were used as model exocellular polysaccharides (EPS) to compare the extraction efficiency of EPS from skim milk acid gels using three different protocols. Extraction yields, residual protein concentrations and the macromolecular properties of extracted EPS were determined. For both model EPS, the highest extraction yield (∼80%) was obtained when samples were heated in acidic conditions at the first step of extraction (Protocol 1). Protocols that contained steps of acid/ethanol precipitation without heating (Protocols 2 and 3) show lower extraction yields (∼55%) but allow a better preservation of the EPS macromolecular properties. Changing the pH of acid gels up to 7 before extraction (Protocol 3) improved the extraction yield of anionic EPS without effect on the macromolecular properties of EPS. Protocol 1 was then applied for the quantification of EPS produced during the yogurt fermentation, while Protocol 3 was dedicated to their macromolecular characterization. Copyright © 2017 Elsevier Ltd. All rights reserved.

Comparative study of antioxidant properties and total phenolic content of 30 plant extracts of industrial interest using DPPH, ABTS, FRAP, SOD, and ORAC assays.

PubMed

Dudonné, Stéphanie; Vitrac, Xavier; Coutière, Philippe; Woillez, Marion; Mérillon, Jean-Michel

2009-03-11

Aqueous extracts of 30 plants were investigated for their antioxidant properties using DPPH and ABTS radical scavenging capacity assay, oxygen radical absorbance capacity (ORAC) assay, superoxide dismutase (SOD) assay, and ferric reducing antioxidant potential (FRAP) assay. Total phenolic content was also determined by the Folin-Ciocalteu method. Antioxidant properties and total phenolic content differed significantly among selected plants. It was found that oak (Quercus robur), pine (Pinus maritima), and cinnamon (Cinnamomum zeylanicum) aqueous extracts possessed the highest antioxidant capacities in most of the methods used, and thus could be potential rich sources of natural antioxidants. These extracts presented the highest phenolic content (300-400 mg GAE/g). Mate (Ilex paraguariensis) and clove (Eugenia caryophyllus clovis) aqueous extracts also showed strong antioxidant properties and a high phenolic content (about 200 mg GAE/g). A significant relationship between antioxidant capacity and total phenolic content was found, indicating that phenolic compounds are the major contributors to the antioxidant properties of these plants.

Physicochemical and Antioxidant Properties of Rice Bran Oils Produced from Colored Rice Using Different Extraction Methods.

PubMed

Mingyai, Sukanya; Kettawan, Aikkarach; Srikaeo, Khongsak; Singanusong, Riantong

2017-06-01

This study investigated the physicochemical and antioxidant properties of rice bran oil (RBO) produced from the bran of three rice varities; Khao Dawk Mali 105 (white rice), Red Jasmine rice (red rice) and Hom-nin rice (black rice) using three extraction methods including cold-press extraction (CPE), solvent extraction (SE) and supercritical CO 2 extraction (SC-CO 2 ). Yields, color, acid value (AV), free fatty acid (FFA), peroxide value (PV), iodine value (IV), total phenolic compound (TPC), γ-oryzanol, α-tocopherol and fatty acid profile were analyzed. It was found that the yields obtained from SE, SC-CO 2 and CPE extractions were 17.35-20.19%, 14.76-18.16% and 3.22-6.22%, respectively. The RBO from the bran of red and black rice samples exhibited high antioxidant activities. They also contained higher amount of γ-oryzanol and α-tocopherol than those of white rice sample. In terms of extraction methods, SC-CO 2 provided better qualities of RBO as evidenced by their physicochemical and antioxidant properties. This study found that RBO produced from the bran of black rice samples using SC-CO 2 extraction method showed the best physicochemical and antioxidant properties.

Emergent space-time via a geometric renormalization method

NASA Astrophysics Data System (ADS)

Rastgoo, Saeed; Requardt, Manfred

2016-12-01

We present a purely geometric renormalization scheme for metric spaces (including uncolored graphs), which consists of a coarse graining and a rescaling operation on such spaces. The coarse graining is based on the concept of quasi-isometry, which yields a sequence of discrete coarse grained spaces each having a continuum limit under the rescaling operation. We provide criteria under which such sequences do converge within a superspace of metric spaces, or may constitute the basin of attraction of a common continuum limit, which hopefully may represent our space-time continuum. We discuss some of the properties of these coarse grained spaces as well as their continuum limits, such as scale invariance and metric similarity, and show that different layers of space-time can carry different distance functions while being homeomorphic. Important tools in this analysis are the Gromov-Hausdorff distance functional for general metric spaces and the growth degree of graphs or networks. The whole construction is in the spirit of the Wilsonian renormalization group (RG). Furthermore, we introduce a physically relevant notion of dimension on the spaces of interest in our analysis, which, e.g., for regular lattices reduces to the ordinary lattice dimension. We show that this dimension is stable under the proposed coarse graining procedure as long as the latter is sufficiently local, i.e., quasi-isometric, and discuss the conditions under which this dimension is an integer. We comment on the possibility that the limit space may turn out to be fractal in case the dimension is noninteger. At the end of the paper we briefly mention the possibility that our network carries a translocal far order that leads to the concept of wormhole spaces and a scale dependent dimension if the coarse graining procedure is no longer local.

Multiscale modeling of lithium ion batteries: thermal aspects

PubMed Central

Zausch, Jochen

2015-01-01

Summary The thermal behavior of lithium ion batteries has a huge impact on their lifetime and the initiation of degradation processes. The development of hot spots or large local overpotentials leading, e.g., to lithium metal deposition depends on material properties as well as on the nano- und microstructure of the electrodes. In recent years a theoretical structure emerges, which opens the possibility to establish a systematic modeling strategy from atomistic to continuum scale to capture and couple the relevant phenomena on each scale. We outline the building blocks for such a systematic approach and discuss in detail a rigorous approach for the continuum scale based on rational thermodynamics and homogenization theories. Our focus is on the development of a systematic thermodynamically consistent theory for thermal phenomena in batteries at the microstructure scale and at the cell scale. We discuss the importance of carefully defining the continuum fields for being able to compare seemingly different phenomenological theories and for obtaining rules to determine unknown parameters of the theory by experiments or lower-scale theories. The resulting continuum models for the microscopic and the cell scale are numerically solved in full 3D resolution. The complex very localized distributions of heat sources in a microstructure of a battery and the problems of mapping these localized sources on an averaged porous electrode model are discussed by comparing the detailed 3D microstructure-resolved simulations of the heat distribution with the result of the upscaled porous electrode model. It is shown, that not all heat sources that exist on the microstructure scale are represented in the averaged theory due to subtle cancellation effects of interface and bulk heat sources. Nevertheless, we find that in special cases the averaged thermal behavior can be captured very well by porous electrode theory. PMID:25977870

SMA Continuum Survey of Circumstellar Disks in Serpens

NASA Astrophysics Data System (ADS)

Law, Charles; Ricci, Luca; Andrews, Sean M.; Wilner, David J.; Qi, Chunhua

2017-06-01

The lifetime of disks surrounding pre-main-sequence stars is closely linked to planet formation and provides information on disk dispersal mechanisms and dissipation timescales. The potential for these optically thick, gas-rich disks to form planets is critically dependent on how much dust is available to be converted into terrestrial planets and rocky cores of giant planets. For this reason, an understanding of how dust mass varies with key properties such as stellar mass, age, and environment is critical for understanding planet formation. Millimeter wavelength observations, in which the dust emission is optically thin, are required to study the colder dust residing in the disk’s outer regions and to measure disk dust masses. Hence, we have obtained SMA 1.3 mm continuum observations of 62 Class II sources with suspected circumstellar disks in the Serpens star-forming region (SFR). Relative to the well-studied Taurus SFR, Serpens allows us to probe the distribution of dust masses for disks in a much denser and more clustered environment. Only 13 disks were detected in the continuum with the SMA. We calculate the total dust masses of these disks and compare their masses to those of disks in Taurus, Lupus, and Upper Scorpius. We do not find evidence of diminished dust masses in Serpens disks relative to those in Taurus despite the fact that disks in denser clusters may be expected to contain less dust mass due to stronger and more frequent tidal interactions that can disrupt the outer regions of disks. However, considering the low detection fraction, we likely detected only bright continuum sources and a more sensitive survey of Serpens would help clarify these results.

Radio continuum observations of local star-forming galaxies using the Caltech Continuum Backend on the green bank telescope

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

Rabidoux, Katie; Pisano, D. J.; Kepley, Amanda A.

2014-01-01

We observed radio continuum emission in 27 local (D < 70 Mpc) star-forming galaxies with the Robert C. Byrd Green Bank Telescope between 26 GHz and 40 GHz using the Caltech Continuum Backend. We obtained detections for 22 of these galaxies at all four sub-bands and four more marginal detections by taking the average flux across the entire bandwidth. This is the first detection (full or marginal) at these frequencies for 22 of these galaxies. We fit spectral energy distributions (SEDs) for all of the four sub-band detections. For 14 of the galaxies, SEDs were best fit by a combinationmore » of thermal free-free and nonthermal synchrotron components. Eight galaxies with four sub-band detections had steep spectra that were only fit by a single nonthermal component. Using these fits, we calculated supernova rates, total number of equivalent O stars, and star formation rates within each ∼23'' beam. For unresolved galaxies, these physical properties characterize the galaxies' recent star formation on a global scale. We confirm that the radio-far-infrared correlation holds for the unresolved galaxies' total 33 GHz flux regardless of their thermal fractions, though the scatter on this correlation is larger than that at 1.4 GHz. In addition, we found that for the unresolved galaxies, there is an inverse relationship between the ratio of 33 GHz flux to total far-infrared flux and the steepness of the galaxy's spectral index between 1.4 GHz and 33 GHz. This relationship could be an indicator of the timescale of the observed episode of star formation.« less

Investigating the Near-Infrared Properties of Planetary Nebulae II. Medium Resolution Spectra. 2; Medium Resolution Spectra

NASA Technical Reports Server (NTRS)

Hora, Joseph L.; Latter, William B.; Deutsch, Lynne K.

1998-01-01

We present medium-resolution (R approximately 700) near-infrared (lambda = 1 - 2.5 micrometers) spectra of a sample of planetary nebulae (PNe). A narrow slit was used which sampled discrete locations within the nebulae; observations were obtained at one or more positions in the 41 objects included in the survey. The PN spectra fall into one of four general categories: H1 emission line-dominated PNe, H1 and H2 emission line PNe, H2 emission line-dominated PNe, and continuum-dominated PNe. These categories correlate with morphological type, with the elliptical PNe falling into the first group, and the bipolar PNe primarily in the H2 and continuum emission groups. The categories also correlate with C/O ratio, with the O-rich objects falling into the first group and the C-rich objects in the groups. Other spectral features were observed in all catagories, such as continuum emission from the central star, and warm dust continuum emission towards the long wavelength end of the spectra. H2 was detected in four PNe in this survey for the first time. An analysis was performed using the H2 line ratios in all of the PN spectra in the survey where a sufficient number of lines were observed to determine the ortho-to-para ratio and the rotational and vibrational excitation temperatures of the H-2 in those objects. One unexpected result from this analysis is that the H-2 is excited by absorption of ultraviolet photons in most of the PNe, although there are several PNe in which collisional excitation plays an important role. The correlation between bipolar morphology and H2 emission has been strengthened with the new detections of H2 in this survey.

Measuring diffuse interstellar bands with cool stars. Improved line lists to model background stellar spectra

NASA Astrophysics Data System (ADS)

Monreal-Ibero, A.; Lallement, R.

2017-03-01

Context. Diffuse stellar bands (DIBs) are ubiquitous in stellar spectra. Traditionally, they have been studied through their extraction from hot (early-type) stars because of their smooth continuum. In an era in which there are several ongoing or planned massive Galactic surveys using multi-object spectrographs, cool (late-type) stars constitute an appealing set of targets. However, from the technical point of view, the extraction of DIBs in their spectra is more challenging because of the complexity of the continuum. Aims: In this contribution we provide the community with an improved set of stellar lines in the spectral regions associated with the strong DIBs at λ6196.0, λ6269.8, λ6283.8, and λ6379.3. These lines allow for the creation of better stellar synthetic spectra, reproducing the background emission and a more accurate extraction of the magnitudes associated with a given DIB (e.g., equivalent width, radial velocity). Methods: The Sun and Arcturus were used as representative examples of dwarf and giant stars, respectively. A high quality spectrum for each of them was modeled using TURBOSPECTRUM and the Vienna Atomic Line Database (VALD) stellar line list. The oscillator strength log (gf) and wavelength of specific lines were modified to create synthetic spectra in which the residuals in both the Sun and Arcturus were minimized. Results: The TURBOSPECTRUM synthetic spectra, based on improved line lists, reproduce the observed spectra for the Sun and Arcturus in the mentioned spectral ranges with greater accuracy. Residuals between the synthetic and observed spectra are always ≲10%, which is much better than residuals with previously existing options. We tested the new line lists with some characteristic spectra from a variety of stars, including both giant and dwarf stars, and under different degrees of extinction. As occurred with the Sun and Arcturus, residuals in the fits used to extract the DIB information are smaller when using synthetic spectra made with the updated line lists. Tables with the updated parameters are provided to the community. Based on data products from observations made with ESO Telescopes at the La Silla Paranal Observatory under programme IDs 66.D-0457(A), 079.C-0131(A), and 383.C-0170(A).

Computational studies of physical properties of Nb-Si based alloys

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

Ouyang, Lizhi

2015-04-16

The overall goal is to provide physical properties data supplementing experiments for thermodynamic modeling and other simulations such as phase filed simulation for microstructure and continuum simulations for mechanical properties. These predictive computational modeling and simulations may yield insights that can be used to guide materials design, processing, and manufacture. Ultimately, they may lead to usable Nb-Si based alloy which could play an important role in current plight towards greener energy. The main objectives of the proposed projects are: (1) developing a first principles method based supercell approach for calculating thermodynamic and mechanic properties of ordered crystals and disordered latticesmore » including solid solution; (2) application of the supercell approach to Nb-Si base alloy to compute physical properties data that can be used for thermodynamic modeling and other simulations to guide the optimal design of Nb-Si based alloy.« less

Is Seismically Determined Q an Intrinsic Material Property?

NASA Astrophysics Data System (ADS)

Langston, C. A.

2003-12-01

The seismic quality factor, Q, has a well-defined physical meaning as an intrinsic material property associated with a visco-elastic or a non-linear stress-strain constitutive relation for a material. Measurement of Q from seismic waves, however, involves interpreting seismic wave amplitude and phase as deviations from some ideal elastic wave propagation model. Thus, assumptions in the elastic wave propagation model become the basis for attributing anelastic properties to the earth continuum. Scientifically, the resulting Q model derived from seismic data is no more than a hypothesis that needs to be verified by other independent experiments concerning the continuum constitutive law and through careful examination of the truth of the assumptions in the wave propagation model. A case in point concerns the anelasticity of Mississippi embayment sediments in the central U.S. that has important implications for evaluation of earthquake strong ground motions. Previous body wave analyses using converted Sp phases have suggested that Qs is ~30 in the sediments based on simple ray theory assumptions. However, detailed modeling of 1D heterogeneity in the sediments shows that Qs cannot be resolved by the Sp data. An independent experiment concerning the amplitude decay of surface waves propagating in the sediments shows that Qs must be generally greater than 80 but is also subject to scattering attenuation. Apparent Q effects seen in direct P and S waves can also be produced by wave tunneling mechanisms in relatively simple 1D heterogeneity. Heterogeneity is a general geophysical attribute of the earth as shown by many high-resolution data sets and should be used as the first litmus test on assumptions made in seismic Q studies before a Q model can be interpreted as an intrinsic material property.

Are extracted materials truly representative of original samples? Impact of C18 extraction on CDOM optical and chemical properties

NASA Astrophysics Data System (ADS)

Andrew, Andrea; Del Vecchio, Rossana; Zhang, Yi; Subramaniam, Ajit; Blough, Neil

2016-02-01

Some properties of dissolved organic matter (DOM) and chromophoric dissolved organic matter (CDOM) can be easily measured directly on whole waters, while others require sample concentration and removal of natural salts. To increase CDOM content and eliminate salts, solid phase extraction is often employed. Biases following extraction and elution are inevitable, thus raising the question of how truly representative the extracted material is of the original. In this context, we investigated the wavelength dependence of extraction efficiency for C18 cartridges with respect to CDOM optical properties using samples obtained from the Middle Atlantic Bight (MAB) and the Equatorial Atlantic Ocean (EAO). Further, we compared the optical changes of C18 extracts and the corresponding whole water following chemical reduction with sodium borohydride (NaBH4). C18 cartridges preferentially extracted long-wavelength absorbing/emitting material for samples impacted by riverine input. Extraction efficiency overall decreased with offshore distance away from riverine input. Spectral slopes of C18-OM samples were also almost always lower than those of their corresponding CDOM samples supporting the preferential extraction of higher molecular weight absorbing material. The wavelength dependence of the optical properties (absorption, fluorescence emission and quantum yield) of the original water samples and their corresponding extracted material were very similar. C18 extracts and corresponding water samples further exhibited comparable optical changes following NaBH4 reduction, thus suggesting a similarity in nature (structure) of the optically active extracted material, independent of geographical locale. Altogether, these data suggested a strong similarity between C18 extracts and corresponding whole waters, thus indicating that extracts are representative of the CDOM content of original waters.

Are Extracted Materials Truly Representative of Original Samples? Impact of C18 Extraction on CDOM Optical and Chemical Properties

PubMed Central

Andrew, Andrea A.; Del Vecchio, Rossana; Zhang, Yi; Subramaniam, Ajit; Blough, Neil V.

2016-01-01

Some properties of dissolved organic matter (DOM) and chromophoric dissolved organic matter (CDOM) can be easily measured directly on whole waters, while others require sample concentration and removal of natural salts. To increase CDOM content and eliminate salts, solid phase extraction (SPE) is often employed. Biases following extraction and elution are inevitable, thus raising the question of how truly representative the extracted material is of the original. In this context, we investigated the wavelength dependence of extraction efficiency for C18 cartridges with respect to CDOM optical properties using samples obtained from the Middle Atlantic Bight (MAB) and the Equatorial Atlantic Ocean (EAO). Further, we compared the optical changes of C18 extracts and the corresponding whole water following chemical reduction with sodium borohydride (NaBH4). C18 cartridges preferentially extracted long-wavelength absorbing/emitting material for samples impacted by riverine input. Extraction efficiency overall decreased with offshore distance away from riverine input. Spectral slopes of C18-OM samples were also almost always lower than those of their corresponding CDOM samples supporting the preferential extraction of higher molecular weight absorbing material. The wavelength dependence of the optical properties (absorption, fluorescence emission, and quantum yield) of the original water samples and their corresponding extracted material were very similar. C18 extracts and corresponding water samples further exhibited comparable optical changes following NaBH4 reduction, thus suggesting a similarity in nature (structure) of the optically active extracted material, independent of geographical locale. Altogether, these data suggested a strong similarity between C18 extracts and corresponding whole waters, thus indicating that extracts are representative of the CDOM content of original waters. PMID:26904536

Are Extracted Materials Truly Representative of Original Samples? Impact of C18 Extraction on CDOM Optical and Chemical Properties.

PubMed

Andrew, Andrea A; Del Vecchio, Rossana; Zhang, Yi; Subramaniam, Ajit; Blough, Neil V

2016-01-01

Some properties of dissolved organic matter (DOM) and chromophoric dissolved organic matter (CDOM) can be easily measured directly on whole waters, while others require sample concentration and removal of natural salts. To increase CDOM content and eliminate salts, solid phase extraction (SPE) is often employed. Biases following extraction and elution are inevitable, thus raising the question of how truly representative the extracted material is of the original. In this context, we investigated the wavelength dependence of extraction efficiency for C18 cartridges with respect to CDOM optical properties using samples obtained from the Middle Atlantic Bight (MAB) and the Equatorial Atlantic Ocean (EAO). Further, we compared the optical changes of C18 extracts and the corresponding whole water following chemical reduction with sodium borohydride (NaBH4). C18 cartridges preferentially extracted long-wavelength absorbing/emitting material for samples impacted by riverine input. Extraction efficiency overall decreased with offshore distance away from riverine input. Spectral slopes of C18-OM samples were also almost always lower than those of their corresponding CDOM samples supporting the preferential extraction of higher molecular weight absorbing material. The wavelength dependence of the optical properties (absorption, fluorescence emission, and quantum yield) of the original water samples and their corresponding extracted material were very similar. C18 extracts and corresponding water samples further exhibited comparable optical changes following NaBH4 reduction, thus suggesting a similarity in nature (structure) of the optically active extracted material, independent of geographical locale. Altogether, these data suggested a strong similarity between C18 extracts and corresponding whole waters, thus indicating that extracts are representative of the CDOM content of original waters.

Finsler-Geometric Continuum Dynamics and Shock Compression

DTIC Science & Technology

2018-01-01

An important mathe - matical device used in the current derivations centers on the divergence theorem of Finsler geometry first presented by Rund...carbide ceramic. Philos Mag 92:2860–2893 Clayton JD (2012b)On anholonomic deformation, geometry, and differentiation. Math Mech Solids 17:702–735 Clayton... Math Phys 2015:828475 Clayton JD (2015b) Penetration resistance of armor ceramics: dimensional analysis and property correlations. Int J Impact Eng

Are some BL Lac objects artefacts of gravitational lensing?

NASA Technical Reports Server (NTRS)

Ostriker, J. P.; Vietri, M.

1985-01-01

It is proposed here that a significant fraction of BL Lac objects are optically violently variable quasars whose continuum emission has been greatly amplified, relative to the line emission, by pointlike gravitational lenses in intervening galaxies. Several anomalous physical and statistical properties of BL Lacs can be understood on the basis of this model, which is immediately testable on the basis of absorption line studies and by direct imaging.

Calculation of solar wind flows about terrestrial planets

NASA Technical Reports Server (NTRS)

Stahara, S. S.; Spreiter, J. R.

1982-01-01

A computational model was developed for the determination of the plasma and magnetic field properties of the global interaction of the solar wind with terrestrial planetary magneto/ionospheres. The theoretical method is based on an established single fluid, steady, dissipationless, magnetohydrodynamic continuum model, and is appropriate for the calculation of supersonic, super Alfvenic solar wind flow past terrestrial planets. A summary is provided of the important research results.

Disorder-induced stiffness degradation of highly disordered porous materials

NASA Astrophysics Data System (ADS)

Laubie, Hadrien; Monfared, Siavash; Radjaï, Farhang; Pellenq, Roland; Ulm, Franz-Josef

2017-09-01

The effective mechanical behavior of multiphase solid materials is generally modeled by means of homogenization techniques that account for phase volume fractions and elastic moduli without considering the spatial distribution of the different phases. By means of extensive numerical simulations of randomly generated porous materials using the lattice element method, the role of local textural properties on the effective elastic properties of disordered porous materials is investigated and compared with different continuum micromechanics-based models. It is found that the pronounced disorder-induced stiffness degradation originates from stress concentrations around pore clusters in highly disordered porous materials. We identify a single disorder parameter, φsa, which combines a measure of the spatial disorder of pores (the clustering index, sa) with the pore volume fraction (the porosity, φ) to scale the disorder-induced stiffness degradation. Thus, we conclude that the classical continuum micromechanics models with one spherical pore phase, due to their underlying homogeneity assumption fall short of addressing the clustering effect, unless additional texture information is introduced, e.g. in form of the shift of the percolation threshold with disorder, or other functional relations between volume fractions and spatial disorder; as illustrated herein for a differential scheme model representative of a two-phase (solid-pore) composite model material.

Individual-based modelling of population growth and diffusion in discrete time.

PubMed

Tkachenko, Natalie; Weissmann, John D; Petersen, Wesley P; Lake, George; Zollikofer, Christoph P E; Callegari, Simone

2017-01-01

Individual-based models (IBMs) of human populations capture spatio-temporal dynamics using rules that govern the birth, behavior, and death of individuals. We explore a stochastic IBM of logistic growth-diffusion with constant time steps and independent, simultaneous actions of birth, death, and movement that approaches the Fisher-Kolmogorov model in the continuum limit. This model is well-suited to parallelization on high-performance computers. We explore its emergent properties with analytical approximations and numerical simulations in parameter ranges relevant to human population dynamics and ecology, and reproduce continuous-time results in the limit of small transition probabilities. Our model prediction indicates that the population density and dispersal speed are affected by fluctuations in the number of individuals. The discrete-time model displays novel properties owing to the binomial character of the fluctuations: in certain regimes of the growth model, a decrease in time step size drives the system away from the continuum limit. These effects are especially important at local population sizes of <50 individuals, which largely correspond to group sizes of hunter-gatherers. As an application scenario, we model the late Pleistocene dispersal of Homo sapiens into the Americas, and discuss the agreement of model-based estimates of first-arrival dates with archaeological dates in dependence of IBM model parameter settings.

A Predictive Model for Chemically-Induced Fracture

NASA Astrophysics Data System (ADS)

Carter, Emily

2004-03-01

Mechanical properties of bulk solids are affected not only by macroscopic external loads, but also by chemical reactions, typically at surfaces and interfaces. For example, impurities in metals often coalesce at grain boundaries, leading to weakening of the sample under stress. Atmospheric corrosion is another example that, when combined with external loads, leads to stress-corrosion cracking. These are inherently multiscale phenomena, where the chemistry occurring at the atomic scale profoundly affects the mechanical properties at the micron to millimeter scale. Here we discuss a multiscale model of environmentally-assisted fracture. This involves coupling periodic density functional theory (DFT) at the atomic scale to a finite element continuum mechanics description of the coarser scale. A key component is the cohesive law, which we have shown takes on a universal form distinct from the generally used UBER model. Further, we propose a scheme to calculate physically realistic cohesive laws in the presence of mobile impurities. This cohesive law is then used to in a continuum model that couples stress-assisted diffusion with cohesive zone models of fracture to describe hydrogen embrittlement in metals. We show that this model, with a first principles-based cohesive law, provides insight into the observed intermittent cracking in steel, as well as good quantitative agreement with experiment.

Two chemically distinct light-absorbing pools of urban organic aerosols: A comprehensive multidimensional analysis of trends.

PubMed

Paula, Andreia S; Matos, João T V; Duarte, Regina M B O; Duarte, Armando C

2016-02-01

The chemical and light-absorption dynamics of organic aerosols (OAs), a master variable in the atmosphere, have yet to be resolved. This study uses a comprehensive multidimensional analysis approach for exploiting simultaneously the compositional changes over a molecular size continuum and associated light-absorption (ultraviolet absorbance and fluorescence) properties of two chemically distinct pools of urban OAs chromophores. Up to 45% of aerosol organic carbon (OC) is soluble in water and consists of a complex mixture of fluorescent and UV-absorbing constituents, with diverse relative abundances, hydrophobic, and molecular weight (Mw) characteristics between warm and cold periods. In contrast, the refractory alkaline-soluble OC pool (up to 18%) is represented along a similar Mw and light-absorption continuum throughout the different seasons. Results suggest that these alkaline-soluble chromophores may actually originate from primary OAs sources in the urban site. This work shows that the comprehensive multidimensional analysis method is a powerful and complementary tool for the characterization of OAs fractions. The great diversity in the chemical composition and optical properties of OAs chromophores, including both water-soluble and alkaline-soluble OC, may be an important contribution to explain the contrasting photo-reactivity and atmospheric behavior of OAs. Copyright © 2015 Elsevier Ltd. All rights reserved.

CLUES to the past: Local Group progenitors amongst high-redshift Lyman break galaxies

NASA Astrophysics Data System (ADS)

Dayal, Pratika; Libeskind, Noam I.; Dunlop, James S.

2013-06-01

We use state-of-the-art numerical simulations to explore the observability and the expected physical properties of the progenitors of the Local Group galaxies at z ≃ 6-8, within 1 billion years of the big bang. We find that the most massive progenitors of the Milky Way (MW) and Andromeda (M31) at z ≃ 6 and 7 are predicted to have absolute ultraviolet (UV) continuum magnitudes MUV ≃ -17 to -18, suggesting that their analogues lie close to the detection limits of the deepest near-infrared (IR) surveys conducted to date [i.e. Hubble Space Telescope Wide Field Camera 3/IR Ultra Deep Field (UDF)12]. This in turn confirms that the majority of currently known z ≃ 6-8 galaxies are expected to be the seeds of present-day galaxies which are more massive than L* spirals. We also discuss the properties of the Local Group progenitors at these early epochs, extending down to absolute magnitudes MUV ≃ -13. The most massive MW/M31 progenitors at z ≃ 7 have stellar masses M* ≃ 107.5-8 M⊙, stellar metallicities Z* ˜ 3-6 per cent Z⊙, and predicted observed UV continuum slopes β ≃ -2.4 to -2.5.

Calculations of the Electric Fields in Liquid Solutions

PubMed Central

Fried, Stephen D.; Wang, Lee-Ping; Boxer, Steven G.; Ren, Pengyu; Pande, Vijay S.

2014-01-01

The electric field created by a condensed phase environment is a powerful and convenient descriptor for intermolecular interactions. Not only does it provide a unifying language to compare many different types of interactions, but it also possesses clear connections to experimental observables, such as vibrational Stark effects. We calculate here the electric fields experienced by a vibrational chromophore (the carbonyl group of acetophenone) in an array of solvents of diverse polarities using molecular dynamics simulations with the AMOEBA polarizable force field. The mean and variance of the calculated electric fields correlate well with solvent-induced frequency shifts and band broadening, suggesting Stark effects as the underlying mechanism of these key solution phase spectral effects. Compared to fixed-charge and continuum models, AMOEBA was the only model examined that could describe non-polar, polar, and hydrogen bonding environments in a consistent fashion. Nevertheless, we found that fixed-charge force fields and continuum models were able to replicate some results of the polarizable simulations accurately, allowing us to clearly identify which properties and situations require explicit polarization and/or atomistic representations to be modeled properly, and for which properties and situations simpler models are sufficient. We also discuss the ramifications of these results for modeling electrostatics in complex environments, such as proteins. PMID:24304155

Some Antifungal Properties of Sorbic Acid Extracted from Berries of Rowan (Sorbus Aucuparia).

ERIC Educational Resources Information Center

Brunner, Ulrich

1985-01-01

The food preservative sorbic acid can be extracted from Eurasian mountain ash berries (commercially available) and used to show antifungal properties in microbiological investigations. Techniques for extraction, purification, ultraviolet analysis, and experiments displaying antifungal activity are described. A systematic search for similar…

Extraction, composition and functional properties of pennycress (Thlaspi arvense L.) press cake protein

USDA-ARS?s Scientific Manuscript database

This study compared two methods for extracting the protein in pennycress (Thlaspi arvense L.) press cake and determined the composition and functional properties of the protein products. Proteins in pennycress press cake were extracted by using the conventional alkali solubilization-acid precipitati...

Broadly continuously tunable slot waveguide quantum cascade lasers based on a continuum-to-continuum active region design

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

Meng, Bo; Zeng, Yong Quan; Liang, Guozhen

2015-09-14

We report our progress in the development of broadly tunable single-mode slot waveguide quantum cascade lasers based on a continuum-to-continuum active region design. The electroluminescence spectrum of the continuum-to-continuum active region design has a full width at half maximum of 440 cm{sup −1} at center wavelength ∼10 μm at room temperature (300 K). Devices using the optimized slot waveguide structure and the continuum-to-continuum design can be tuned continuously with a lasing emission over 42 cm{sup −1}, from 9.74 to 10.16 μm, at room temperature by using only current tuning scheme, together with a side mode suppression ratio of above 15 dB within the whole tuning range.

Lyman-continuum leakage as dominant source of diffuse ionized gas in the Antennae galaxy

NASA Astrophysics Data System (ADS)

Weilbacher, Peter M.; Monreal-Ibero, Ana; Verhamme, Anne; Sandin, Christer; Steinmetz, Matthias; Kollatschny, Wolfram; Krajnović, Davor; Kamann, Sebastian; Roth, Martin M.; Erroz-Ferrer, Santiago; Marino, Raffaella Anna; Maseda, Michael V.; Wendt, Martin; Bacon, Roland; Dreizler, Stefan; Richard, Johan; Wisotzki, Lutz

2018-04-01

The Antennae galaxy (NGC 4038/39) is the closest major interacting galaxy system and is therefore often studied as a merger prototype. We present the first comprehensive integral field spectroscopic dataset of this system, observed with the MUSE instrument at the ESO VLT. We cover the two regions in this system which exhibit recent star formation: the central galaxy interaction and a region near the tip of the southern tidal tail. In these fields, we detect HII regions and diffuse ionized gas to unprecedented depth. About 15% of the ionized gas was undetected by previous observing campaigns. This newly detected faint ionized gas is visible everywhere around the central merger, and shows filamentary structure. We estimate diffuse gas fractions of about 60% in the central field and 10% in the southern region. We are able to show that the southern region contains a significantly different population of HII regions, showing fainter luminosities. By comparing HII region luminosities with the HST catalog of young star clusters in the central field, we estimate that there is enough Lyman-continuum leakage in the merger to explain the amount of diffuse ionized gas that we detect. We compare the Lyman-continuum escape fraction of each HII region against emission line ratios that are sensitive to the ionization parameter. While we find no systematic trend between these properties, the most extreme line ratios seem to be strong indicators of density bounded ionization. Extrapolating the Lyman-continuum escape fractions to the southern region, we conclude that simply from the comparison of the young stellar populations to the ionized gas there is no need to invoke other ionization mechanisms than Lyman-continuum leaking HII regions for the diffuse ionized gas in the Antennae. FITS images and Table of HII regions are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/611/A95 and at http://muse-vlt.eu/science/antennae/

Discovery of a complex linearly polarized spectrum of Betelgeuse dominated by depolarization of the continuum

NASA Astrophysics Data System (ADS)

Aurière, M.; López Ariste, A.; Mathias, P.; Lèbre, A.; Josselin, E.; Montargès, M.; Petit, P.; Chiavassa, A.; Paletou, F.; Fabas, N.; Konstantinova-Antova, R.; Donati, J.-F.; Grunhut, J. H.; Wade, G. A.; Herpin, F.; Kervella, P.; Perrin, G.; Tessore, B.

2016-06-01

Context. Betelgeuse is an M supergiant that harbors spots and giant granules at its surface and presents linear polarization of its continuum. Aims: We have previously discovered linear polarization signatures associated with individual lines in the spectra of cool and evolved stars. Here, we investigate whether a similar linearly polarized spectrum exists for Betelgeuse. Methods: We used the spectropolarimeter Narval, combining multiple polarimetric sequences to obtain high signal-to-noise ratio spectra of individual lines, as well as the least-squares deconvolution (LSD) approach, to investigate the presence of an averaged linearly polarized profile for the photospheric lines. Results: We have discovered the existence of a linearly polarized spectrum for Betelgeuse, detecting a rather strong signal (at a few times 10-4 of the continuum intensity level), both in individual lines and in the LSD profiles. Studying its properties and the signal observed for the resonant Na I D lines, we conclude that we are mainly observing depolarization of the continuum by the absorption lines. The linear polarization of the Betelgeuse continuum is due to the anisotropy of the radiation field induced by brightness spots at the surface and Rayleigh scattering in the atmosphere. We have developed a geometrical model to interpret the observed polarization, from which we infer the presence of two brightness spots and their positions on the surface of Betelgeuse. We show that applying the model to each velocity bin along the Stokes Q and U profiles allows the derivation of a map of the bright spots. We use the Narval linear polarization observations of Betelgeuse obtained over a period of 1.4 yr to study the evolution of the spots and of the atmosphere. Conclusions: Our study of the linearly polarized spectrum of Betelgeuse provides a novel method for studying the evolution of brightness spots at its surface and complements quasi-simultaneous observations obtained with PIONIER at the VLTI. Based on observations obtained at the Télescope Bernard Lyot (TBL) at Observatoire du Pic du Midi, CNRS/INSU and Université de Toulouse, France.

"Group IV Nanomembranes, Nanoribbons, and Quantum Dots: Processing, Characterization, and Novel Devices"

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

liu, feng

This theoretical project has been carried out in close interaction with the experimental project at UW-Madison under the same title led by PI Max Lagally and co-PI Mark Eriksson. Extensive computational studies have been performed to address a broad range of topics from atomic structure, stability, mechanical property, to electronic structure, optoelectronic and transport properties of various nanoarchitectures in the context of Si and other solid nanomembranes. These have been done by using combinations of different theoretical and computational approaches, ranging from first-principles calculations and molecular dynamics (MD) simulations to finite-element (FE) analyses and continuum modeling.

Coarse-Grained Models for Protein-Cell Membrane Interactions

PubMed Central

Bradley, Ryan; Radhakrishnan, Ravi

2015-01-01

The physiological properties of biological soft matter are the product of collective interactions, which span many time and length scales. Recent computational modeling efforts have helped illuminate experiments that characterize the ways in which proteins modulate membrane physics. Linking these models across time and length scales in a multiscale model explains how atomistic information propagates to larger scales. This paper reviews continuum modeling and coarse-grained molecular dynamics methods, which connect atomistic simulations and single-molecule experiments with the observed microscopic or mesoscale properties of soft-matter systems essential to our understanding of cells, particularly those involved in sculpting and remodeling cell membranes. PMID:26613047

The pulsating orb: solving the wave equation outside a ball

PubMed Central

2016-01-01

Transient acoustic waves are generated by the oscillations of an object or are scattered by the object. This leads to initial-boundary value problems (IBVPs) for the wave equation. Basic properties of this equation are reviewed, with emphasis on characteristics, wavefronts and compatibility conditions. IBVPs are formulated and their properties reviewed, with emphasis on weak solutions and the constraints imposed by the underlying continuum mechanics. The use of the Laplace transform to treat the IBVPs is also reviewed, with emphasis on situations where the solution is discontinuous across wavefronts. All these notions are made explicit by solving simple IBVPs for a sphere in some detail. PMID:27279773

Prognosis parameters and polarimetric properties of erythrocytes of the patients suffering from arterial hypertension and coronary heart disease at various patterns of left ventricular remodeling

NASA Astrophysics Data System (ADS)

Ivaschuk, Oleg I.; Kolomoiets, M. Y.; Mikhaliev, K. O.; Chursina, T. Ya.

2011-09-01

The results of examination of 35 arterial hypertension and coronary heart disease patients are presented. The clinical, paraclinical and echocardiographic examinations were performed, and the parameters of prognosis (survival) according to Seattle Heart Failure Model, as well as the optical (polarimetric) properties of erythrocytic suspension were determined. The group of patients under examination was stratified by patterns of remodeling of left ventricle (LV). It was determined that increasing of anisotropy of erythrocytic suspension along LV remodeling patterns continuum correlates with aggravation of structural and functional state of LV and is associated with unfavorable prognosis.

Near infrared index to assess the effect of soil tillage and fertilizer on soil water content.

NASA Astrophysics Data System (ADS)

Soltani, Ines; Fouad, Youssef; Michot, Didier; Breger, Pascale; Dubois, Remy; Pichelin, Pascal; Cudennec, Christophe

2017-04-01

Characterization of soil hydraulic properties is important for assessing soil water regime in agricultural fields. In the laboratory, measurements of soil hydrodynamic properties are costly and time consuming. Numerous studies recently demonstrated that reflectance spectroscopy can give a rapid estimation of several soil properties including those related with soil water content. The main objective of this research study was to show that near infrared spectroscopy (NIRS) is a useful tool to study the combined effect of soil tillage and fertilizer input on soil hydrodynamic properties. The study was carried out on soil samples collected from an experimental station located in Brittany, France. In 2000, the field was designed in a split-plot combining three tillage practices and four sources of fertilizers (mineral and organic). Undisturbed soil blocks were sampled in 2012 from three different depths of topsoil (0-7 cm, 7-15 cm and 15-20 cm) at each treatment. From each soil block, four aggregates with 3-4 cm diameter by 5-6 cm height were collected. Soil aggregates were first saturated and were then drained through 10 matric potential, from saturation up to permanent wilting point (pF=4.2), by successively using a suction table and a pressure chamber. Once the desired water pressure head was reached, soil samples were scanned to acquire reflectance spectra between 400-2500 nm using a handheld spectroradiometer equipped with a contact probe. Each spectrum was transformed into continuum removal, and an index based on the full width at half maximum (FWHM) of the absorption feature around 1920 nm was calculated. This index showed a linear relationship (R2>0.9) with volumetric water content. Moreover our results showed that the slope of the line was well correlated with the range of treatment. Overall, our findings indicate that the absorption feature of continuum removal spectra around 1900 nm can be useful to study the effect, particularly, of tillage on hydrodynamic properties of soils.

On planetary nebulae as sources of carbon dust: Infrared emission from planetary nebulae of the galactic halo

NASA Technical Reports Server (NTRS)

Dinerstein, Harriet L.; Lester, Daniel F.

1990-01-01

Planetary nebulae of the galactic disk are generally seen to emit a thermal continuum due to dust grains heated by stellar and nebular photons. This continuum typically peaks between 25 and 60 micron m, so that the total power emitted by the dust is sampled well by the broad-band measurements made by IRAS. Researchers examine here the characteristics of the infrared emission from the four planetary nebulae which are believed on the basis of their low overall metallicities to belong to the halo population. These nebulae are of particular interest because they are the most metal-poor ionized nebulae known in our Galaxy, and offer the opportunity to probe possible dependences of the dust properties on nebular composition. Researchers present fluxes extracted from co-addition of the IRAS data, as well as ground-based near infrared measurements. Each of the four halo objects, including the planetary nebula in the globular cluster M15, is detected in at least one infrared band. Researchers compare the estimated infrared excesses of these nebulae (IRE, the ratio of measured infrared power to the power available in the form of resonantly-trapped Lyman alpha photons) to those of disk planetary nebulae with similar densities but more normal abundances. Three of the halo planetaries have IRE values similar to those of the disk nebulae, despite the fact that their Fe- and Si-peak gas phase abundances are factors of 10 to 100 lower. However, these halo nebulae have normal or elevated C/H ratios, due to nuclear processing and mixing in their red giant progenitors. Unlike the other halo planetaries, DDDM1 is deficient in carbon as well as in the other light metals. This nebula has a substantially lower IRE than the other halo planetaries, and may be truly dust efficient. Researchers suggest that the deficiency is due to a lack of the raw material for producing carbon-based grains, and that the main bulk constituent of the dust in these planetary nebulae is carbon.

ALMA Observations Show Major Mergers Among the Host Galaxies of Fast-growing, High-redshift​ Supermassive​ Black Holes

NASA Astrophysics Data System (ADS)

Trakhtenbrot, Benny; Lira, Paulina; Netzer, Hagai; Cicone, Claudia; Maiolino, Roberto; Shemmer, Ohad

2017-02-01

We present new ALMA band-7 data for a sample of six luminous quasars at z≃ 4.8, powered by fast-growing supermassive black holes (SMBHs) with rather uniform properties: the typical accretion rates and black hole masses are L/{L}{Edd}≃ 0.7 and {M}{BH}≃ {10}9 {M}⊙ . Our sample consists of three “FIR-bright” sources, which were individually detected in previous Herschel/SPIRE observations, with star formation rates of {SFR}> 1000 {M}⊙ {{yr}}-1, and three “FIR-faint” sources for which Herschel stacking analysis implies a typical SFR of ˜400 {M}⊙ {{yr}}-1. The dusty interstellar medium in the hosts of all six quasars is clearly detected in the ALMA data and resolved on scales of ˜2 kpc, in both continuum ({λ }{rest}˜ 150 μ {{m}}) and [{{C}} {{II}}] λ 157.74 μ {{m}} line emission. The continuum emission is in good agreement with the expectations from the Herschel data, confirming the intense SF activity in the quasar hosts. Importantly, we detect companion sub-millimeter galaxies (SMGs) for three sources—one FIR-bright and two FIR-faint, separated by ˜ 14{--}45 {kpc} and < 450 {km} {{{s}}}-1 from the quasar hosts. The [{{C}} {{II}}]-based dynamical mass estimates for the interacting SMGs are within a factor of ˜3 of the quasar hosts’ masses, while the continuum emission implies {{SFR}}{quasar}˜ (2{--}11)× {{SFR}}{SMG}. Our ALMA data therefore clearly support the idea that major mergers are important drivers for rapid early SMBH growth. However, the fact that not all high-SFR quasar hosts are accompanied by interacting SMGs and the gas kinematics as observed by ALMA suggest that other processes may be fueling these systems. Our analysis thus demonstrates the diversity of host galaxy properties and gas accretion mechanisms associated with early and rapid SMBH growth.

Deterred drug abuse using superabsorbent polymers.

PubMed

Mastropietro, David J; Muppalaneni, Srinath; Omidian, Hossein

2016-11-01

This study aimed to determine whether selected superabsorbent polymers (SAPs) could be used as a suitable alternative to thwart extraction, filtration, and syringeability attempts for abuse. Many abuse-deterrent formulations (ADFs) rely on high molecular weight polymers such as poly(ethylene oxide) to provide crush and extraction resistance. However, these polymers suffer from slow dissolution kinetics, and are susceptible to a variety of abuse conditions. Several commercially available SAPs were evaluated for swelling behavior in extraction solvents, and tableting properties. Post-compaction abuse properties were evaluated by recoverable volume and syringeability after solvent extraction. Drug release and percent drug extraction were conducted using tramadol HCl as a model drug. Certain SAPs had the ability to rapidly imbibe solvent and effectively stop extraction processes in a variety of solvents, including water and water/alcohol mixtures. Tablets containing SAP and drug showed no effect on drug release in vitro. SAPs possess adequate properties for tableting, and maintain their high and fast swelling properties after compaction. The fast and extensive interactions of SAPs with aqueous medium are a major advantage over non-crosslinked high molecular weight viscosifying agents such as poly(ethylene oxide).

Continuum Approaches to Understanding Ion and Peptide Interactions with the Membrane

PubMed Central

Latorraca, Naomi R.; Callenberg, Keith M.; Boyle, Jon P.; Grabe, Michael

2014-01-01

Experimental and computational studies have shown that cellular membranes deform to stabilize the inclusion of transmembrane (TM) proteins harboring charge. Recent analysis suggests that membrane bending helps to expose charged and polar residues to the aqueous environment and polar head groups. We previously used elasticity theory to identify membrane distortions that minimize the insertion of charged TM peptides into the membrane. Here, we extend our work by showing that it also provides a novel, computationally efficient method for exploring the energetics of ion and small peptide penetration into membranes. First, we show that the continuum method accurately reproduces energy profiles and membrane shapes generated from molecular simulations of bare ion permeation at a fraction of the computational cost. Next, we demonstrate that the dependence of the ion insertion energy on the membrane thickness arises primarily from the elastic properties of the membrane. Moreover, the continuum model readily provides a free energy decomposition into components not easily determined from molecular dynamics. Finally, we show that the energetics of membrane deformation strongly depend on membrane patch size both for ions and peptides. This dependence is particularly strong for peptides based on simulations of a known amphipathic, membrane binding peptide from the human pathogen Toxoplasma gondii. In total, we address shortcomings and advantages that arise from using a variety of computational methods in distinct biological contexts. PMID:24652510

IUE observations of circumstellar emission from the late type variable R Aquarii /M7 + pec/

NASA Technical Reports Server (NTRS)

Michalitsianos, A. G.; Hobbs, R. W.; Kafatos, M.

1980-01-01

IUE observations of R Aquarii (M7 + pec) have been obtained in low dispersion in order to study its circumstellar emission. Strong permitted, semiforbidden, and forbidden emission lines are identified that are superposed on a bright ultraviolet continuum. From the analysis it is deduced that the strong emission-line spectrum that involves semiforbidden C III, C IV, semiforbidden Si III, forbidden O II, and forbidden O III probably arises from a dense compact nebula the size of which is comparable to the binary system of which R Aqr is the primary star. Low-excitation emission lines of Fe II, Mg II, O I, and Si II suggest the presence of a warm chromosphere (T less than about 10,000 K) in the primary M7 late type giant. The secondary is identified as a white dwarf, comparable to or somewhat brighter than the sun, since such a star can produce enough ionizing photons to excite the continuum and emission-line spectrum and yet be sufficiently faint to escape detection by direct observation. The UV continuum observed is attributed to Balmer recombination and not to blackbody emission from the hot companion. The general spectral properties of R Aqr between 1200 A and 3200 A are discussed in the context of the model for the circumstellar nebula, the companion, and the mass-loss rate of the primary star.

The spectral evolution of the first galaxies. III. Simulated James Webb Space Telescope spectra of reionization-epoch galaxies with Lyman-continuum leakage

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

Zackrisson, Erik; Binggeli, Christian; Finlator, Kristian

In this study, using four different suites of cosmological simulations, we generate synthetic spectra for galaxies with different Lyman-continuum escape fractions (f (esc)) at redshiftsmore » $$z\\approx 7$$–9, in the rest-frame wavelength range relevant for the James Webb Space Telescope ( JWST) NIRSpec instrument. By investigating the effects of realistic star formation histories and metallicity distributions on the EW(Hβ)–β diagram (previously proposed as a tool for identifying galaxies with very high f (esc)), we find that neither of these effects are likely to jeopardize the identification of galaxies with extreme Lyman-continuum leakage. Based on our models, we expect that essentially all $$z\\approx 7\\mbox{–}9$$ galaxies that exhibit rest-frame $$\\mathrm{EW}({\\rm{H}}\\beta )\\lesssim 30$$ Å to have $${f}_{\\mathrm{esc}}\\gt 0.5$$. Incorrect assumptions concerning the ionizing fluxes of stellar populations or the dust properties of $$z\\gt 6$$ galaxies can in principle bias the selection, but substantial model deficiencies of this type should at the same time be evident from offsets in the observed distribution of $$z\\gt 6$$ galaxies in the EW(Hβ)–β diagram compared to the simulated distribution. Such offsets would thereby allow JWST/NIRSpec measurements of these observables to serve as input for further model refinement.« less

Modeling CO2 Storage in Fractured Reservoirs: Fracture-Matrix Interactions of Free-Phase and Dissolved CO2

NASA Astrophysics Data System (ADS)

Oldenburg, C. M.; Zhou, Q.; Birkholzer, J. T.

2017-12-01

The injection of supercritical CO2 (scCO2) in fractured reservoirs has been conducted at several storage sites. However, no site-specific dual-continuum modeling for fractured reservoirs has been reported and modeling studies have generally underestimated the fracture-matrix interactions. We developed a conceptual model for enhanced CO2 storage to take into account global scCO2 migration in the fracture continuum, local storage of scCO2 and dissolved CO2 (dsCO2) in the matrix continuum, and driving forces for scCO2 invasion and dsCO2 diffusion from fractures. High-resolution discrete fracture-matrix models were developed for a column of idealized matrix blocks bounded by vertical and horizontal fractures and for a km-scale fractured reservoir. The column-scale simulation results show that equilibrium storage efficiency strongly depends on matrix entry capillary pressure and matrix-matrix connectivity while the time scale to reach equilibrium is sensitive to fracture spacing and matrix flow properties. The reservoir-scale modeling results shows that the preferential migration of scCO2 through fractures is coupled with bulk storage in the rock matrix that in turn retards the fracture scCO2 plume. We also developed unified-form diffusive flux equations to account for dsCO2 storage in brine-filled matrix blocks and found solubility trapping is significant in fractured reservoirs with low-permeability matrix.

The spectral evolution of the first galaxies. III. Simulated James Webb Space Telescope spectra of reionization-epoch galaxies with Lyman-continuum leakage

DOE PAGES

Zackrisson, Erik; Binggeli, Christian; Finlator, Kristian; ...

2017-02-09

In this study, using four different suites of cosmological simulations, we generate synthetic spectra for galaxies with different Lyman-continuum escape fractions (f (esc)) at redshiftsmore » $$z\\approx 7$$–9, in the rest-frame wavelength range relevant for the James Webb Space Telescope ( JWST) NIRSpec instrument. By investigating the effects of realistic star formation histories and metallicity distributions on the EW(Hβ)–β diagram (previously proposed as a tool for identifying galaxies with very high f (esc)), we find that neither of these effects are likely to jeopardize the identification of galaxies with extreme Lyman-continuum leakage. Based on our models, we expect that essentially all $$z\\approx 7\\mbox{–}9$$ galaxies that exhibit rest-frame $$\\mathrm{EW}({\\rm{H}}\\beta )\\lesssim 30$$ Å to have $${f}_{\\mathrm{esc}}\\gt 0.5$$. Incorrect assumptions concerning the ionizing fluxes of stellar populations or the dust properties of $$z\\gt 6$$ galaxies can in principle bias the selection, but substantial model deficiencies of this type should at the same time be evident from offsets in the observed distribution of $$z\\gt 6$$ galaxies in the EW(Hβ)–β diagram compared to the simulated distribution. Such offsets would thereby allow JWST/NIRSpec measurements of these observables to serve as input for further model refinement.« less

Improved continuum lowering calculations in screened hydrogenic model with l-splitting for high energy density systems

NASA Astrophysics Data System (ADS)

Ali, Amjad; Shabbir Naz, G.; Saleem Shahzad, M.; Kouser, R.; Aman-ur-Rehman; Nasim, M. H.

2018-03-01

The energy states of the bound electrons in high energy density systems (HEDS) are significantly affected due to the electric field of the neighboring ions. Due to this effect bound electrons require less energy to get themselves free and move into the continuum. This phenomenon of reduction in potential is termed as ionization potential depression (IPD) or the continuum lowering (CL). The foremost parameter to depict this change is the average charge state, therefore accurate modeling for CL is imperative in modeling atomic data for computation of radiative and thermodynamic properties of HEDS. In this paper, we present an improved model of CL in the screened hydrogenic model with l-splitting (SHML) proposed by G. Faussurier and C. Blancard, P. Renaudin [High Energy Density Physics 4 (2008) 114] and its effect on average charge state. We propose the level charge dependent calculation of CL potential energy and inclusion of exchange and correlation energy in SHML. By doing this, we made our model more relevant to HEDS and free from CL empirical parameter to the plasma environment. We have implemented both original and modified model of SHML in our code named OPASH and benchmark our results with experiments and other state-of-the-art simulation codes. We compared our results of average charge state for Carbon, Beryllium, Aluminum, Iron and Germanium against published literature and found a very reasonable agreement between them.

A Review of Digital, Social, and Mobile Technologies in Health Professional Education.

PubMed

Curran, Vernon; Matthews, Lauren; Fleet, Lisa; Simmons, Karla; Gustafson, Diana L; Wetsch, Lyle

2017-01-01

Digital, social, and mobile technologies (DSMTs) can support a wide range of self-directed learning activities, providing learners with diverse resources, information, and ways to network that support their learning needs. DSMTs are increasingly used to facilitate learning across the continuum of health professional education (HPE). Given the diverse characteristics of DSMTs and the formal, informal, and nonformal nature of health professional learning, a review of the literature on DSMTs and HPE could inform more effective adoption and usage by regulatory organizations, educators, and learners. A scoping review of the literature was performed to explore the effectiveness and implications of adopting and using DSMTs across the educational continuum in HPE. A data extraction tool was used to review and analyze 125 peer-reviewed articles. Common themes were identified by thematic analysis. Most articles (56.0%) related to undergraduate education; 31.2% to continuing professional development, and 52.8% to graduate/postgraduate education. The main DSMTs described include mobile phones, apps, tablets, Facebook, Twitter, and YouTube. Approximately half of the articles (49.6%) reported evaluative outcomes at a satisfaction/reaction level; 45.6% were commentaries, reporting no evaluative outcomes. Most studies reporting evaluative outcomes suggest that learners across all levels are typically satisfied with the use of DSMTs in their learning. Thematic analysis revealed three main themes: use of DSMTs across the HPE continuum; key benefits and barriers; and best practices. Despite the positive commentary on the potential benefits and opportunities for enhancing teaching and learning in HPE with DSMTs, there is limited evidence at this time that demonstrates effectiveness of DSMTs at higher evaluative outcome levels. Further exploration of the learning benefits and effectiveness of DSMTs for teaching and learning in HPE is warranted.

ALMA REVEALS THE ANATOMY OF THE mm-SIZED DUST AND MOLECULAR GAS IN THE HD 97048 DISK

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

Walsh, Catherine; Maud, Luke T.; Juhász, Attila

Transitional disks show a lack of excess emission at infrared wavelengths due to a large dust cavity, that is often corroborated by spatially resolved observations at ∼ mm wavelengths. We present the first spatially resolved ∼ mm-wavelength images of the disk around the Herbig Ae/Be star, HD 97048. Scattered light images show that the disk extends to ≈640 au. ALMA data reveal a circular-symmetric dusty disk extending to ≈350 au, and a molecular disk traced in CO J = 3-2 emission, extending to ≈750 au. The CO emission arises from a flared layer with an opening angle ≈30°–40°. HD 97048more » is another source for which the large (∼ mm-sized) dust grains are more centrally concentrated than the small (∼ μ m-sized) grains and molecular gas, likely due to radial drift. The images and visibility data modeling suggest a decrement in continuum emission within ≈50 au, consistent with the cavity size determined from mid-infrared imaging (34 ± 4 au). The extracted continuum intensity profiles show ring-like structures with peaks at ≈50, 150, and 300 au, with associated gaps at ≈100 and 250 au. This structure should be confirmed in higher-resolution images (FWHM ≈ 10–20 au). These data confirm the classification of HD 97048 as a transitional disk that also possesses multiple ring-like structures in the dust continuum emission. Additional data are required at multiple and well-separated frequencies to fully characterize the disk structure, and thereby constrain the mechanism(s) responsible for sculpting the HD 97048 disk.« less

ALMA Reveals the Anatomy of the mm-sized Dust and Molecular Gas in the HD 97048 Disk

NASA Astrophysics Data System (ADS)

Walsh, Catherine; Juhász, Attila; Meeus, Gwendolyn; Dent, William R. F.; Maud, Luke T.; Aikawa, Yuri; Millar, Tom J.; Nomura, Hideko

2016-11-01

Transitional disks show a lack of excess emission at infrared wavelengths due to a large dust cavity, that is often corroborated by spatially resolved observations at ˜ mm wavelengths. We present the first spatially resolved ˜ mm-wavelength images of the disk around the Herbig Ae/Be star, HD 97048. Scattered light images show that the disk extends to ≈640 au. ALMA data reveal a circular-symmetric dusty disk extending to ≈350 au, and a molecular disk traced in CO J = 3-2 emission, extending to ≈750 au. The CO emission arises from a flared layer with an opening angle ≈30°-40°. HD 97048 is another source for which the large (˜ mm-sized) dust grains are more centrally concentrated than the small (˜μm-sized) grains and molecular gas, likely due to radial drift. The images and visibility data modeling suggest a decrement in continuum emission within ≈50 au, consistent with the cavity size determined from mid-infrared imaging (34 ± 4 au). The extracted continuum intensity profiles show ring-like structures with peaks at ≈50, 150, and 300 au, with associated gaps at ≈100 and 250 au. This structure should be confirmed in higher-resolution images (FWHM ≈ 10-20 au). These data confirm the classification of HD 97048 as a transitional disk that also possesses multiple ring-like structures in the dust continuum emission. Additional data are required at multiple and well-separated frequencies to fully characterize the disk structure, and thereby constrain the mechanism(s) responsible for sculpting the HD 97048 disk.

X-shooter spectroscopy of young stellar objects. IV. Accretion in low-mass stars and substellar objects in Lupus

NASA Astrophysics Data System (ADS)

Alcalá, J. M.; Natta, A.; Manara, C. F.; Spezzi, L.; Stelzer, B.; Frasca, A.; Biazzo, K.; Covino, E.; Randich, S.; Rigliaco, E.; Testi, L.; Comerón, F.; Cupani, G.; D'Elia, V.

2014-01-01

We present VLT/X-shooter observations of a sample of 36 accreting low-mass stellar and substellar objects (YSOs) in the Lupus star-forming region, spanning a range in mass from ~0.03 to ~1.2 M⊙, but mostly with 0.1 M⊙

A physically-based continuum damage mechanics model for numerical prediction of damage growth in laminated composite plates

NASA Astrophysics Data System (ADS)

Williams, Kevin Vaughan

Rapid growth in use of composite materials in structural applications drives the need for a more detailed understanding of damage tolerant and damage resistant design. Current analytical techniques provide sufficient understanding and predictive capabilities for application in preliminary design, but current numerical models applicable to composites are few and far between and their development into well tested, rigorous material models is currently one of the most challenging fields in composite materials. The present work focuses on the development, implementation, and verification of a plane-stress continuum damage mechanics based model for composite materials. A physical treatment of damage growth based on the extensive body of experimental literature on the subject is combined with the mathematical rigour of a continuum damage mechanics description to form the foundation of the model. The model has been implemented in the LS-DYNA3D commercial finite element hydrocode and the results of the application of the model are shown to be physically meaningful and accurate. Furthermore it is demonstrated that the material characterization parameters can be extracted from the results of standard test methodologies for which a large body of published data already exists for many materials. Two case studies are undertaken to verify the model by comparison with measured experimental data. The first series of analyses demonstrate the ability of the model to predict the extent and growth of damage in T800/3900-2 carbon fibre reinforced polymer (CFRP) plates subjected to normal impacts over a range of impact energy levels. The predicted force-time and force-displacement response of the panels compare well with experimental measurements. The damage growth and stiffness reduction properties of the T800/3900-2 CFRP are derived using published data from a variety of sources without the need for parametric studies. To further demonstrate the physical nature of the model, a IM6/937 CFRP with a more brittle matrix system than 3900-2 is also analysed. Results of analyses performed under the same impact conditions do not compare as well quantitatively with measurements but the results are still promising and qualitative differences between the T800/3900-2 and IM6/937 are accurately captured. Finally, to further demonstrate the capability of the model, the response of a notched CFRP plate under quasi-static tensile loading is simulated and compared to experimental measurements. Of particular significance is the fact that the experimental test modelled in this case is uniquely suited to the characterization of the strain softening phenomenon observed in FRP laminates. Results of this virtual experiment compare very favourably with the measured damage growth and force-displacement curves.

Topical vesicular formulations of Curcuma longa extract on recuperating the ultraviolet radiation-damaged skin.

PubMed

Kaur, Chanchal Deep; Saraf, Swarnlata

2011-12-01

  Ultraviolet radiations generate reactive oxygen species, leading to adverse effects on skin properties. Botanical extracts are multifunctional in nature having various properties like photoprotection, anti-aging, moisturizing, antioxidant, astringent, anti-irritant, and antimicrobial activity.   The aim of this study was to formulate creams having Curcuma longa extract loaded novel vesicular systems (liposomes, ethosomes, and transfersomes) and study their photoprotective effect by assessment of skin hydration (Cutometer) and sebum content (Sebumeter).   The alcoholic C. longa extract loaded liposomes, ethosomes, and transfersomes having 0.5-2.0% w/w extract were prepared, evaluated for size, entrapment efficiency, and incorporated into the cream. Their long-term interaction with skin (6 weeks) was compared in terms of their effects on skin hydration and sebum content.   Vesicular size obtained was in the range 167.3 ± 3.0 to 262.4 ± 2.4 nm with low polydispersity index (0.2-0.3) and high entrapment efficiency. The efficacy was in the order C. longa extract loaded transfersomal creams > C. longa extract loaded ethosomal creams > C. longa extract loaded liposomal creams > C. longa extract loaded creams > Empty transfersome loaded cream > Empty ethosome loaded cream > Empty liposome loaded cream > Base cream.   The photoprotective properties of the constituents of C. longa extract and hydrant, moisturizing lipid components of nano vesicles with better skin penetration resulted in improvement in skin properties like skin hydration and sebum content. The herbal extract loaded nano vesicles incorporated in cream could be used as photoprotective formulations. © 2011 Wiley Periodicals, Inc.

Virtual Design and Testing of Materials: A Multiscale Approach

DTIC Science & Technology

2006-06-30

Impurities in Aluminum and Their Effect on Mechanical Properties ", Phys. Rev. B 65, 064102 (2002). 21. G. Lu, V. Bulatov, and N. Kioussis, "Dislocation...materials: atomistic and continuum models with application to titanium - aluminides ", Phil. Mag. A 82, 2397-2417 (2002). 31. V.S. Deshpande, A. Needleman and...be used to test, and suggest design strategies for, new advanced structured materials. IS. SUBJECT TERMS 16. SECURITY CLASSIFICATION OF: Unclassified

Shape of a ponytail and the statistical physics of hair fiber bundles.

PubMed

Goldstein, Raymond E; Warren, Patrick B; Ball, Robin C

2012-02-17

A general continuum theory for the distribution of hairs in a bundle is developed, treating individual fibers as elastic filaments with random intrinsic curvatures. Applying this formalism to the iconic problem of the ponytail, the combined effects of bending elasticity, gravity, and orientational disorder are recast as a differential equation for the envelope of the bundle, in which the compressibility enters through an "equation of state." From this, we identify the balance of forces in various regions of the ponytail, extract a remarkably simple equation of state from laboratory measurements of human ponytails, and relate the pressure to the measured random curvatures of individual hairs.

Determination of baryon-baryon elastic scattering phase shift from finite volume spectra in elongated boxes

NASA Astrophysics Data System (ADS)

Li, Ning; Wu, Ya-Jie; Liu, Zhan-Wei

2018-01-01

The relations between the baryon-baryon elastic scattering phase shifts and the two-particle energy spectrum in the elongated box are established. We studied the cases with both the periodic boundary condition and twisted boundary condition in the center of mass frame. The framework is also extended to the system of nonzero total momentum with periodic boundary condition in the moving frame. Moreover, we discussed the sensitivity functions σ (q ) that represent the sensitivity of higher scattering phases. Our analytical results will be helpful to extract the baryon-baryon elastic scattering phase shifts in the continuum from lattice QCD data by using elongated boxes.

Enhancing clostridial acetone-butanol-ethanol (ABE) production and improving fuel properties of ABE-enriched biodiesel by extractive fermentation with biodiesel.

PubMed

Li, Qing; Cai, Hao; Hao, Bo; Zhang, Congling; Yu, Ziniu; Zhou, Shengde; Chenjuan, Liu

2010-12-01

The extractive acetone-butanol-ethanol (ABE) fermentations of Clostridium acetobutylicum were evaluated using biodiesel as the in situ extractant. The biodiesel preferentially extracted butanol, minimized product inhibition, and increased production of butanol (from 11.6 to 16.5 g L⁻¹) and total solvents (from 20.0 to 29.9 g L⁻¹) by 42% and 50%, respectively. The fuel properties of the ABE-enriched biodiesel obtained from the extractive fermentations were analyzed. The key quality indicators of diesel fuel, such as the cetane number (increased from 48 to 54) and the cold filter plugging point (decreased from 5.8 to 0.2 °C), were significantly improved for the ABE-enriched biodiesel. Thus, the application of biodiesel as the extractant for ABE fermentation would increase ABE production, bypass the energy intensive butanol recovery process, and result in an ABE-enriched biodiesel with improved fuel properties.

Absorption and fluorescence spectra of heterocyclic isomers from long-range-corrected density functional theory in polarizable continuum approach.

PubMed

Kityk, Andriy V

2012-03-22

Long-range-corrected (LC) DFT/TDDFT methods may provide adequate description of ground and excited state properties; however, accuracy of such an approach depends much on a range separation (exchange screening) representing adjustable model parameter. Its relation to a size or specific of molecular systems has been explored in numerous studies, whereas the effect of solvent environment is usually ignored during the evaluation of state properties. To benchmark and assess the quality of the LC-DFT/TDDFT formalism, we report the optical absorption and fluorescence emission energies of organic heterocyclic isomers, DPIPQ and PTNA, calculated by LC-BLYP DFT/TDDFT method in the polarizable continuum (PCM) approach. The calculations are compared with the optical absorption and fluorescence spectra measured in organic solvents of different polarity. Despite a considerable structural difference, both dyes exhibit quite similar range separations being somewhat different for the optical absorption and fluorescence emission processes. Properly parametrized LC-BLYP xc-potential well reproduces basic features of the optical absorption spectra including the electronic transitions to higher excited states. The DFT/TDDFT/PCM analysis correctly predicts the solvation trends although solvatochromic shifts of the electronic transition energies appear to be evidently underestimated in most cases, especially for the fluorescence emission. Considering the discrepancy between the experiment and theory, evaluated state dipole moments and solvation corrections to the exchange screening are analyzed. The results of the present study emphasize the importance of a solvent-dependent range separation in DFT/TDDFT/PCM calculations for investigating excited state properties. © 2012 American Chemical Society

The Herschel view of GAS in Protoplanetary Systems (GASPS). First comparisons with a large grid of models

NASA Astrophysics Data System (ADS)

Pinte, C.; Woitke, P.; Ménard, F.; Duchêne, G.; Kamp, I.; Meeus, G.; Mathews, G.; Howard, C. D.; Grady, C. A.; Thi, W.-F.; Tilling, I.; Augereau, J.-C.; Dent, W. R. F.; Alacid, J. M.; Andrews, S.; Ardila, D. R.; Aresu, G.; Barrado, D.; Brittain, S.; Ciardi, D. R.; Danchi, W.; Eiroa, C.; Fedele, D.; de Gregorio-Monsalvo, I.; Heras, A.; Huelamo, N.; Krivov, A.; Lebreton, J.; Liseau, R.; Martin-Zaïdi, C.; Mendigutía, I.; Montesinos, B.; Mora, A.; Morales-Calderon, M.; Nomura, H.; Pantin, E.; Pascucci, I.; Phillips, N.; Podio, L.; Poelman, D. R.; Ramsay, S.; Riaz, B.; Rice, K.; Riviere-Marichalar, P.; Roberge, A.; Sandell, G.; Solano, E.; Vandenbussche, B.; Walker, H.; Williams, J. P.; White, G. J.; Wright, G.

2010-07-01

The Herschel GASPS key program is a survey of the gas phase of protoplanetary discs, targeting 240 objects which cover a large range of ages, spectral types, and disc properties. To interpret this large quantity of data and initiate self-consistent analyses of the gas and dust properties of protoplanetary discs, we have combined the capabilities of the radiative transfer code MCFOST with the gas thermal balance and chemistry code ProDiMo to compute a grid of ≈300 000 disc models (DENT). We present a comparison of the first Herschel/GASPS line and continuum data with the predictions from the DENT grid of models. Our objective is to test some of the main trends already identified in the DENT grid, as well as to define better empirical diagnostics to estimate the total gas mass of protoplanetary discs. Photospheric UV radiation appears to be the dominant gas-heating mechanism for Herbig stars, whereas UV excess and/or X-rays emission dominates for T Tauri stars. The DENT grid reveals the complexity in the analysis of far-IR lines and the difficulty to invert these observations into physical quantities. The combination of Herschel line observations with continuum data and/or with rotational lines in the (sub-)millimetre regime, in particular CO lines, is required for a detailed characterisation of the physical and chemical properties of circumstellar discs. Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.

Development of an efficient Procedure for Resist Wall Space Experiment

NASA Astrophysics Data System (ADS)

Matsumoto, Shouhei; Kumasaki, Saori; Higuchi, Sayoko; Kirihata, Kuniaki; Inoue, Yasue; Fujie, Miho; Soga, Kouichi; Wakabayashi, Kazuyuki; Hoson, Takayuki

The Resist Wall space experiment aims to examine the role of the cortical microtubule-plasma membrane-cell wall continuum in plant resistance to the gravitational force, thereby clarifying the mechanism of gravity resistance. For this purpose, we will cultivate Arabidopsis mutants defective in organization of cortical microtubules (tua6 ) or synthesis of membrane sterols (hmg1 ) as well as the wild type under microgravity and 1 g conditions in the European Modular Cultivation System on the International Space Station up to reproductive stage, and compare phenotypes on growth and development. We will also analyze cell wall properties and gene expression levels using collected materials. However, the amounts of materials collected will be severely limited, and we should develop an efficient procedure for this space experiment. In the present study, we examined the possibility of analyzing various parameters successively using the identical material. On orbit, plant materials will be fixed with RNAlater solution, kept at 4° C for several days and then frozen in a freezer at -20° C. We first examined whether the cell wall extensibility of inflorescence stems can be measured after RNAlater fixation. The gradient of the cell wall extensibility along inflorescence stems was detected in RNAlater-fixed materials as in methanol-killed ones. The sufficient amounts of RNA to analyze the gene expression were also obtained from the materials after measurement of the cell wall extensibility. Furthermore, the levels and composition of cell wall polysaccharides could be measured using the materials after extraction of RNA. These results show that we can analyze the physical and chemical properties of the cell wall as well as gene expression using the identical material obtained in the space experiments.

Measuring the Outflow Properties of FeLoBAL Quasars

NASA Astrophysics Data System (ADS)

Dabbieri, Collin; Choi, Hyunseop; MacInnis, Francis; Leighly, Karen; Terndrup, Donald

2018-01-01

Roughly 20 percent of the quasar population shows broad absorption lines, which are indicators of an energetic wind. Within the broad absorption line class of quasars exist FeLoBAL quasars, which show strong absorption lines from the Fe II and Fe III transitions as well as other low-ionization lines. FeLoBALs are of particular interest because they are thought to possibly be a short-lived stage in a quasar's life where it expels its shroud of gas and dust. This means the winds we see from FeLoBALs are one manifestation of galactic feedback. This idea is supported by Farrah et al. (2012) who found an anti correlation between outflow strength and contribution from star formation to the total IR luminosity of the host galaxy when examining a sample of FeLoBAL quasars. We analyze the sample of 26 FeLoBALs from Farrah et al. (2012) in order to measure the properties of their outflows, including ionization, density, column density and covering fraction. The absorption and continuum profiles of these objects are modeled using SimBAL, a program which creates synthetic spectra using a grid of Cloudy models. A Monte-Carlo method is employed to determine posterior probabilities for the physical parameters of the outflow. From these probabilities we extract the distance of the outflow, the mass outflow rate and the kinetic luminosity. We demonstrate SimBAL is capable of modeling a wide range of spectral morphologies. From the 26 objects studied we observe interesting correlations between ionization parameter, distance and density. Analysis of our sample also suggests a dearth of objects with velocity widths greater than or equal to 300 km/s at distances greater than or equal to 100 parsecs.

Strong-coupling Bose polarons out of equilibrium: Dynamical renormalization-group approach

NASA Astrophysics Data System (ADS)

Grusdt, Fabian; Seetharam, Kushal; Shchadilova, Yulia; Demler, Eugene

2018-03-01

When a mobile impurity interacts with a surrounding bath of bosons, it forms a polaron. Numerous methods have been developed to calculate how the energy and the effective mass of the polaron are renormalized by the medium for equilibrium situations. Here, we address the much less studied nonequilibrium regime and investigate how polarons form dynamically in time. To this end, we develop a time-dependent renormalization-group approach which allows calculations of all dynamical properties of the system and takes into account the effects of quantum fluctuations in the polaron cloud. We apply this method to calculate trajectories of polarons following a sudden quench of the impurity-boson interaction strength, revealing how the polaronic cloud around the impurity forms in time. Such trajectories provide additional information about the polaron's properties which are challenging to extract directly from the spectral function measured experimentally using ultracold atoms. At strong couplings, our calculations predict the appearance of trajectories where the impurity wavers back at intermediate times as a result of quantum fluctuations. Our method is applicable to a broader class of nonequilibrium problems. As a check, we also apply it to calculate the spectral function and find good agreement with experimental results. At very strong couplings, we predict that quantum fluctuations lead to the appearance of a dark continuum with strongly suppressed spectral weight at low energies. While our calculations start from an effective Fröhlich Hamiltonian describing impurities in a three-dimensional Bose-Einstein condensate, we also calculate the effects of additional terms in the Hamiltonian beyond the Fröhlich paradigm. We demonstrate that the main effect of these additional terms on the attractive side of a Feshbach resonance is to renormalize the coupling strength of the effective Fröhlich model.

Impact of postharvest dehydration process of winegrapes on mechanical and acoustic properties of the seeds and their relationship with flavanol extraction during simulated maceration.

PubMed

Río Segade, Susana; Torchio, Fabrizio; Gerbi, Vincenzo; Quijada-Morín, Natalia; García-Estévez, Ignacio; Giacosa, Simone; Escribano-Bailón, M Teresa; Rolle, Luca

2016-05-15

This study represents the first time that the extraction of phenolic compounds from the seeds is assessed from instrumental texture properties for dehydrated grapes. Nebbiolo winegrapes were postharvest dehydrated at 20°C and 41% relative humidity. During the dehydration process, sampling was performed at 15%, 30%, 45% and 60% weight loss. The extractable fraction and extractability of phenolic compounds from the seeds were determined after simulated maceration. The evolution of mechanical and acoustic attributes of intact seeds was also determined during grape dehydration to evaluate how these changes affected the extraction of phenolic compounds. The extractable content and extractability of monomeric flavanols and proanthocyanidins, as well as the galloylation percentage of flavanols, might be predicted easily and quickly from the mechanical and acoustic properties of intact seeds. This would help in decision-making on the optimal dehydration level of winegrapes and the best management of winemaking of dehydrated grapes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Free radicals quenching potential, protective properties against oxidative mediated ion toxicity and HPLC phenolic profile of a Cameroonian spice: Piper guineensis.

PubMed

Moukette Moukette, Bruno; Constant Anatole, Pieme; Nya Biapa, Cabral Prosper; Njimou, Jacques Romain; Ngogang, Jeanne Yonkeu

2015-01-01

Considerations on antioxidants derived from plants have continuously increased during this decade because of their beneficial effects on human health. In the present study we investigated the free radical scavenging properties of extracts from Piper guineense ( P. guineense ) and their inhibitory potentials against oxidative mediated ion toxicity. The free radical quenching properties of the extracts against [1,1-diphenyl-2-picrylhydrazyl (DPPH•), 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulphonic acid) (ABTS•), hydroxyl radical (HO•), nitric oxide (NO•)] radical and their antioxidant potentials by FRAP and phosphomolybdenum were determined as well as their protective properties on liver enzymes. The phenolic profile was also investigated by HPLC. The results obtained, revealed that the extracts significantly inhibited the DPPH, NO, HO and ABTS radicals in a concentration depending manner. They also showed a significant ferrous ion chelating ability through FRAP and phosphomolybdenum antioxidant potential. Their polyphenol contents varied depending on the type of extracts and the solvent used. The hydroethanolic extracts (FFH) and the ethanolic extracts (FFE) of P. guineense leaves showed the higher level of phenolic compounds respectively of 21.62 ± 0.06 mg caffeic acid/g dried extract (CAE/g DE) and 19.01 ± 0.03 CAE/g DE. The HPLC phenolic compounds profile revealed a higher quantity of Eugenol, quercetin, rutin and catechin in the stem than in the leaves. The presence of these molecules could be responsible of the protective potentials of P. guineense extracts against lipid peroxidation and SOD, catalase and peroxidase. In conclusion, P. guineense extracts demonstrated significant antioxidant property and may be used as a prospective protector against metal related toxicity.

Development and formulation of Moringa oleifera standardised leaf extract film dressing for wound healing application.

PubMed

Chin, Chai-Yee; Jalil, Juriyati; Ng, Pei Yuen; Ng, Shiow-Fern

2018-02-15

M.oleifera is a medicinal plant traditionally used for skin sores, sore throat and eye infections. Recently, the wound healing property of the leaves of M. oleifera was has been well demonstrated experimentally in both in vivo and in vitro models. However, there is a lack of research which focuses on formulating M.oleifera into a functional wound dressing. In this study, the M.oleifera leaf standardized aqueous extract with highest potency in vitro migration was formulated into a film for wound healing application. Firstly, M. oleifera leaf were extracted in various solvents (aqueous, 50%, 70% and 100% ethanolic extracts) and standardized by reference standards using UHPLC technique. The extracts were then tested for cell migration and proliferation using HDF and HEK cell lines. M. oleifera leaf aqueous extract was then incorporated into alginate-pectin (SA-PC) based film dressing. The film dressings were characterized for the physicochemical properties and the bioactives release from the M. oleifera leaf extract loaded film dressing was also investigated using Franz diffusion cells. All extracts were found to contain vicenin-2, chlorogenic acid, gallic acid, quercetin, kaempferol, rosmarinic acid and rutin. Among all M. oleifera extracts, aqueous standardized leaf extracts showed the highest human dermal fibroblast and human keratinocytes cells proliferation and migration properties. Among the film formulations, SA-PC (3% w/v) composite film dressing containing M. oleifera aqueous leaf extract was found to possess optimal physicochemical properties as wound dressing. A potentially applicable wound dressing formulated as an alginate-pectin film containing aqueous extracts of M. oleifera has been developed. The dressing would be suitable for wounds with moderate exudates. Copyright © 2017 Elsevier B.V. All rights reserved.

Finite elements of nonlinear continua.

NASA Technical Reports Server (NTRS)

Oden, J. T.

1972-01-01

The finite element method is extended to a broad class of practical nonlinear problems, treating both theory and applications from a general and unifying point of view. The thermomechanical principles of continuous media and the properties of the finite element method are outlined, and are brought together to produce discrete physical models of nonlinear continua. The mathematical properties of the models are analyzed, and the numerical solution of the equations governing the discrete models is examined. The application of the models to nonlinear problems in finite elasticity, viscoelasticity, heat conduction, and thermoviscoelasticity is discussed. Other specific topics include the topological properties of finite element models, applications to linear and nonlinear boundary value problems, convergence, continuum thermodynamics, finite elasticity, solutions to nonlinear partial differential equations, and discrete models of the nonlinear thermomechanical behavior of dissipative media.

Quasi-Continuum Reduction of Field Theories: A Route to Seamlessly Bridge Quantum and Atomistic Length-Scales with Continuum

DTIC Science & Technology

2016-04-01

AFRL-AFOSR-VA-TR-2016-0145 Quasi-continuum reduction of field theories: A route to seamlessly bridge quantum and atomistic length-scales with...field theories: A route to seamlessly bridge quantum and atomistic length-scales with continuum Principal Investigator: Vikram Gavini Department of...calculations on tens of thousands of atoms, and enable continuing efforts towards a seamless bridging of the quantum and continuum length-scales

Effect of Caesalpinia sappan L. extract on physico-chemical properties of emulsion-type pork sausage during cold storage.

PubMed

Jin, Sang-Keun; Ha, So-Ra; Choi, Jung-Seok

2015-12-01

This study was performed to investigate the effect of extract from heart wood of Caesalpinia sappan on the physico-chemical properties and to find the appropriate addition level in the emulsion-type pork sausage during cold storage. The pH of treatments with C. sappan extract was significantly lower than control and T1 during cold storage periods (P<0.05). Also, the reduction of moisture content, and the increase of cooking loss significantly occurred by the addition of 0.2% C. sappan extract. Also, the texture properties and sensory of sausages containing C. sappan extract were decreased compared to control. Inclusion of the C. sappan extract in sausages resulted in lower lightness and higher yellowness, chroma and hue values. However, the antioxidant, antimicrobial activity, and volatile basic nitrogen in the emulsion-type pork sausages with C. sappan extract showed increased quality characteristics during cold storage. In conclusion, the proper addition level of C. sappan extract was 0.1% on the processing of emulsion-type pork sausage. Copyright © 2015 Elsevier Ltd. All rights reserved.

Chemical composition and bioactivity of different oregano (Origanum vulgare) extracts and essential oil.

PubMed

Teixeira, Bárbara; Marques, António; Ramos, Cristina; Serrano, Carmo; Matos, Olívia; Neng, Nuno R; Nogueira, José M F; Saraiva, Jorge Alexandre; Nunes, Maria Leonor

2013-08-30

There is a growing interest in industry to replace synthetic chemicals by natural products with bioactive properties. Aromatic plants are excellent sources of bioactive compounds that can be extracted using several processes. As far as oregano is concerned, studies are lacking addressing the effect of extraction processes in bioactivity of extracts. This study aimed to characterise the in vitro antioxidant and antibacterial properties of oregano (Origanum vulgare) essential oil and extracts (in hot and cold water, and ethanol), and the chemical composition of its essential oil. The major components of oregano essential oil were carvacrol, β-fenchyl alcohol, thymol, and γ-terpinene. Hot water extract had the strongest antioxidant properties and the highest phenolic content. All extracts were ineffective in inhibiting the growth of the seven tested bacteria. In contrast, the essential oil inhibited the growth of all bacteria, causing greater reductions on both Listeria strains (L. monocytogenes and L. innocua). O. vulgare extracts and essential oil from Portuguese origin are strong candidates to replace synthetic chemicals used by the industry. © 2013 Society of Chemical Industry.

XANES Spectroscopic Analysis of Phosphorus Speciation in Alum-Amended Poultry Litter

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

Seiter,J.; Staats-Borda, K.; Ginder-Vogel, M.

2008-01-01

Aluminum sulfate (alum; Al2(SO4)3{center_dot}14H2O) is used as a chemical treatment of poultry litter to reduce the solubility and release of phosphate, thereby minimizing the impacts on adjacent aquatic ecosystems when poultry litter is land applied as a crop fertilizer. The objective of this study was to determine, through the use of X-ray absorption near edge structure (XANES) spectroscopy and sequential extraction, how alum amendments alter P distribution and solid-state speciation within the poultry litter system. Our results indicate that traditional sequential fractionation procedures may not account for variability in P speciation in heterogeneous animal manures. Analysis shows that NaOH-extracted Pmore » in alum amended litters is predominantly organic ({approx}80%), whereas in the control samples, >60% of NaOH-extracted P was inorganic P. Linear least squares fitting (LLSF) analysis of spectra collected of sequentially extracted litters showed that the P is present in inorganic (P sorbed on Al oxides, calcium phosphates) and organic forms (phytic acid, polyphosphates, and monoesters) in alum- and non-alum-amended poultry litter. When determining land application rates of poultry litter, all of these compounds must be considered, especially organic P. Results of the sequential extractions in conjunction with LLSF suggest that no P species is completely removed by a single extractant. Rather, there is a continuum of removal as extractant strength increases. Overall, alum-amended litters exhibited higher proportions of Al-bound P species and phytic acid, whereas untreated samples contained Ca-P minerals and organic P compounds. This study provides in situ information about P speciation in the poultry litter solid and about P availability in alum- and non-alum-treated poultry litter that will dictate P losses to ground and surface water systems.« less

Chemical characteristic and functional properties of arenga starch-taro (Colocasia esculanta L.) flour noodle with turmeric extracts addition

NASA Astrophysics Data System (ADS)

Ervika Rahayu N., H.; Ariani, Dini; Miftakhussolikhah, E., Maharani P.; Yudi, P.

2017-01-01

Arenga starch-taro (Colocasia esculanta L.) flour noodle is an alternative carbohydrate source made from 75% arenga starch and 25% taro flour, but it has a different color with commercial noodle product. The addition of natural color from turmeric may change the consumer preference and affect chemical characteristic and functional properties of noodle. This research aims to identify chemical characteristic and functional properties of arenga starch-taro flour noodle with turmeric extract addition. Extraction was performed using 5 variances of turmeric rhizome (0.06; 0.12; 0.18; 0.24; and 0.30 g (fresh weight/ml water). Then, noodle was made and chemical characteristic (proximate analysis) as well as functional properties (amylose, resistant starch, dietary fiber, antioxidant activity) were then evaluated. The result showed that addition of turmeric extract did not change protein, fat, carbohydrate, amylose, and resistant starch content significantly, while antioxidant activity was increased (23,41%) with addition of turmeric extract.

Study on chemical, bioactive and food preserving properties of Laetiporus sulphureus (Bull.: Fr.) Murr.

PubMed

Petrović, Jovana; Stojković, Dejan; Reis, Filipa S; Barros, Lillian; Glamočlija, Jasmina; Ćirić, Ana; Ferreira, Isabel C F R; Soković, Marina

2014-07-25

Laetiporus sulphureus (Bull.: Fr.) Murr. was studied to determine the nutritional value, bioactive compounds, in vitro antioxidants, and antimicrobial and antitumor activities. The studied mushroom is a rich source of carbohydrates and proteins. Mannitol and trehalose were the main free sugars. In addition, the polyunsaturated fatty acids α-, γ- and δ-tocopherols were found. Oxalic and citric acids were the most abundant organic acids; cinnamic and p-hydroxybenzoic acids were quantified in the methanolic extract and could be related to the antioxidant properties. It was the polysaccharidic extract that exhibited higher antioxidant and antimicrobial activities, indicating that the compounds present in this extract possess stronger bioactivity. Only the polysaccharidic extract revealed antiproliferative activity in human tumor cell lines. In addition, a suitable model system with chicken pâté was developed to test the antimicrobial preserving properties of L. sulphureus. The methanolic extract was used to examine in situ preserving properties against Aspergillus flavus and demonstrated excellent preserving potential.

X-ray properties of quasars

NASA Technical Reports Server (NTRS)

Ku, W. H.-M.; Helfand, D. J.; Lucy, L. B.

1980-01-01

The X-ray properties of 111 catalogued quasars have been examined with the imaging proportional counter on board the Einstein Observatory. Thirty-five of the objects, of redshift between 0.064 and 3.53, were detected as X-ray sources. The 0.5-4.5-keV X-ray properties of these quasars are correlated with their optical and radio continuum properties and with their redshifts and variability characteristics. The X-ray luminosity of quasars tends to be highest for those objects which are bright in the optical and radio regimes and which exhibit optically violent variability. These observations suggest that quasars should be divided into two classes on the basis of radio luminosities, spectra, evolution and underlying morphology and that quasars can make up a significant portion of the diffuse soft X-ray background only if the slope of the optical quasar log N-log S relation is steeper than 2 to m sub b of about 21.5.

77 FR 44653 - Continuum of Care Homeless Assistance Grant Application-Technical Submission

Federal Register 2010, 2011, 2012, 2013, 2014

2012-07-30

... DEPARTMENT OF HOUSING AND URBAN DEVELOPMENT [Docket No. FR-5603-N-50] Continuum of Care Homeless... obtain more detailed technical information not contained in the original Continuum of Care Homeless...: Continuum of Care Homeless Assistance Grant Application--Technical Submission. OMB Approval Number: 2506...

Structural characteristics of pumpkin pectin extracted by microwave heating.

PubMed

Yoo, Sang-Ho; Lee, Byeong-Hoo; Lee, Heungsook; Lee, Suyong; Bae, In Young; Lee, Hyeon Gyu; Fishman, Marshall L; Chau, Hoa K; Savary, Brett J; Hotchkiss, Arland T

2012-11-01

To improve extraction yield of pumpkin pectin, microwave heating was adopted in this study. Using hot acid extraction, pumpkin pectin yield decreased from 5.7% to 1.0% as pH increased from pH 1.0 to 2.0. At pH 2.5, no pectin was recovered from pumpkin flesh powder. After a pretreatment at pH 1.0 and 25 °C for 1 h, pumpkin powder was microwave-extracted at 120 °C for 3 min resulting in 10.5% of pectin yield. However, premicrowave treatment at 60 °C for 20 min did not improve extraction yield. When microwave heating at 80 °C for 10 min was applied after premicrowave treatment, final pectin yield increased to 11.3%. When pH was adjusted to 2.0, the yield dropped to 7.7% under the same extraction conditions. Molecular shape and properties as well as chemical composition of pumpkin pectin were significantly affected depending on extraction methods. Galacturonic acid content (51% to 58%) of pumpkin pectin was lower than that detected in commercial acid-extracted citrus pectin, while higher content of neutral sugars and acetyl esters existed in pumpkin pectin structure. Molecular weight (M(w) ) and intrinsic viscosity (η(w) ) determined for microwave-extracted pumpkin pectins were substantially lower than acid-extracted pectin, whereas polydispersity was greater. However, microwave-extracted pectin at pH 2.0 had more than 5 times greater M(w) than did the pectin extracted at pH 1.0. The η(w) of microwave-extracted pectin produced at pH 2.0 was almost twice that of other microwave-extracted pectins, which were comparable to that of acid-extracted pectin. These results indicate that extraction yield of pumpkin pectin would be improved by microwave extraction and different pectin structure and properties can be obtained compared to acid extraction. Pumpkin is a promising alternative source for pectin material. Pumpkin pectin has a unique chemical structure and physical properties, presumably providing different functional properties compared to conventional commercial pectin sources. Depending on the conditions to produce pumpkin pectin, diverse molecular structures can be obtained and utilized in various food applications. © 2012 Institute of Food Technologists®

DIFFUSE Ly{alpha} EMITTING HALOS: A GENERIC PROPERTY OF HIGH-REDSHIFT STAR-FORMING GALAXIES

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

Steidel, Charles C.; Bogosavljevic, Milan; Shapley, Alice E.

2011-08-01

Using a sample of 92 UV continuum-selected, spectroscopically identified galaxies with (z) = 2.65, all of which have been imaged in the Ly{alpha} line with extremely deep narrow-band imaging, we examine galaxy Ly{alpha} emission profiles to very faint surface brightness limits. The galaxy sample is representative of spectroscopic samples of Lyman break galaxies (LBGs) at similar redshifts in terms of apparent magnitude, UV luminosity, inferred extinction, and star formation rate and was assembled without regard to Ly{alpha} emission properties. Approximately 45% (55%) of the galaxy spectra have Ly{alpha} appearing in net absorption (emission), with {approx_equal} 20% satisfying commonly used criteriamore » for the identification of 'Ly{alpha} emitters' (LAEs; W{sub 0}(Ly{alpha}) {>=} 20 A). We use extremely deep stacks of rest-UV continuum and continuum-subtracted Ly{alpha} images to show that all sub-samples exhibit diffuse Ly{alpha} emission to radii of at least 10'' ({approx}80 physical kpc). The characteristic exponential scale lengths for Ly{alpha} line emission exceed that of the {lambda}{sub 0} = 1220 A UV continuum light by factors of {approx}5-10. The surface brightness profiles of Ly{alpha} emission are strongly suppressed relative to the UV continuum light in the inner few kpc, by amounts that are tightly correlated with the galaxies' observed spectral morphology; however, all galaxy sub-subsamples, including that of galaxies for which Ly{alpha} appears in net absorption in the spectra, exhibit qualitatively similar diffuse Ly{alpha} emission halos. Accounting for the extended Ly{alpha} emission halos, which generally would not be detected in the slit spectra of individual objects or with typical narrow-band Ly{alpha} imaging, increases the total Ly{alpha} flux (and rest equivalent width W{sub 0}(Ly{alpha})) by an average factor of {approx}5, and by a much larger factor for the 80% of LBGs not classified as LAEs. We argue that most, if not all, of the observed Ly{alpha} emission in the diffuse halos originates in the galaxy H II regions but is scattered in our direction by H I gas in the galaxy's circum-galactic medium. The overall intensity of Ly{alpha} halos, but not the surface brightness distribution, is strongly correlated with the emission observed in the central {approx}1''-more luminous halos are observed for galaxies with stronger central Ly{alpha} emission. We show that whether or not a galaxy is classified as a giant 'Ly{alpha} blob' (LAB) depends sensitively on the Ly{alpha} surface brightness threshold reached by an observation. Accounting for diffuse Ly{alpha} halos, all LBGs would be LABs if surveys were sensitive to 10 times lower Ly{alpha} surface brightness thresholds; similarly, essentially all LBGs would qualify as LAEs.« less

HYDROGEN BALMER CONTINUUM IN SOLAR FLARES DETECTED BY THE INTERFACE REGION IMAGING SPECTROGRAPH (IRIS)

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

Heinzel, P.; Kleint, L., E-mail: pheinzel@asu.cas.cz

We present a novel observation of the white light flare (WLF) continuum, which was significantly enhanced during the X1 flare on 2014 March 29 (SOL2014-03-29T17:48). Data from the Interface Region Imaging Spectrograph (IRIS) in its near-UV channel show that at the peak of the continuum enhancement, the contrast at the quasi-continuum window above 2813 Å reached 100%-200% and can be even larger closer to Mg II lines. This is fully consistent with the hydrogen recombination Balmer-continuum emission, which follows an impulsive thermal and non-thermal ionization caused by the precipitation of electron beams through the chromosphere. However, a less probable photosphericmore » continuum enhancement cannot be excluded. The light curves of the Balmer continuum have an impulsive character with a gradual fading, similar to those detected recently in the optical region on the Solar Optical Telescope on board Hinode. This observation represents a first Balmer-continuum detection from space far beyond the Balmer limit (3646 Å), eliminating seeing effects known to complicate the WLF detection. Moreover, we use a spectral window so far unexplored for flare studies, which provides the potential to study the Balmer continuum, as well as many metallic lines appearing in emission during flares. Combined with future ground-based observations of the continuum near the Balmer limit, we will be able to disentangle various scenarios of the WLF origin. IRIS observations also provide a critical quantitative measure of the energy radiated in the Balmer continuum, which constrains various models of the energy transport and deposit during flares.« less

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

DOE PAGES

Kirsch, L. E.; Bernstein, L. A.

2018-03-04

In this paper, a new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the usemore » of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Finally, several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.« less

RAINIER: A simulation tool for distributions of excited nuclear states and cascade fluctuations

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

Kirsch, L. E.; Bernstein, L. A.

In this paper, a new code has been developed named RAINIER that simulates the γ-ray decay of discrete and quasi-continuum nuclear levels for a user-specified range of energy, angular momentum, and parity including a realistic treatment of level spacing and transition width fluctuations. A similar program, DICEBOX, uses the Monte Carlo method to simulate level and width fluctuations but is restricted in its initial level population algorithm. On the other hand, modern reaction codes such as TALYS and EMPIRE populate a wide range of states in the residual nucleus prior to γ-ray decay, but do not go beyond the usemore » of deterministic functions and therefore neglect cascade fluctuations. This combination of capabilities allows RAINIER to be used to determine quasi-continuum properties through comparison with experimental data. Finally, several examples are given that demonstrate how cascade fluctuations influence experimental high-resolution γ-ray spectra from reactions that populate a wide range of initial states.« less

Odd nitrogen production by meteoroids

NASA Technical Reports Server (NTRS)

Park, C.; Menees, G. P.

1978-01-01

The process by which odd nitrogen species (atomic nitrogen and nitric oxide) are formed during atmospheric entry of meteoroids is analyzed theoretically. An ablating meteoroid is assumed to be a point source of mass with a continuum regime evolving in its wake. The amounts of odd nitrogen species, produced by high-temperature reactions of air in the continuum wake, are calculated by numerical integration of chemical rate equations. Flow properties are assumed to be uniform across the wake, and 29 reactions involving five neutral species and five singly ionized species are considered, as well as vibrational and electron temperature nonequilibrium phenomena. The results, when they are summed over the observed mass, velocity, and entry-angle distribution of meteoroids, provide odd-nitrogen-species annual global production rates as functions of altitude. The peak production of nitric oxide is found to occur at an altitude of about 85 km; atomic nitrogen production peaks at about 95 km. The total annual rate for nitric oxide is 40 million kg; for atomic nitrogen it is 170 million kg.

Properties of AGN coronae in the NuSTAR era - II. Hybrid plasma

NASA Astrophysics Data System (ADS)

Fabian, A. C.; Lohfink, A.; Belmont, R.; Malzac, J.; Coppi, P.

2017-05-01

The corona, a hot cloud of electrons close to the centre of the accretion disc, produces the hard X-ray power-law continuum commonly seen in luminous active galactic nuclei. The continuum has a high-energy turnover, typically in the range of one to several 100 keV and is suggestive of Comptonization by thermal electrons. We are studying hard X-ray spectra of AGN obtained with NuSTAR after correction for X-ray reflection and under the assumption that coronae are compact, being only a few gravitational radii in size as indicated by reflection and reverberation modelling. Compact coronae raise the possibility that the temperature is limited and indeed controlled by electron-positron pair production, as explored earlier (Paper I). Here, we examine hybrid plasmas in which a mixture of thermal and non-thermal particles is present. Pair production from the non-thermal component reduces the temperature leading to a wider temperature range more consistent with observations.

Parametric excitation of multiple resonant radiations from localized wavepackets

PubMed Central

Conforti, Matteo; Trillo, Stefano; Mussot, Arnaud; Kudlinski, Alexandre

2015-01-01

Fundamental physical phenomena such as laser-induced ionization, driven quantum tunneling, Faraday waves, Bogoliubov quasiparticle excitations, and the control of new states of matter rely on time-periodic driving of the system. A remarkable property of such driving is that it can induce the localized (bound) states to resonantly couple to the continuum. Therefore experiments that allow for enlightening and controlling the mechanisms underlying such coupling are of paramount importance. We implement such an experiment in a special optical fiber characterized by a dispersion oscillating along the propagation coordinate, which mimics “time”. The quasi-momentum associated with such periodic perturbation is responsible for the efficient coupling of energy from the localized wave-packets (solitons in anomalous dispersion and shock fronts in normal dispersion) sustained by the fiber nonlinearity, into free-running linear dispersive waves (continuum) at multiple resonant frequencies. Remarkably, the observed resonances can be explained by means of a unified approach, regardless of the fact that the localized state is a soliton-like pulse or a shock front. PMID:25801054

A musculo-mechanical model of esophageal transport based on an immersed boundary-finite element approach

NASA Astrophysics Data System (ADS)

Kou, Wenjun; Griffith, Boyce E.; Pandolfino, John E.; Kahrilas, Peter J.; Patankar, Neelesh A.

2015-11-01

This work extends a fiber-based immersed boundary (IB) model of esophageal transport by incorporating a continuum model of the deformable esophageal wall. The continuum-based esophagus model adopts finite element approach that is capable of describing more complex and realistic material properties and geometries. The leakage from mismatch between Lagrangian and Eulerian meshes resulting from large deformations of the esophageal wall is avoided by careful choice of interaction points. The esophagus model, which is described as a multi-layered, fiber-reinforced nonlinear elastic material, is coupled to bolus and muscle-activation models using the IB approach to form the esophageal transport model. Cases of esophageal transport with different esophagus models are studied. Results on the transport characteristics, including pressure field and esophageal wall kinematics and stress, are analyzed and compared. Support from NIH grant R01 DK56033 and R01 DK079902 is gratefully acknowledged. BEG is supported by NSF award ACI 1460334.

Cosmic reionization on computers. Ultraviolet continuum slopes and dust opacities in high redshift galaxies

DOE PAGES

Khakhaleva-Li, Zimu; Gnedin, Nickolay Y.

2016-03-30

In this study, we compare the properties of stellar populations of model galaxies from the Cosmic Reionization On Computers (CROC) project with the exiting UV and IR data. Since CROC simulations do not follow cosmic dust directly, we adopt two variants of the dust-follows-metals ansatz to populate model galaxies with dust. Using the dust radiative transfer code Hyperion, we compute synthetic stellar spectra, UV continuum slopes, and IR fluxes for simulated galaxies. We find that the simulation results generally match observational measurements, but, perhaps, not in full detail. The differences seem to indicate that our adopted dust-follows-metals ansatzes are notmore » fully sufficient. While the discrepancies with the exiting data are marginal, the future JWST data will be of much higher precision, rendering highly significant any tentative difference between theory and observations. It is, therefore, likely, that in order to fully utilize the precision of JWST observations, fully dynamical modeling of dust formation, evolution, and destruction may be required.« less

Polarization properties of bow shock sources close to the Galactic centre

NASA Astrophysics Data System (ADS)

Zajaček, M.; Karas, V.; Hosseini, E.; Eckart, A.; Shahzamanian, B.; Valencia-S., M.; Peissker, F.; Busch, G.; Britzen, S.; Zensus, J. A.

2017-12-01

Several bow shock sources were detected and resolved in the innermost parsec from the supermassive black hole in the Galactic centre. They show several distinct characteristics, including an excess towards mid-infrared wavelengths and a significant linear polarization as well as a characteristic prolonged bow-shock shape. These features give hints about the presence of a non-spherical dusty envelope generated by the bow shock. The Dusty S-cluster Object (also denoted as G2) shows similar characteristics and it is a candidate for the closest bow shock with a detected proper motion in the vicinity of Sgr A*, with the pericentre distance of only approx. 2000 Schwarzschild radii. However, in the continuum emission it is a point-like source and hence we use Monte Carlo radiative transfer modeling to reveal its possible three-dimensional structure. Alongside the spectral energy distribution, the detection of polarized continuum emission in the near-infrared Ks-band (2.2 micrometers) puts additional constraints on the geometry of the source.

Electric transport through circular graphene quantum dots: Presence of disorder

NASA Astrophysics Data System (ADS)

Pal, G.; Apel, W.; Schweitzer, L.

2011-08-01

The electronic states of an electrostatically confined cylindrical graphene quantum dot and the electric transport through this device are studied theoretically within the continuum Dirac-equation approximation and compared with numerical results obtained from a tight-binding lattice description. A spectral gap, which may originate from strain effects, additional adsorbed atoms, or substrate-induced sublattice-symmetry breaking, allows for bound and scattering states. As long as the diameter of the dot is much larger than the lattice constant, the results of the continuum and the lattice model are in very good agreement. We also investigate the influence of a sloping dot-potential step, of on-site disorder along the sample edges, of uncorrelated short-range disorder potentials in the bulk, and of random magnetic fluxes that mimic ripple disorder. The quantum dot's spectral and transport properties depend crucially on the specific type of disorder. In general, the peaks in the density of bound states are broadened but remain sharp only in the case of edge disorder.

Biocybrid systems and the re-engineering of life

NASA Astrophysics Data System (ADS)

Domingues, Diana; Ferreira da Rocha, Adson; Hamdan, Camila; Augusto, Leci; Miosso, Cristiano Jacques

2011-03-01

The reengineering of life expanded by perceptual experiences in the sense of presence in Virtual Reality and Augmented Reality is the theme of our investigation in collaborative practices confirming the artistś creativity close to the inventivity of scientists and mutual capacity for the generation of biocybrid systems. We consider the enactive bodily interfaces for human existence being co-located in the continuum and symbiotic zone between body and flesh - cyberspace and data - and the hybrid properties of physical world. That continuum generates a biocybrid zone (Bio+cyber+hybrid) and the life is reinvented. Results reaffirm the creative reality of coupled body and mutual influences with environment information, enhancing James Gibson's ecological perception theory. The ecosystem life in its dynamical relations between human, animal, plants, landscapes, urban life and objects, bring questions and challenges for artworks and the reengineering of life discussed in our artworks in technoscience. Finally, we describe an implementation in which the immersion experience is enhanced by the datavisualization of biological audio signals and by using wearable miniaturized devices for biofeedback.

An algorithm for continuum modeling of rocks with multiple embedded nonlinearly-compliant joints [Continuum modeling of elasto-plastic media with multiple embedded nonlinearly-compliant joints

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

Hurley, R. C.; Vorobiev, O. Y.; Ezzedine, S. M.

Here, we present a numerical method for modeling the mechanical effects of nonlinearly-compliant joints in elasto-plastic media. The method uses a series of strain-rate and stress update algorithms to determine joint closure, slip, and solid stress within computational cells containing multiple “embedded” joints. This work facilitates efficient modeling of nonlinear wave propagation in large spatial domains containing a large number of joints that affect bulk mechanical properties. We implement the method within the massively parallel Lagrangian code GEODYN-L and provide verification and examples. We highlight the ability of our algorithms to capture joint interactions and multiple weakness planes within individualmore » computational cells, as well as its computational efficiency. We also discuss the motivation for developing the proposed technique: to simulate large-scale wave propagation during the Source Physics Experiments (SPE), a series of underground explosions conducted at the Nevada National Security Site (NNSS).« less

An algorithm for continuum modeling of rocks with multiple embedded nonlinearly-compliant joints [Continuum modeling of elasto-plastic media with multiple embedded nonlinearly-compliant joints

DOE PAGES

Hurley, R. C.; Vorobiev, O. Y.; Ezzedine, S. M.

2017-04-06

Here, we present a numerical method for modeling the mechanical effects of nonlinearly-compliant joints in elasto-plastic media. The method uses a series of strain-rate and stress update algorithms to determine joint closure, slip, and solid stress within computational cells containing multiple “embedded” joints. This work facilitates efficient modeling of nonlinear wave propagation in large spatial domains containing a large number of joints that affect bulk mechanical properties. We implement the method within the massively parallel Lagrangian code GEODYN-L and provide verification and examples. We highlight the ability of our algorithms to capture joint interactions and multiple weakness planes within individualmore » computational cells, as well as its computational efficiency. We also discuss the motivation for developing the proposed technique: to simulate large-scale wave propagation during the Source Physics Experiments (SPE), a series of underground explosions conducted at the Nevada National Security Site (NNSS).« less

Cosmic reionization on computers. Ultraviolet continuum slopes and dust opacities in high redshift galaxies

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

Khakhaleva-Li, Zimu; Gnedin, Nickolay Y.

In this study, we compare the properties of stellar populations of model galaxies from the Cosmic Reionization On Computers (CROC) project with the exiting UV and IR data. Since CROC simulations do not follow cosmic dust directly, we adopt two variants of the dust-follows-metals ansatz to populate model galaxies with dust. Using the dust radiative transfer code Hyperion, we compute synthetic stellar spectra, UV continuum slopes, and IR fluxes for simulated galaxies. We find that the simulation results generally match observational measurements, but, perhaps, not in full detail. The differences seem to indicate that our adopted dust-follows-metals ansatzes are notmore » fully sufficient. While the discrepancies with the exiting data are marginal, the future JWST data will be of much higher precision, rendering highly significant any tentative difference between theory and observations. It is, therefore, likely, that in order to fully utilize the precision of JWST observations, fully dynamical modeling of dust formation, evolution, and destruction may be required.« less

Implementation of an anomalous radial transport model for continuum kinetic edge codes

NASA Astrophysics Data System (ADS)

Bodi, K.; Krasheninnikov, S. I.; Cohen, R. H.; Rognlien, T. D.

2007-11-01

Radial plasma transport in magnetic fusion devices is often dominated by plasma turbulence compared to neoclassical collisional transport. Continuum kinetic edge codes [such as the (2d,2v) transport version of TEMPEST and also EGK] compute the collisional transport directly, but there is a need to model the anomalous transport from turbulence for long-time transport simulations. Such a model is presented and results are shown for its implementation in the TEMPEST gyrokinetic edge code. The model includes velocity-dependent convection and diffusion coefficients expressed as a Hermite polynominals in velocity. The specification of the Hermite coefficients can be set, e.g., by specifying the ratio of particle and energy transport as in fluid transport codes. The anomalous transport terms preserve the property of no particle flux into unphysical regions of velocity space. TEMPEST simulations are presented showing the separate control of particle and energy anomalous transport, and comparisons are made with neoclassical transport also included.

Physicochemical and phytochemical properties of cold and hot water extraction from Hibiscus sabdariffa.

PubMed

Ramirez-Rodrigues, Milena M; Plaza, Maria L; Azeredo, Alberto; Balaban, Murat O; Marshall, Maurice R

2011-04-01

Hibiscus cold (25 °C) and hot (90 °C) water extracts were prepared in various time-temperature combinations to determine equivalent extraction conditions regarding their physicochemical and phytochemical properties. Equivalent anthocyanins concentration was obtained at 25 °C for 240 min and 90 °C for 16 min. Total phenolics were better extracted with hot water that also resulted in a higher antioxidant capacity in these extracts. Similar polyphenolic profiles were observed between fresh and dried hibiscus extracts. Hibiscus acid and 2 derivatives were found in all extracts. Hydroxybenzoic acids, caffeoylquinic acids, flavonols, and anthocyanins constituted the polyphenolic compounds identified in hibiscus extracts. Two major anthocyanins were found in both cold and hot extracts: delphynidin-3-sambubioside and cyanidin-3-sambubioside. In general, both cold and hot extractions yielded similar phytochemical properties; however, under cold extraction, color degradation was significantly lower and extraction times were 15-fold longer. Hibiscus beverages are prepared from fresh or dried calyces by a hot extraction and pasteurized, which can change organoleptic, nutritional, and color attributes. Nonthermal technologies such as dense phase carbon dioxide may maintain their fresh-like color, flavor, and nutrients. This research compares the physicochemical and phytochemical changes resulting from a cold and hot extraction of fresh and dried hibiscus calyces and adds to the knowledge of work done on color, quality attributes, and antioxidant capacity of unique tropical products. In addition, the research shows how these changes could lead to alternative nonthermal processes for hibiscus.

Ameliorative effect of alkaloid extract of Cyclea peltata (Poir.) Hook. f. & Thoms. roots (ACP) on APAP/CCl4 induced liver toxicity in Wistar rats and in vitro free radical scavenging property.

PubMed

Shine, Varghese Jancy; Latha, Panikamparambil Gopalakrishnan; Suja, Somasekharan Nair Rajam; Anuja, Gangadharan Indira; Raj, Gopan; Rajasekharan, Sreedharan Nair

2014-02-01

To evaluate the hepatoprotective and antioxidant properties of alkaloid extract of Cyclea peltata (C. peltata) against paracetamol/carbon tetra chloride induced liver damage in Wistar rats. In vivo paracetamol/carbon tetrachloride induced liver damage in Wistar rats, in vitro free radical scavenging studies, HPTLC estimation of tetrandrine and direct analysis in real time- mass spectrometry of alkaloid extract of C. peltata were used for the validation. The results showed that pretreatment with alkaloid extract of C. peltata caused significant reduction of serum glutamate pyruvate transaminase, serum glutamate oxaloacetate transaminase, serum alkaline phosphatase, serum cholesterol, liver malondialdehyde levels. The reduced glutathione, catalase, superoxide dismutase levels in liver were increased with alkaloid extract of C. peltata treatment. These results were almost comparable to silymarin and normal control. Histopathological studies also substantiated the biochemical findings. The in vitro hydroxyl, superoxide and DPPH scavenging study of alkaloid extract of C. peltata showed significant free radical scavenging property. The hepatoprotective property of alkaloid extract of C. peltata against paracetamol/carbon tetrachloride may be due the synergistic action of alkaloids especially tetrandrine, fangchinoline through free radical scavenging and thus preventing oxidative stress.

Vulnerable Atherosclerotic Plaque Elasticity Reconstruction Based on a Segmentation-Driven Optimization Procedure Using Strain Measurements: Theoretical Framework

PubMed Central

Le Floc’h, Simon; Tracqui, Philippe; Finet, Gérard; Gharib, Ahmed M.; Maurice, Roch L.; Cloutier, Guy; Pettigrew, Roderic I.

2016-01-01

It is now recognized that prediction of the vulnerable coronary plaque rupture requires not only an accurate quantification of fibrous cap thickness and necrotic core morphology but also a precise knowledge of the mechanical properties of plaque components. Indeed, such knowledge would allow a precise evaluation of the peak cap-stress amplitude, which is known to be a good biomechanical predictor of plaque rupture. Several studies have been performed to reconstruct a Young’s modulus map from strain elastograms. It seems that the main issue for improving such methods does not rely on the optimization algorithm itself, but rather on preconditioning requiring the best estimation of the plaque components’ contours. The present theoretical study was therefore designed to develop: 1) a preconditioning model to extract the plaque morphology in order to initiate the optimization process, and 2) an approach combining a dynamic segmentation method with an optimization procedure to highlight the modulogram of the atherosclerotic plaque. This methodology, based on the continuum mechanics theory prescribing the strain field, was successfully applied to seven intravascular ultrasound coronary lesion morphologies. The reconstructed cap thickness, necrotic core area, calcium area, and the Young’s moduli of the calcium, necrotic core, and fibrosis were obtained with mean relative errors of 12%, 4% and 1%, 43%, 32%, and 2%, respectively. PMID:19164080

Mixing and reactions in multiphase flow through porous media

NASA Astrophysics Data System (ADS)

Jimenez-Martinez, J.; Le Borgne, T.; Meheust, Y.; Porter, M. L.; De Anna, P.; Hyman, J.; Tabuteau, H.; Turuban, R.; Carey, J. W.; Viswanathan, H. S.

2016-12-01

The understanding and quantification of flow and transport processes in multiphase systems remains a grand scientific and engineering challenge in natural and industrial systems (e.g., soils and vadose zone, CO2 sequestration, unconventional oil and gas extraction, enhanced oil recovery). Beyond the kinetic of the chemical reactions, mixing processes in porous media play a key role in controlling both fluid-fluid and fluid-solid reactions. However, conventional continuum-scale models and theories oversimplify and/or ignore many important pore-scale processes. Multiphase flows, with the creation of highly heterogeneous fluid velocity fields (i.e., low velocities regions or stagnation zones, and high velocity regions or preferential paths), makes conservative and reactive transport more complex. We present recent multi-scale experimental developments and theoretical approaches to quantify transport, mixing, and reaction and their coupling with multiphase flows. We discuss our main findings: i) the sustained concentration gradients and enhanced reactivity in a two-phase system for a continuous injection, and the comparison with a pulse line injection; ii) the enhanced mixing by a third mobile-immiscible phase; and iii) the role that capillary forces play in the localization of the fluid-solid reactions. These experimental results are for highly-idealized geometries, however, the proposed models are related to basic porous media and unsaturated flow properties, and could be tested on more complex systems.

Geometrical influence of a deposited particle on the performance of bridged carbon nanotube-based mass detectors

NASA Astrophysics Data System (ADS)

Ali-Akbari, H. R.; Ceballes, S.; Abdelkefi, A.

2017-10-01

A nonlocal continuum-based model is derived to simulate the dynamic behavior of bridged carbon nanotube-based nano-scale mass detectors. The carbon nanotube (CNT) is modeled as an elastic Euler-Bernoulli beam considering von-Kármán type geometric nonlinearity. In order to achieve better accuracy in characterization of the CNTs, the geometrical properties of an attached nano-scale particle are introduced into the model by its moment of inertia with respect to the central axis of the beam. The inter-atomic long-range interactions within the structure of the CNT are incorporated into the model using Eringen's nonlocal elastic field theory. In this model, the mass can be deposited along an arbitrary length of the CNT. After deriving the full nonlinear equations of motion, the natural frequencies and corresponding mode shapes are extracted based on a linear eigenvalue problem analysis. The results show that the geometry of the attached particle has a significant impact on the dynamic behavior of the CNT-based mechanical resonator, especially, for those with small aspect ratios. The developed model and analysis are beneficial for nano-scale mass identification when a CNT-based mechanical resonator is utilized as a small-scale bio-mass sensor and the deposited particles are those, such as proteins, enzymes, cancer cells, DNA and other nano-scale biological objects with different and complex shapes.

Viscous constitutive relations of solid-liquid composites in terms of grain boundary contiguity: 1. Grain boundary diffusion control model

NASA Astrophysics Data System (ADS)

Takei, Yasuko; Holtzman, Benjamin K.

2009-06-01

Viscous constitutive relations of partially molten rocks deforming in the regime of grain boundary (GB) diffusion creep are derived theoretically on the basis of microstructural processes at the grain scale. The viscous constitutive relation developed in this study is based on contiguity as an internal state variable, which enables us to take into account the detailed effects of grain-scale melt distribution observed in experiments. Compared to the elasticities derived previously for the same microstructural model, the viscosities are much more sensitive to the presence of melt and variations in contiguity. As explored in this series of three companion papers, this "contiguity" model predicts that a very small amount of melt (ϕ < 0.01) significantly reduces the bulk and shear viscosities. Furthermore, a large anisotropy in viscosity is produced by anisotropy in contiguity, which occurs in deforming partially molten rocks. These results have important implications for deformation and melt extraction at small melt fractions, as well as for shear-induced melt segregation. The viscous and elastic constitutive relations derived in terms of contiguity bridge microscopic grain-scale and macroscopic continuum properties. These constitutive relations are essential for investigating melt migration dynamics in a forward sense on the basis of the basic equations of two-phase dynamics and in an inverse sense on the basis of seismological observations.

Profile and Functional Properties of Seed Proteins from Six Pea (Pisum sativum) Genotypes

PubMed Central

Barac, Miroljub; Cabrilo, Slavica; Pesic, Mirjana; Stanojevic, Sladjana; Zilic, Sladjana; Macej, Ognjen; Ristic, Nikola

2010-01-01

Extractability, extractable protein compositions, technological-functional properties of pea (Pisum sativum) proteins from six genotypes grown in Serbia were investigated. Also, the relationship between these characteristics was presented. Investigated genotypes showed significant differences in storage protein content, composition and extractability. The ratio of vicilin:legumin concentrations, as well as the ratio of vicilin + convicilin: Legumin concentrations were positively correlated with extractability. Our data suggest that the higher level of vicilin and/or a lower level of legumin have a positive influence on protein extractability. The emulsion activity index (EAI) was strongly and positively correlated with the solubility, while no significant correlation was found between emulsion stability (ESI) and solubility, nor between foaming properties and solubility. No association was evident between ESI and EAI. A moderate positive correlation between emulsion stability and foam capacity was observed. Proteins from the investigated genotypes expressed significantly different emulsifying properties and foam capacity at different pH values, whereas low foam stability was detected. It appears that genotype has considerable influence on content, composition and technological-functional properties of pea bean proteins. This fact can be very useful for food scientists in efforts to improve the quality of peas and pea protein products. PMID:21614186

Profile and functional properties of seed proteins from six pea (Pisum sativum) genotypes.

PubMed

Barac, Miroljub; Cabrilo, Slavica; Pesic, Mirjana; Stanojevic, Sladjana; Zilic, Sladjana; Macej, Ognjen; Ristic, Nikola

2010-01-01

Extractability, extractable protein compositions, technological-functional properties of pea (Pisum sativum) proteins from six genotypes grown in Serbia were investigated. Also, the relationship between these characteristics was presented. Investigated genotypes showed significant differences in storage protein content, composition and extractability. The ratio of vicilin:legumin concentrations, as well as the ratio of vicilin + convicilin: Legumin concentrations were positively correlated with extractability. Our data suggest that the higher level of vicilin and/or a lower level of legumin have a positive influence on protein extractability. The emulsion activity index (EAI) was strongly and positively correlated with the solubility, while no significant correlation was found between emulsion stability (ESI) and solubility, nor between foaming properties and solubility. No association was evident between ESI and EAI. A moderate positive correlation between emulsion stability and foam capacity was observed. Proteins from the investigated genotypes expressed significantly different emulsifying properties and foam capacity at different pH values, whereas low foam stability was detected. It appears that genotype has considerable influence on content, composition and technological-functional properties of pea bean proteins. This fact can be very useful for food scientists in efforts to improve the quality of peas and pea protein products.

Reactive decontamination of absorbing thin film polymer coatings: model development and parameter determination

NASA Astrophysics Data System (ADS)

Varady, Mark; Mantooth, Brent; Pearl, Thomas; Willis, Matthew

2014-03-01

A continuum model of reactive decontamination in absorbing polymeric thin film substrates exposed to the chemical warfare agent O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (known as VX) was developed to assess the performance of various decontaminants. Experiments were performed in conjunction with an inverse analysis method to obtain the necessary model parameters. The experiments involved contaminating a substrate with a fixed VX exposure, applying a decontaminant, followed by a time-resolved, liquid phase extraction of the absorbing substrate to measure the residual contaminant by chromatography. Decontamination model parameters were uniquely determined using the Levenberg-Marquardt nonlinear least squares fitting technique to best fit the experimental time evolution of extracted mass. The model was implemented numerically in both a 2D axisymmetric finite element program and a 1D finite difference code, and it was found that the more computationally efficient 1D implementation was sufficiently accurate. The resulting decontamination model provides an accurate quantification of contaminant concentration profile in the material, which is necessary to assess exposure hazards.

Entanglement entropy in (3 + 1)-d free U(1) gauge theory

NASA Astrophysics Data System (ADS)

Soni, Ronak M.; Trivedi, Sandip P.

2017-02-01

We consider the entanglement entropy for a free U(1) theory in 3+1 dimensions in the extended Hilbert space definition. By taking the continuum limit carefully we obtain a replica trick path integral which calculates this entanglement entropy. The path integral is gauge invariant, with a gauge fixing delta function accompanied by a Faddeev -Popov determinant. For a spherical region it follows that the result for the logarithmic term in the entanglement, which is universal, is given by the a anomaly coefficient. We also consider the extractable part of the entanglement, which corresponds to the number of Bell pairs which can be obtained from entanglement distillation or dilution. For a spherical region we show that the coefficient of the logarithmic term for the extractable part is different from the extended Hilbert space result. We argue that the two results will differ in general, and this difference is accounted for by a massless scalar living on the boundary of the region of interest.

Numerical method based on transfer function for eliminating water vapor noise from terahertz spectra.

PubMed

Huang, Y; Sun, P; Zhang, Z; Jin, C

2017-07-10

Water vapor noise in the air affects the accuracy of optical parameters extracted from terahertz (THz) time-domain spectroscopy. In this paper, a numerical method was proposed to eliminate water vapor noise from the THz spectra. According to the Van Vleck-Weisskopf function and the linear absorption spectrum of water molecules in the HITRAN database, we simulated the water vapor absorption spectrum and real refractive index spectrum with a particular line width. The continuum effect of water vapor molecules was also considered. Theoretical transfer function of a different humidity was constructed through the theoretical calculation of the water vapor absorption coefficient and the real refractive index. The THz signal of the Lacidipine sample containing water vapor background noise in the continuous frequency domain of 0.5-1.8 THz was denoised by use of the method. The results show that the optical parameters extracted from the denoised signal are closer to the optical parameters in the dry nitrogen environment.

Bioactive phytochemicals in wheat: Extraction, analysis, processing, and functional properties

USDA-ARS?s Scientific Manuscript database

Whole wheat provides a rich source of bioactive phytochemicals namely, phenolic acids, carotenoids, tocopherols, alkylresorcinols, arabinoxylans, benzoxazinoids, phytosterols, and lignans. This review provides information on the distribution, extractability, analysis, and nutraceutical properties of...

Comparison of Enzymatic and Ultrasonic Extraction of Albumin from Defatted Pumpkin (Cucurbita pepo)
Seed Powder

PubMed Central

Tu, Gia Loi; Bui, Thi Hoang Nga; Tran, Thi Thu Tra; Ton, Nu Minh Nguyet

2015-01-01

Summary In this study, ultrasound- and enzyme-assisted extractions of albumin (water-soluble protein group) from defatted pumpkin (Cucurbita pepo) seed powder were compared. Both advanced extraction techniques strongly increased the albumin yield in comparison with conventional extraction. The extraction rate was two times faster in the ultrasonic extraction than in the enzymatic extraction. However, the maximum albumin yield was 16% higher when using enzymatic extraction. Functional properties of the pumpkin seed albumin concentrates obtained using the enzymatic, ultrasonic and conventional methods were then evaluated. Use of hydrolase for degradation of cell wall of the plant material did not change the functional properties of the albumin concentrate in comparison with the conventional extraction. The ultrasonic extraction enhanced water-holding, oil-holding and emulsifying capacities of the pumpkin seed albumin concentrate, but slightly reduced the foaming capacity, and emulsion and foam stability. PMID:27904383

Comparison of Enzymatic and Ultrasonic Extraction of Albumin from Defatted Pumpkin (Cucurbita pepo)
Seed Powder.

PubMed

Tu, Gia Loi; Bui, Thi Hoang Nga; Tran, Thi Thu Tra; Ton, Nu Minh Nguyet; Man Le, Van Viet

2015-12-01

In this study, ultrasound- and enzyme-assisted extractions of albumin (water-soluble protein group) from defatted pumpkin ( Cucurbita pepo ) seed powder were compared. Both advanced extraction techniques strongly increased the albumin yield in comparison with conventional extraction. The extraction rate was two times faster in the ultrasonic extraction than in the enzymatic extraction. However, the maximum albumin yield was 16% higher when using enzymatic extraction. Functional properties of the pumpkin seed albumin concentrates obtained using the enzymatic, ultrasonic and conventional methods were then evaluated. Use of hydrolase for degradation of cell wall of the plant material did not change the functional properties of the albumin concentrate in comparison with the conventional extraction. The ultrasonic extraction enhanced water-holding, oil-holding and emulsifying capacities of the pumpkin seed albumin concentrate, but slightly reduced the foaming capacity, and emulsion and foam stability.

Anxiolytic property of hydro-alcohol extract of Lactuca sativa and its effect on behavioral activities of mice.

PubMed

Harsha, Singapura Nagesh; Anilakumar, Kandangath Raghavan

2013-01-01

Lactuca sativa, belonging to the Asteraceae family, is a leafy vegetable known for its medicinal properties. This study aimed to understand the mechanism of Lactuca sativa extract with respect to pharmacological action.We investigated the anxiolytic effects of hydro-alcoholic extract of leaves of Lactuca sativa on mice. The behavioral tests performed on mice models to assess anti-anxiety properties were: open field test (OFT), elevated plus maze test (EPM), elevated T maze test, and marble burying test. Increased locomotor activity and time spent in the "open-arm" were observed in extract fed group. Malondialdehyde (MDA) and nitrite levels were decreased, catalase and glutathione levels were increased in Lactuca sativa treated mice. The data obtained in the present study suggests that the extract of Lactuca sativa can afford significant protection against anxiolytic activity.