Coherent lepton pair production in hadronic heavy ion collisions

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

Zha, W.; Ruan, L.; Tang, Z.

Recently, significant enhancements of e +e - pair production at very low transverse momentum (p T < 0.15 GeV/c) were observed by the STAR collaboration in peripheral hadronic A+A collisions. This excesses can not be described by the QGP thermal radiation and Rho in-medium broadening calculations. This is a sign of coherent photon-photon interactions, which were conventionally studied only in ultra-peripheral collisions. Here in this article, we present calculations of lepton pair (e +e - and μ +μ -) production from coherent photon-photon interactions in hadronic A+A collisions at RHIC and LHC energies within the STAR and ALICE acceptance.

Coherent lepton pair production in hadronic heavy ion collisions

DOE PAGES

Zha, W.; Ruan, L.; Tang, Z.; ...

2018-04-06

Recently, significant enhancements of e +e - pair production at very low transverse momentum (p T < 0.15 GeV/c) were observed by the STAR collaboration in peripheral hadronic A+A collisions. This excesses can not be described by the QGP thermal radiation and Rho in-medium broadening calculations. This is a sign of coherent photon-photon interactions, which were conventionally studied only in ultra-peripheral collisions. Here in this article, we present calculations of lepton pair (e +e - and μ +μ -) production from coherent photon-photon interactions in hadronic A+A collisions at RHIC and LHC energies within the STAR and ALICE acceptance.

Constraining in-medium nucleon-nucleon interactions via nucleus-nucleus reactions

NASA Astrophysics Data System (ADS)

Sammarruca, Francesca; White, Larz

2010-11-01

The nuclear equation of state is a broadly useful tool. Besides being the main input of stellar structure calculations, it allows a direct connection to the physics of nuclei. For instance, an energy functional (such as a mass formula), together with the energy/particle in nuclear matter, can be used to predict nuclear energies and radii [1]. The single-particle properties are also a key point to link infinite nuclear matter and actual nuclei. The parameters of the single-particle potential, in particular the effective mass, enter the calculations of, for instance, in-medium effective cross sections. From the well-known Glauber reaction theory, the total nucleus-nucleus reaction cross section is expressed in terms of the nuclear transparency, which, in turn, depends on the overlap of the nuclear density distributions and the elementary nucleon-nucleon (NN) cross sections. We explore the sensitivity of the reaction calculation to medium modifications of the NN cross sections to estimate the likelihood of constraining the latter through nuclear reactions. Ultimately, we wish to incorporate isospin asymmetry in the reaction model, having in mind connections with rare isotopes. [1] F. Sammarruca, arXiv:1002.00146 [nucl-th]; International Journal of Modern Physics, in press.

ϕ Meson Measurements at RHIC with the PHENIX Detector

NASA Astrophysics Data System (ADS)

Sarsour, Murad

2018-02-01

The measurement of ϕ mesons provides key information on the phase of the hot and dense medium created in the relativistic heavy ion collisions. It has a relatively small hadronic interaction cross section and is sensitive to the increase of strangeness (strangeness enhancement), a phenomenon associated with soft particles in bulk matter. Measurements in the dilepton channels are especially interesting since leptons interact only electromagnetically, thus carrying the information from their production phase directly to the detector. Measurements in different nucleus-nucleus collisions allow us to perform a systematic study of the nuclear medium effects on ϕ meson production. The PHENIX detector provides the capabilities to measure the ϕ meson production in a wide range of transverse momentum and rapidity to study these effects. In this proceeding, we present measurements of the ϕ mesons in a variety of collision systems at = 200 GeV. In case of small systems, the data are compared with AMPT calculations to study the various cold nuclear medium effects involved in ϕ meson production.

A new Monte Carlo code for light transport in biological tissue.

PubMed

Torres-García, Eugenio; Oros-Pantoja, Rigoberto; Aranda-Lara, Liliana; Vieyra-Reyes, Patricia

2018-04-01

The aim of this work was to develop an event-by-event Monte Carlo code for light transport (called MCLTmx) to identify and quantify ballistic, diffuse, and absorbed photons, as well as their interaction coordinates inside the biological tissue. The mean free path length was computed between two interactions for scattering or absorption processes, and if necessary scatter angles were calculated, until the photon disappeared or went out of region of interest. A three-layer array (air-tissue-air) was used, forming a semi-infinite sandwich. The light source was placed at (0,0,0), emitting towards (0,0,1). The input data were: refractive indices, target thickness (0.02, 0.05, 0.1, 0.5, and 1 cm), number of particle histories, and λ from which the code calculated: anisotropy, scattering, and absorption coefficients. Validation presents differences less than 0.1% compared with that reported in the literature. The MCLTmx code discriminates between ballistic and diffuse photons, and inside of biological tissue, it calculates: specular reflection, diffuse reflection, ballistics transmission, diffuse transmission and absorption, and all parameters dependent on wavelength and thickness. The MCLTmx code can be useful for light transport inside any medium by changing the parameters that describe the new medium: anisotropy, dispersion and attenuation coefficients, and refractive indices for specific wavelength.

Rate Constants for Fine-Structure Excitations in O - H Collisions with Error Bars Obtained by Machine Learning

NASA Astrophysics Data System (ADS)

Vieira, Daniel; Krems, Roman

2017-04-01

Fine-structure transitions in collisions of O(3Pj) with atomic hydrogen are an important cooling mechanism in the interstellar medium; knowledge of the rate coefficients for these transitions has a wide range of astrophysical applications. The accuracy of the theoretical calculation is limited by inaccuracy in the ab initio interaction potentials used in the coupled-channel quantum scattering calculations from which the rate coefficients can be obtained. In this work we use the latest ab initio results for the O(3Pj) + H interaction potentials to improve on previous calculations of the rate coefficients. We further present a machine-learning technique based on Gaussian Process regression to determine the sensitivity of the rate coefficients to variations of the underlying adiabatic interaction potentials. To account for the inaccuracy inherent in the ab initio calculations we compute error bars for the rate coefficients corresponding to 20% variation in each of the interaction potentials. We obtain these error bars by fitting a Gaussian Process model to a data set of potential curves and rate constants. We use the fitted model to do sensitivity analysis, determining the relative importance of individual adiabatic potential curves to a given fine-structure transition. NSERC.

Effects of medium on nuclear properties in multifragmentation

NASA Astrophysics Data System (ADS)

De, J. N.; Samaddar, S. K.; Viñas, X.; Centelles, M.; Mishustin, I. N.; Greiner, W.

2012-08-01

In multifragmentation of hot nuclear matter, properties of fragments embedded in a soup of nucleonic gas and other fragments should be modified as compared with isolated nuclei. Such modifications are studied within a simple model where only nucleons and one kind of heavy nuclei are considered. The interaction between different species is described with a momentum-dependent two-body potential whose parameters are fitted to reproduce properties of cold isolated nuclei. The internal energy of heavy fragments is parametrized according to a liquid-drop model with density- and temperature-dependent parameters. Calculations are carried out for several subnuclear densities and moderate temperatures, for isospin-symmetric and asymmetric systems. We find that the fragments get stretched due to interactions with the medium and their binding energies decrease with increasing temperature and density of nuclear matter.

Calculations of the β-decay half-lives of neutron-deficient nuclei

NASA Astrophysics Data System (ADS)

Tan, Wenjin; Ni, Dongdong; Ren, Zhongzhou

2017-05-01

In this work, β+/EC decays of some medium-mass nuclei are investigated within the extended quasiparticle random-phase approximation (QRPA), where neutron-neutron, proton-proton and neutron-proton (np) pairing correlations are taken into consideration in the specialized Hartree-Fock-Bogoliubov (HFB) transformation. In addition to the pairing interaction, the Brückner G-matrix obtained with the charge-dependent Bonn nucleon-nucleon force is used for the residual particle-particle and particle-hole interactions. Calculations are performed for even-even proton-rich isotopes ranging from Z=24 to Z=34. It is found that the np pairing interaction plays a significant role in β-decay for some nuclei far from stability. Compared with other theoretical calculations, our calculations show good agreement with the available experimental data. Predictions of β-decay half-lives for some very neutron-deficient nuclei are made for reference. Supported by National Nature Science Foundation of China (11535004, 11375086, 11120101005, 11175085 and 11235001), 973 Nation Major State Basic Research and Development of China (2013CB834400) and Science and Technology Development Fund of Macau (020/2014/A1 and 039/2013/A2)

Hard QCD processes in the nuclear medium

NASA Astrophysics Data System (ADS)

Freese, Adam

The environment inside the atomic nucleus is one of the most fascinating arenas for the study of quantum chromodynamics (QCD). The strongly-interacting nature of the nuclear medium a?ects the nature of both QCD processes and the quark-gluon structure of hadrons, allowing several unique aspects of the strong nuclear force to be investigated in reactions involving nuclear targets. The research presented in this dissertation explores two aspects of nuclear QCD: firstly, the partonic structure of the nucleus itself; and secondly, the use of the nucleus as a micro-laboratory in which QCD processes can be studied. The partonic structure of the nucleus is calculated in this work by deriving and utilizing a convolution formula. The hadronic structure of the nucleus and the quark-gluon structure of its constituent nucleons are taken together to determine the nuclear partonic structure. Light cone descriptions of short range correlations, in terms of both hadronic and partonic structure, are derived and taken into account. Medium modifications of the bound nucleons are accounted for using the color screening model, and QCD evolution is used to connect nuclear partonic structure at vastly di?erent energy scales. The formalism developed for calculating nuclear partonic structure is applied to inclusive dijet production from proton-nucleus collisions at LHC kinematics, and novel predictions are calculated and presented for the dijet cross section. The nucleus is investigated as a micro-laboratory in vector meson photoproduction reactions. In particular, the deuteron is studied in the break-up reaction gammad → Vpn, for both the φ(1020) and J/v vector mesons. The generalized eikonal approximation is utilized, allowing unambiguous separation of the impulse approximation and final state interactions (FSIs). Two peaks or valleys are seen in the angular distribution of the reaction cross section, each of which is due to an FSI between either the proton and neutron, or the produced vector meson and the spectator nucleon. The presence and size of the latter FSI valley/peak contains information about the meson-nucleon interaction, and it is shown that several models of this interaction can be distinguished by measuring the angular distribution for the deuteron breakup reaction.

Molecular dynamics simulation of solute diffusion in Lennard-Jones fluids

NASA Astrophysics Data System (ADS)

Yamaguchi, T.; Kimura, Y.; Hirota, N.

We performed a molecular dynamics (MD) simulation for a system of 5 solute molecules in 495 solvent molecules interacting through the Lennard-Jones (LJ) 12-6 potential, in order to study solvent density effects on the diffusion coefficients in supercritical fluids. The effects of the size of the solute and the strength of the solute-solvent attractive interaction on the diffusion coefficient of the solute were examined. The diffusion coefficients of the solute molecules were calculated at T = 1.5 (in the LJ reduced unit), slightly above the critical temperature, from rho = 0.1 to rho = 0.95, where rho is the number density in the LJ reduced unit. The memory function in the generalized Langevin equation was calculated, in order to know the molecular origin of the friction on a solute. The memory function is separated into fast and slow components. The former arises from the solute-solvent repulsive interaction, and is interpreted as collisional Enskog-like friction. The interaction strength dependence of the collisional friction is larger in the low- and medium-density regions, which is consistent with the 'clustering' picture, i.e., the local density enhancement due to the solute-solvent attractive interaction. However, the slow component of the memory function suppresses the effect of the local density on the diffusion coefficients, and as a result the effect of the attractive interaction is smaller on the diffusion coefficients than on the local density. Nonetheless, the solvent density dependence of the effect of the attraction on the diffusion coefficient varies with the local density, and it is concluded that the local density is the principal factor that determines the interaction strength dependence of the diffusion coefficient in the low- and medium-density regions (p < 0.6).

Nuclear gamma rays from energetic particle interactions

NASA Technical Reports Server (NTRS)

Ramaty, R.; Kozlovsky, B.; Lingenfelter, R. E.

1978-01-01

Gamma ray line emission from nuclear deexcitation following energetic particle reactions is evaluated. The compiled nuclear data and the calculated gamma ray spectra and intensities can be used for the study of astrophysical sites which contain large fluxes of energetic protons and nuclei. A detailed evaluation of gamma ray line production in the interstellar medium is made.

Comparison of all atom, continuum, and linear fitting empirical models for charge screening effect of aqueous medium surrounding a protein molecule

NASA Astrophysics Data System (ADS)

Takahashi, Takuya; Sugiura, Junnnosuke; Nagayama, Kuniaki

2002-05-01

To investigate the role hydration plays in the electrostatic interactions of proteins, the time-averaged electrostatic potential of the B1 domain of protein G in an aqueous solution was calculated with full atomic molecular dynamics simulations that explicitly considers every atom (i.e., an all atom model). This all atom calculated potential was compared with the potential obtained from an electrostatic continuum model calculation. In both cases, the charge-screening effect was fairly well formulated with an effective relative dielectric constant which increased linearly with increasing charge-charge distance. This simulated linear dependence agrees with the experimentally determined linear relation proposed by Pickersgill. Cut-off approximations for Coulomb interactions failed to reproduce this linear relation. Correlation between the all atom model and the continuum models was found to be better than the respective correlation calculated for linear fitting to the two models. This confirms that the continuum model is better at treating the complicated shapes of protein conformations than the simple linear fitting empirical model. We have tried a sigmoid fitting empirical model in addition to the linear one. When weights of all data were treated equally, the sigmoid model, which requires two fitting parameters, fits results of both the all atom and the continuum models less accurately than the linear model which requires only one fitting parameter. When potential values are chosen as weighting factors, the fitting error of the sigmoid model became smaller, and the slope of both linear fitting curves became smaller. This suggests the screening effect of an aqueous medium within a short range, where potential values are relatively large, is smaller than that expected from the linear fitting curve whose slope is almost 4. To investigate the linear increase of the effective relative dielectric constant, the Poisson equation of a low-dielectric sphere in a high-dielectric medium was solved and charges distributed near the molecular surface were indicated as leading to the apparent linearity.

Remote sensing of Earth terrain

NASA Technical Reports Server (NTRS)

Kong, Jin AU; Yueh, Herng-Aung

1990-01-01

The layered random medium model is used to investigate the fully polarimetric scattering of electromagnetic waves from vegetation. The vegetation canopy is modeled as an anisotropic random medium containing nonspherical scatterers with preferred alignment. The underlying medium is considered as a homogeneous half space. The scattering effect of the vegetation canopy are characterized by 3-D correlation functions with variances and correlation lengths respectively corresponding to the fluctuation strengths and the physical geometries of the scatterers. The strong fluctuation theory is used to calculate the anisotropic effective permittivity tensor of the random medium and the distorted Born approximation is then applied to obtain the covariance matrix which describes the fully polarimetric scattering properties of the vegetation field. This model accounts for all the interaction processes between the boundaries and the scatterers and includes all the coherent effects due to wave propagation in different directions such as the constructive and destructive interferences. For a vegetation canopy with low attenuation, the boundary between the vegetation and the underlying medium can give rise to significant coherent effects.

The impact of different interstellar medium structures on the dynamical evolution of supernova remnants

NASA Astrophysics Data System (ADS)

Wang, Yueyang; Bao, Biwen; Yang, Chuyuan; Zhang, Li

2018-05-01

The dynamical properties of supernova remnants (SNRs) evolving with different interstellar medium structures are investigated through performing extensive two-dimensional magnetohydrodynamic (MHD) simulations in the cylindrical symmetry. Three cases of different interstellar medium structures are considered: the uniform medium, the turbulent medium and the cloudy medium. Large-scale density and magnetic fluctuations are calculated and mapped into the computational domain before simulations. The clouds are set by random distribution in advance. The above configuration allows us to study the time-dependent dynamical properties and morphological evolution of the SNR evolving with different ambient structures, along with the development of the instabilities at the contact discontinuity. Our simulation results indicate that remnant morphology deviates from symmetry if the interstellar medium contains clouds or turbulent density fluctuations. In the cloudy medium case, interactions between the shock wave and clouds lead to clouds' fragmentation. The magnetic field can be greatly enhanced by stretching field lines with a combination of instabilities while the width of amplification region is quite different among the three cases. Moreover, both the width of amplification region and the maximum magnetic-field strength are closely related to the clouds' density.

Electromagnetic radiation from nuclear collisions at ultrarelativistic energies

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

Turbide, Simon; Gale, Charles; Frodermann, Evan

2008-02-15

The hot and dense strongly interacting matter created in collisions of heavy nuclei at RHIC energies is modeled with relativistic hydrodynamics, and the spectra of real and virtual photons produced at midrapidity in these events are calculated. Several different sources are considered, and their relative importance is compared. Specifically, we include jet fragmentation, jet-plasma interactions, the emission of radiation from the thermal medium and from primordial hard collisions. Our calculations consistently take into account jet energy loss, as evaluated in the AMY formalism. We obtain results for the spectra, the nuclear modification factor (R{sub AA}{sup {gamma}}), and the azimuthal anisotropymore » (v{sub 2}{sup {gamma}}) that agree with the photon measurements performed by the PHENIX Collaboration at RHIC.« less

Towards a molecular level understanding of the sulfanilamide-soil organic matter-interaction.

PubMed

Ahmed, Ashour A; Thiele-Bruhn, Sören; Leinweber, Peter; Kühn, Oliver

2016-07-15

Sorption experiments of sulfanilamide (SAA) on well-characterized samples of soil size-fractions were combined with the modeling of SAA-soil-interaction via quantum chemical calculations. Freundlich unit capacities were determined in batch experiments and it was found that they increase with the soil organic matter (SOM) content according to the order fine silt > medium silt > clay > whole soil > coarse silt > sand. The calculated binding energies for mass-spectrometrically quantified sorption sites followed the order ionic species > peptides > carbohydrates > phenols and lignin monomers > lignin dimers > heterocyclic compounds > fatty acids > sterols > aromatic compounds > lipids, alkanes, and alkenes. SAA forms H-bonds through its polar centers with the polar SOM sorption sites. In contrast dispersion and π-π-interactions predominate the interaction of the SAA aromatic ring with the non-polar moieties of SOM. Moreover, the dipole moment, partial atomic charges, and molecular volume of the SOM sorption sites are the main physical properties controlling the SAA-SOM-interaction. Further, reasonable estimates of the Freundlich unit capacities from the calculated binding energies have been established. Consequently, we suggest using this approach in forthcoming studies to disclose the interactions of a wide range of organic pollutants with SOM. Copyright © 2016 Elsevier B.V. All rights reserved.

Molecular complexes of L-phenylalanine with substituted 1,4-benzoquinones in aqueous medium: Spectral and theoretical investigations

NASA Astrophysics Data System (ADS)

Ganesh, K.; El-Mossalamy, E. H.; Satheshkumar, A.; Balraj, C.; Elango, K. P.

2013-12-01

Various spectral techniques such as UV-Vis, FT-IR, and fluorescence have been employed to investigate the charge transfer interaction of L-phenylalanine (LPA) with substituted 1,4-benzoquinones (MQ1-4). Kinetic and thermodynamic properties of the complexes were determined in aqueous medium at physiological condition (pH = 7). The interaction of MQ1-4 with L-phenylalanine (LPA) was found to proceed through the formation of donor-acceptor complex, yielding a radical anion. The stoichiometry of the complexes was determined by Jobs continuous variation method and was found to be 1:1 in all the cases. Fluorescence quenching studies showed that the interaction between the donor and the acceptors is spontaneous. The results indicated that the progressive replacement of chlorine atom (-I effect) by methoxy group (+M effect) in the quinone decreased the electron acceptor property of the quinone. The order of the experimentally measured association constant of these complexes was well supported by DFT/B3LYP calculations.

Pulsational Pair-instability Model for Superluminous Supernova PTF12dam: Interaction and Radioactive Decay

NASA Astrophysics Data System (ADS)

Tolstov, Alexey; Nomoto, Ken'ichi; Blinnikov, Sergei; Sorokina, Elena; Quimby, Robert; Baklanov, Petr

2017-02-01

Being a superluminous supernova, PTF12dam can be explained by a 56Ni-powered model, a magnetar-powered model, or an interaction model. We propose that PTF12dam is a pulsational pair-instability supernova, where the outer envelope of a progenitor is ejected during the pulsations. Thus, it is powered by a double energy source: radioactive decay of 56Ni and a radiative shock in a dense circumstellar medium. To describe multicolor light curves and spectra, we use radiation-hydrodynamics calculations of the STELLA code. We found that light curves are well described in the model with 40 M⊙ ejecta and 20-40 M⊙ circumstellar medium. The ejected 56Ni mass is about 6 M⊙, which results from explosive nucleosynthesis with large explosion energy (2-3) × 1052 erg. In comparison with alternative scenarios of pair-instability supernova and magnetar-powered supernova, in the interaction model, all the observed main photometric characteristics are well reproduced: multicolor light curves, color temperatures, and photospheric velocities.

An accurate cost effective DFT approach to study the sensing behaviour of polypyrrole towards nitrate ions in gas and aqueous phases.

PubMed

Wasim, Fatima; Mahmood, Tariq; Ayub, Khurshid

2016-07-28

Density functional theory (DFT) calculations have been performed to study the response of polypyrrole towards nitrate ions in gas and aqueous phases. First, an accurate estimate of interaction energies is obtained by methods calibrated against the gold standard CCSD(T) method. Then, a number of low cost DFT methods are also evaluated for their ability to accurately estimate the binding energies of polymer-nitrate complexes. The low cost methods evaluated here include dispersion corrected potential (DCP), Grimme's D3 correction, counterpoise correction of the B3LYP method, and Minnesota functionals (M05-2X). The interaction energies calculated using the counterpoise (CP) correction and DCP methods at the B3LYP level are in better agreement with the interaction energies calculated using the calibrated methods. The interaction energies of an infinite polymer (polypyrrole) with nitrate ions are calculated by a variety of low cost methods in order to find the associated errors. The electronic and spectroscopic properties of polypyrrole oligomers nPy (where n = 1-9) and nPy-NO3(-) complexes are calculated, and then extrapolated for an infinite polymer through a second degree polynomial fit. Charge analysis, frontier molecular orbital (FMO) analysis and density of state studies also reveal the sensing ability of polypyrrole towards nitrate ions. Interaction energies, charge analysis and density of states analyses illustrate that the response of polypyrrole towards nitrate ions is considerably reduced in the aqueous medium (compared to the gas phase).

Thermodynamic derivatives of infrared absorptance

NASA Technical Reports Server (NTRS)

Broersma, S.; Walls, W. L.

1974-01-01

Calculation of the concentration, pressure, and temperature dependence of the spectral absorptance of a vibrational absorption band. A smooth thermodynamic dependence was found for wavelength intervals where the average absorptance is less than 0.65. Individual rotational lines, whose parameters are often well known, were used as bases in the calculation of medium resolution spectra. Two modes of calculation were combined: well-separated rotational lines plus interaction terms, or strongly overlapping lines that were represented by a compound line of similar shape plus corrections. The 1.9- and 6.3-micron bands of H2O and the 4.3-micron band of CO2 were examined in detail and compared with experiment.

In-Medium Parton Branching Beyond Eikonal Approximation

NASA Astrophysics Data System (ADS)

Apolinário, Liliana

2017-03-01

The description of the in-medium modifications of partonic showers has been at the forefront of current theoretical and experimental efforts in heavy-ion collisions. It provides a unique laboratory to extend our knowledge frontier of the theory of the strong interactions, and to assess the properties of the hot and dense medium (QGP) that is produced in ultra-relativistic heavy-ion collisions at RHIC and the LHC. The theory of jet quenching, a commonly used alias for the modifications of the parton branching resulting from the interactions with the QGP, has been significantly developed over the last years. Within a weak coupling approach, several elementary processes that build up the parton shower evolution, such as single gluon emissions, interference effects between successive emissions and corrections to radiative energy loss of massive quarks, have been addressed both at eikonal accuracy and beyond by taking into account the Brownian motion that high-energy particles experience when traversing a hot and dense medium. In this work, by using the setup of single gluon emission from a color correlated quark-antiquark pair in a singlet state (qbar{q} antenna), we calculate the in-medium gluon radiation spectrum beyond the eikonal approximation. The results show that we are able to factorize broadening effects from the modifications of the radiation process itself. This constitutes the final proof that a probabilistic picture of the parton shower evolution holds even in the presence of a QGP.

A microPIXE investigation of the interaction of cells of Schizosaccharomyces pombe with the culture medium

NASA Astrophysics Data System (ADS)

Rombouts, P. M. M.; Gomez-Morilla, I.; Grime, G. W.; Webb, R. P.; Cuenca, L.; Rodriguez, R.; Browton, M.; Wardell, N.; Underwood, B.; Kirkby, N. F.; Kirkby, K. J.

2007-07-01

Schizosaccharomyces pombe ( S. pombe) is a eucaryotic cell type similar to mammalian cells but much more simple. As it also executes its cell cycle rapidly it is very useful for investigating basic processes in cells. In this paper we report a feasibility study of the applicability of microPIXE to investigate the interaction between S. pombe cells and the surrounding culture medium. Cells were cultured in various growth medium prior to preparation for analysis. 1 μl drops of medium and cells were spotted onto polypropylene foils held in contact with a polished copper block previously cooled in liquid nitrogen. The samples were dehydrated by freeze-drying. Micro PIXE analysis was carried out with the IBC microbeam facility using a beam of 2.5 MeV protons focused to 1-2 μm diameter. Initially no elemental contrast was observed between the cells and the medium, but by modifying the dilution of the cell suspension, the cells could be distinguished from the surrounding medium through an increased concentration of P and reduced concentration of Cl. The distribution of Na in the medium around the cells showed evidence of the action of the Na pump. Sporulation appears to be induced in the cells by adding Cu to the growth medium and the uptake of Cu by the cells could be clearly observed. This study shows that it is possible to analyse the mass transport of elements in and out of cells In the future this will enable concentration gradients to be analysed and allow the rate of production or consumption of individual cells to be calculated. By observing these patterns for individual cells (not populations) at various known points in the cell cycle, fundamental data can be derived.

A method of measuring micro-impulse with torsion pendulum based on multi-beam laser heterodyne

NASA Astrophysics Data System (ADS)

Li, Yan-Chao; Wang, Chun-Hui

2012-02-01

In this paper, we propose a novel method of multi-beam laser heterodyne measurement for micro-impulse. The measurement of the micro-impulse, which is converted into the measurement of the small tuning angle of the torsion pendulum, is realized by considering the interaction between pulse laser and working medium. Based on Doppler effect and heterodyne technology, the information regarding the small tuning angle is loaded to the frequency difference of the multi-beam laser heterodyne signal by the frequency modulation of the oscillating mirror, thereby obtaining many values of the small tuning angle after the multi-beam laser heterodyne signal demodulation simultaneously. Processing these values by weighted-average, the small tuning angle can be obtained accurately and the value of the micro-impulse can eventually be calculated. Using Polyvinylchlorid+2%C as a working medium, this novel method is used to simulate the value of the micro-impulse by MATLAB which is generated by considering the interaction between the pulse laser and the working medium, the obtained result shows that the relative error of this method is just 0.5%.

Aggregate linear properties of ferroelectric ceramics and polycrystalline thin films: Calculation by the method of effective piezoelectric medium

NASA Astrophysics Data System (ADS)

Pertsev, N. A.; Zembilgotov, A. G.; Waser, R.

1998-08-01

The effective dielectric, piezoelectric, and elastic constants of polycrystalline ferroelectric materials are calculated from single-crystal data by an advanced method of effective medium, which takes into account the piezoelectric interactions between grains in full measure. For bulk BaTiO3 and PbTiO3 polarized ceramics, the dependences of material constants on the remanent polarization are reported. Dielectric and elastic constants are computed also for unpolarized c- and a-textured ferroelectric thin films deposited on cubic or amorphous substrates. It is found that the dielectric properties of BaTiO3 and PbTiO3 polycrystalline thin films strongly depend on the type of crystal texture. The influence of two-dimensional clamping by the substrate on the dielectric and piezoelectric responses of polarized films is described quantitatively and shown to be especially important for the piezoelectric charge coefficient of BaTiO3 films.

Size-dependent Hamaker constants for silver and gold nanoparticles

NASA Astrophysics Data System (ADS)

Pinchuk, Pavlo; Jiang, Ke

2015-08-01

Hamaker-Lifshitz constants are material specific constants that are used to calculate van der Waals interaction forces between small particles in solution. Typically, these constants are size-independent and material specific. According to the Lifshitz theory, the Hamaker-Lifshitz constants can be calculated by taking integrals that include the dielectric permittivity, as a function of frequency, of the interacting particles and the medium around particles. The dielectric permittivity of interacting metal nanoparticles can be calculated using the Drude model, which is based on the assumption of motion of free conducting electrons. For bulk metals, the Drude model does not predict any sizedependence of the dielectric permittivity. However, the conducting electrons in small noble metal nanoparticles (R ~ 10nm) exhibit surface scattering, which changes the complex permittivity function. In this work, we show theoretically that scattering of the free conducting electrons inside silver and gold nanoparticles with the size of 1 - 50 nm leads to size-dependent dielectric permittivity and Hamaker-Lifshitz constants. We calculate numerically the Hamaker-Lifshitz constants for silver and gold nanoparticles with different diameters. The results of the study might be of interests for understanding colloidal stability of metal nanoparticles.

Non-covalent interaction between Cu-phthalocyanine and methanato borondifluoride derivatives in two different medium

NASA Astrophysics Data System (ADS)

Pal, Chiranjit; Chaudhuri, Tandrima; Chattopdhyay, Subrata; Banerjee, Manas

2017-04-01

This study sort out chemical physics of non-covalent interaction between Copper phthalocyanine (CuPC) with Methanato borondifluoride derivatives (MBDF) in chloroform and ethanol. Formation of isosbestic points indicated stable ground state equilibrium between CuPC and MBDF, association ability were more pronounced in less polar chloroform. Interesting overall parallel orientation of MBDF over CuPC in gas phase geometries indicated that fluorine centre of MBDF lying just above the Cu-centre of CuPC. Thus strong interaction between Cu(II)- and F- centre could not be overruled and was also established by NBO calculation. TDDFT along with FMO features and heat of reaction values clearly designated the existence of π-π interaction and effect of solvent polarity on that interaction.

Charmonium interaction in nuclear matter at FAIR

NASA Astrophysics Data System (ADS)

Pratim Bhaduri, Partha; Deveaux, Michael; Toia, Alberica

2018-05-01

We have studied the dissociation of J/ψ mesons in low energy proton-nucleus (p + A) collisions in the energy range of the future SIS100 accelerator at Facility for Anti-proton and Ion Research (FAIR). According to the results of our calculations, various scenarios of J/ψ absorption in nuclear matter show very distinct suppression patterns in the kinematic regime to be probed at FAIR. This suggests that the SIS100 energies are particularly suited to shed light on the issue of interaction of J/ψ resonance in nuclear medium.

Squeezing via two-photon transitions

NASA Astrophysics Data System (ADS)

Savage, C. M.; Walls, D. F.

1986-05-01

The squeezing spectrum for a cavity field mode interacting with an ensemble of three-level 'Lambda-configuration' atoms by an effective two-photon transition is calculated. The advantage of the three-level Lambda system as a squeezing medium, that is, optical nonlinearity without atomic saturation, has recently been pointed out by Reid, Walls, and Dalton. Perfect squeezing is predicted at the turning points for dispersive optical bistability and good squeezing for a range of other cases. Three-level ladder atoms interacting by an effective two-photon transition are also shown to give perfect squeezing in the dispersive limit.

The nonlinear interaction of convection modes in a box of a saturated porous medium

NASA Astrophysics Data System (ADS)

Florio, Brendan J.; Bassom, Andrew P.; Fowkes, Neville; Judd, Kevin; Stemler, Thomas

2015-05-01

A plethora of convection modes may occur within a confined box of porous medium when the associated dimensionless Rayleigh number R is above some critical value dependent on the geometry. In many cases the crucial Rayleigh number Rc for onset is different for each mode, and in practice the mode with the lowest associated Rc is likely to be the dominant one. For particular sizes of box, however, it is possible for multiple modes (typically three) to share a common Rc. For box shapes close to these special geometries the modes interact and compete nonlinearly near the onset of convection. Here this mechanism is explored and it is shown that generically the dynamics of the competition takes on one of two possible structures. A specific example of each is described, while the general properties of the system enables us to compare our results with some previous calculations for particular box dimensions.

Size- and temperature-dependent Hamaker constants for heterogeneous systems of interacting nanoparticles

NASA Astrophysics Data System (ADS)

Pinchuk, P.; Pinchuk, A. O.

2016-09-01

Hamaker-Lifshitz constants are used to calculate van der Waals interaction forces between small particles in solution. Typically, these constants are size-independent and material specific. According to the Lifshitz theory, the Hamaker-Lifshitz constants can be calculated by taking integrals that include the dielectric permittivity, as a function of frequency, of the interacting particles and the medium around particles. The dielectric permittivity of interacting metal nanoparticles can be calculated using the free-electron Drude model for metals. For bulk metals, the Drude model does is size independent. However, the conducting electrons in small metal nanoparticles exhibit surface scattering, which changes the complex dielectric permittivity function. Additionally, the Drude model can be modified to include temperature dependence. That is, an increase in temperature leads to thermal volume expansion and increased phonon population, which affect the scattering rate of the electrons and the plasma frequency. Both of these terms contribute significantly to the Drude model for the dielectric permittivity of the particles. In this work, we show theoretically that scattering of the free conducting electrons inside noble metal nanoparticles with the size of 1 - 50 nm leads to size-dependent dielectric permittivity and Hamaker-Lifshitz constants. In addition, we calculate numerically the Hamaker-Lifshitz constants for a variety of temperatures. The results of the study might be of interest for understanding colloidal stability of metal nanoparticles.

Three-Nucleon Forces and Triplet Pairing in Neutron Matter

NASA Astrophysics Data System (ADS)

Papakonstantinou, P.; Clark, J. W.

2017-12-01

The existence of superfluidity of the neutron component in the core of a neutron star, associated specifically with triplet P-wave pairing, is currently an open question that is central to interpretation of the observed cooling curves and other neutron-star observables. Ab initio theoretical calculations aimed at resolving this issue face unique challenges in the relevant high-density domain, which reaches beyond the saturation density of symmetrical nuclear matter. These issues include uncertainties in the three-nucleon (3N) interaction and in the effects of strong short-range correlations—and more generally of in-medium modification of nucleonic self-energies and interactions. A survey of existing solutions of the gap equations in the triplet channel demonstrates that the net impact on the gap magnitude of 3N forces, coupled channels, and mass renormalization shows extreme variation dependent on specific theoretical inputs, in some cases even pointing to the absence of a triplet gap, thus motivating a detailed analysis of competing effects within a well-controlled model. In the present study, we track the effects of the 3N force and in-medium modifications in the representative case of the ^3P_2 channel, based on the Argonne v_{18} two-nucleon (2N) interaction supplemented by 3N interactions of the Urbana IX family. Sensitivity of the results to the input interaction is clearly demonstrated. We point out consistency issues with respect to the simultaneous treatment of 3N forces and in-medium effects, which warrant further investigation. We consider this pilot study as the first step toward a systematic and comprehensive exploration of coupled-channel ^3P F_2 pairing using a broad range of 2N and 3N interactions from the current generation of refined semi-phenomenological models and models derived from chiral effective field theory.

Pulsational Pair-instability Model for Superluminous Supernova PTF12dam:Interaction and Radioactive Decay

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

Tolstov, Alexey; Nomoto, Ken’ichi; Blinnikov, Sergei

2017-02-01

Being a superluminous supernova, PTF12dam can be explained by a {sup 56}Ni-powered model, a magnetar-powered model, or an interaction model. We propose that PTF12dam is a pulsational pair-instability supernova, where the outer envelope of a progenitor is ejected during the pulsations. Thus, it is powered by a double energy source: radioactive decay of {sup 56}Ni and a radiative shock in a dense circumstellar medium. To describe multicolor light curves and spectra, we use radiation-hydrodynamics calculations of the STELLA code. We found that light curves are well described in the model with 40 M {sub ⊙} ejecta and 20–40 M {submore » ⊙} circumstellar medium. The ejected {sup 56}Ni mass is about 6 M {sub ⊙}, which results from explosive nucleosynthesis with large explosion energy (2–3)×10{sup 52} erg. In comparison with alternative scenarios of pair-instability supernova and magnetar-powered supernova, in the interaction model, all the observed main photometric characteristics are well reproduced: multicolor light curves, color temperatures, and photospheric velocities.« less

Counterion effects in protein nanoparticle electrostatic binding: a theoretical study.

PubMed

Ghosh, Goutam

2015-04-01

Effects of counterions on the folding conformation of proteins, bound electrostatically on the surface of charge-ligand functionalized nanoparticles, have been investigated based on the protein folding energy calculation. The folding energy of a protein has been taken as a sum of the short range interaction energies, like, the van der Waals attraction and the hydrogen bond energies, and the long range coulomb interaction energy. On electrostatic binding, counterions associated with surface ligands of nanoparticles diffuse into bound proteins through the medium of dispersion. As a result, bound proteins partially unfold, as observed in circular dichroism experiments, which has been realized using the "charge-dipole" and the "charge-induced dipole" interactions of counterions with polar and non-polar residues, respectively. The effect of counterions solvation in the dispersing medium, e.g., water, which causes water molecules to polarize around the counterions, has also been considered. The folding energy of bound proteins has been seen to decrease proportionally with the increasing number of diffusion of counterions and their polarizability. Copyright © 2015 Elsevier B.V. All rights reserved.

Molecular complexes of l-phenylalanine with substituted 1,4-benzoquinones in aqueous medium: spectral and theoretical investigations.

PubMed

Ganesh, K; El-Mossalamy, E H; Satheshkumar, A; Balraj, C; Elango, K P

2013-12-01

Various spectral techniques such as UV-Vis, FT-IR, and fluorescence have been employed to investigate the charge transfer interaction of L-phenylalanine (LPA) with substituted 1,4-benzoquinones (MQ(1-4)). Kinetic and thermodynamic properties of the complexes were determined in aqueous medium at physiological condition (pH=7). The interaction of MQ(1-4) with L-phenylalanine (LPA) was found to proceed through the formation of donor-acceptor complex, yielding a radical anion. The stoichiometry of the complexes was determined by Jobs continuous variation method and was found to be 1:1 in all the cases. Fluorescence quenching studies showed that the interaction between the donor and the acceptors is spontaneous. The results indicated that the progressive replacement of chlorine atom (-I effect) by methoxy group (+M effect) in the quinone decreased the electron acceptor property of the quinone. The order of the experimentally measured association constant of these complexes was well supported by DFT/B3LYP calculations. Copyright © 2013 Elsevier B.V. All rights reserved.

Interaction cross sections and matter radii of oxygen isotopes using the Glauber model

NASA Astrophysics Data System (ADS)

Ahmad, Suhel; Usmani, A. A.; Ahmad, Shakeb; Khan, Z. A.

2017-05-01

Using the Coulomb modified correlation expansion for the Glauber model S matrix, we calculate the interaction cross sections of oxygen isotopes (O-2616) on 12C at 1.0 GeV/nucleon. The densities of O-2616 are obtained using (i) the Slater determinants consisting of the harmonic oscillator single-particle wave functions (SDHO) and (ii) the relativistic mean-field approach (RMF). Retaining up to the two-body density term in the correlation expansion, the calculations are performed employing the free as well as the in-medium nucleon-nucleon (N N ) scattering amplitude. The in-medium N N amplitude considers the effects arising due to phase variation, higher momentum transfer components, and Pauli blocking. Our main focus in this work is to reveal how could one make the best use of SDHO densities with reference to the RMF one. The results demonstrate that the SDHO densities, along with the in-medium N N amplitude, are able to provide satisfactory explanation of the experimental data. It is found that, except for O,2423, the predicted SDHO matter rms radii of oxygen isotopes closely agree with those obtained using the RMF densities. However, for O,2423, our results require reasonably larger SDHO matter rms radii than the RMF values, thereby predicting thicker neutron skins in 23O and 24O as compared to RMF ones. In conclusion, the results of the present analysis establish the utility of SDHO densities in predicting fairly reliable estimates of the matter rms radii of neutron-rich nuclei.

Quantum Reflection of Massless Neutrinos from a Torsion-Induced Potential

NASA Astrophysics Data System (ADS)

Alimohammadi, M.; Shariati, A.

In the context of the Einstein-Cartan-Dirac model, where the torsion of the space-time couples to the axial currents of the fermions, we study the effects of this quantum-gravitational interaction on a massless neutrino beam crossing through a medium with a high number density of fermions at rest. We calculate the reflection amplitude and show that a specific fraction of the incident neutrinos reflects from this potential if the polarization of the medium is different from zero. We also discuss the order of magnitude of the fermionic number density in which this phenomenon is observable, in other theoretical contexts, for example, the strong gravity regime and the effective field theory approach.

Observation of orbital angular momentum transfer between acoustic and optical vortices in optical fiber.

PubMed

Dashti, Pedram Z; Alhassen, Fares; Lee, Henry P

2006-02-03

Acousto-optic interaction in optical fiber is examined from the perspective of copropagating optical and acoustic vortex modes. Calculation of the acousto-optic coupling coefficient between different optical modes leads to independent conservation of spin and orbital angular momentum of the interacting photons and phonons. We show that the orbital angular momentum of the acoustic vortex can be transferred to a circularly polarized fundamental optical mode to form a stable optical vortex in the fiber carrying orbital angular momentum. The technique provides a useful way of generating stable optical vortices in the fiber medium.

Effect of Solvent Dielectric Constant on the Formation of Large Flat Bilayer Stacks in a Lecithin/Hexadecanol Hydrogel.

PubMed

Nakagawa, Yasuharu; Nakazawa, Hiromitsu; Kato, Satoru

2016-07-12

We investigated the effect of dielectric properties of the aqueous medium on the novel type of hydrogel composed of a crude lecithin mixture (PC70) and hexadecanol (HD), in which charged sheet-like bilayers are kept far apart due to interbilayer repulsive interaction. We used dipropylene glycol (DPG) as a modifier of the dielectric properties and examined its effect on the hydrogel by synchrotron X-ray diffraction, differential scanning calorimetry (DSC), polarized optical microscopy, and freeze-fracture electron microscopy. We found that at a DPG weight fraction in the aqueous medium WDPG ≈ 0.4, the bilayer organization is transformed into unusually large flat bilayer stacks with a regular lamellar spacing of 6.25 nm and consequently disintegration of the hydrogel takes place. Semiquantitative calculation of the interbilayer interaction energy based on the Deyaguin-Landau-Verwey-Overbeek (DLVO) theory suggested that the reduction of the aqueous medium dielectric constant ε by DPG may lower the energy barrier preventing flat bilayers from coming closer together. We inferred that the size of the bilayer sheet increases because the reduction of ε promotes protonation of acidic lipids that work as edge-capping molecules.

Investigation of the radiation background in the interaction region of the medium-energy electron relativisitic heavy ion collider (MeRHIC)

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

Beebe-Wang,J.

There are three main sources of the radiation background in MeRHIC: forward synchrotron radiation generated upstream of the detector, the direct backward radiation caused by the photons hitting beampipe downstream of the detector, and the indirect secondary radiation caused by hard photons hitting vacuum systems, masks, collimators, absorbers or any other elements in the interaction region. In this paper, we first calculate the primary radiation distribution by employing electromagnetic theory. Then we obtain the direct backward scattering rate by applying the kinematic Born approximation deduced from scattering dynamics. The diffuse scattering cross section is calculated as a function of themore » surface properties of the MeRHIC vacuum system. Finally, the dominating physical processes and minimization of indirect secondary radiation is presented and discussed.« less

Effect of magnetic field on beta processes in a relativistic moderately degenerate plasma

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

Ognev, I. S., E-mail: ognev@uniyar.ac.ru

The effect of a magnetic field of arbitrary strength on the beta decay and crossing symmetric processes is analyzed. A covariant calculation technique is used to derive the expression for the squares of S-matrix elements of these reactions, which is also valid in reference frames in which the medium moves as a single whole along magnetic field lines. Simple analytic expressions obtained for the neutrino and antineutrino emissivities for a moderately degenerate plasma fully characterize the emissivity and absorbability of the studied medium. It is shown that the approximation used here is valid for core collapse supernovae and accretion disksmore » around black holes; beta processes in these objects are predominantly neutrino reactions. The analytic expressions obtained for the emissivities can serve as a good approximation for describing the interaction of electron neutrinos and antineutrinos with the medium of the objects in question and hold for an arbitrary magnetic field strength. Due to their simplicity, these expressions can be included in the magnetohydrodynamic simulation of supernovae and accretion disks to calculate neutrino and antineutrino transport in them. The rates of beta processes and the energy and momentum emitted in them are calculated for an optically transparent matter. It is shown that the macroscopic momentum transferred in the medium increases linearly with the magnetic field strength and can substantially affect the dynamics of supernovae and accretion disks in the regions of a degenerate matter. It is also shown that the rates of beta processes and the energy emission for a magnetic field strength of B ≲ 10{sup 15} G typical of supernovae and accretion disks are lower than in the absence of field. This suppression is stronger for reactions with neutrinos.« less

On the cosmic ray diffusion in a violent interstellar medium

NASA Technical Reports Server (NTRS)

Bykov, A. M.; Toptygin, I. N.

1985-01-01

A variety of the available observational data on the cosmic ray (CR) spectrum, anisotropy and composition are in good agreement with a suggestion on the diffusion propagation of CR with energy below 10(15) eV in the interstellar medium. The magnitude of the CR diffusion coefficient and its energy dependence are determined by interstellar medium (ISM) magnetic field spectra. Direct observational data on magnetic field spectra are still absent. A theoretical model to the turbulence generation in the multiphase ISM is resented. The model is based on the multiple generation of secondary shocks and concomitant large-scale rarefactions due to supernova shock interactions with interstellar clouds. The distribution function for ISM shocks are derived to include supernova statistics, diffuse cloud distribution, and various shock wave propagation regimes. This permits calculation of the ISM magnetic field fluctuation spectrum and CR diffusion coefficient for the hot phase of ISM.

Thermal conductivity calculation of nano-suspensions using Green-Kubo relations with reduced artificial correlations.

PubMed

Muraleedharan, Murali Gopal; Sundaram, Dilip Srinivas; Henry, Asegun; Yang, Vigor

2017-04-20

The presence of artificial correlations associated with Green-Kubo (GK) thermal conductivity calculations is investigated. The thermal conductivity of nano-suspensions is calculated by equilibrium molecular dynamics (EMD) simulations using GK relations. Calculations are first performed for a single alumina (Al 2 O 3 ) nanoparticle dispersed in a water medium. For a particle size of 1 nm and volume fraction of 9%, results show enhancements as high as 235%, which is much higher than the Maxwell model predictions. When calculations are done with multiple suspended particles, no such anomalous enhancement is observed. This is because the vibrations in alumina crystal can act as low frequency perturbations, which can travel long distances through the surrounding water medium, characterized by higher vibration frequencies. As a result of the periodic boundaries, they re-enter the system resulting in a circular resonance of thermal fluctuations between the alumina particle and its own image, eventually leading to artificial correlations in the heat current autocorrelation function (HCACF), which when integrated yields abnormally high thermal conductivities. Adding more particles presents 'obstacles' with which the fluctuations interact and get dissipated, before they get fed back to the periodic image. A systematic study of the temporal evolution of HCACF indicates that the magnitude and oscillations of artificial correlations decrease substantially with increase in the number of suspended nanoparticles.

How Structure Defines Affinity in Protein-Protein Interactions

PubMed Central

Erijman, Ariel; Rosenthal, Eran; Shifman, Julia M.

2014-01-01

Protein-protein interactions (PPI) in nature are conveyed by a multitude of binding modes involving various surfaces, secondary structure elements and intermolecular interactions. This diversity results in PPI binding affinities that span more than nine orders of magnitude. Several early studies attempted to correlate PPI binding affinities to various structure-derived features with limited success. The growing number of high-resolution structures, the appearance of more precise methods for measuring binding affinities and the development of new computational algorithms enable more thorough investigations in this direction. Here, we use a large dataset of PPI structures with the documented binding affinities to calculate a number of structure-based features that could potentially define binding energetics. We explore how well each calculated biophysical feature alone correlates with binding affinity and determine the features that could be used to distinguish between high-, medium- and low- affinity PPIs. Furthermore, we test how various combinations of features could be applied to predict binding affinity and observe a slow improvement in correlation as more features are incorporated into the equation. In addition, we observe a considerable improvement in predictions if we exclude from our analysis low-resolution and NMR structures, revealing the importance of capturing exact intermolecular interactions in our calculations. Our analysis should facilitate prediction of new interactions on the genome scale, better characterization of signaling networks and design of novel binding partners for various target proteins. PMID:25329579

First-principles simulation for strong and ultra-short laser pulse propagation in dielectrics

NASA Astrophysics Data System (ADS)

Yabana, K.

2016-05-01

We develop a computational approach for interaction between strong laser pulse and dielectrics based on time-dependent density functional theory (TDDFT). In this approach, a key ingredient is a solver to simulate electron dynamics in a unit cell of solids under a time-varying electric field that is a time-dependent extension of the static band calculation. This calculation can be regarded as a constitutive relation, providing macroscopic electric current for a given electric field applied to the medium. Combining the solver with Maxwell equations for electromagnetic fields of the laser pulse, we describe propagation of laser pulses in dielectrics without any empirical parameters. An important output from the coupled Maxwell+TDDFT simulation is the energy transfer from the laser pulse to electrons in the medium. We have found an abrupt increase of the energy transfer at certain laser intensity close to damage threshold. We also estimate damage threshold by comparing the transferred energy with melting and cohesive energies. It shows reasonable agreement with measurements.

Molecular dynamics simulation of siderite-hematite-quartz flotation with sodium oleate

NASA Astrophysics Data System (ADS)

Li, Lixia; Hao, Haiqing; Yuan, Zhitao; Liu, Jiongtian

2017-10-01

Models of sodium oleate adsorption on siderite, hematite and quartz were investigated by molecular dynamic simulation, respectively. Surface energy was calculated to confirm the cleavage plan of hematite and quartz. Both natural cleavage plane of siderite and calculated plane were used to investigate the flotation of the three minerals. Based on the molecular simulation in solution with water as medium, adsorption quantity and interaction capability of oleate ions on the three minerals indicated that siderite could be collected efficiently by sodium oleate at neutral pH. Results of flotation experiments were further demonstrated by analysis of relative concentration of carbon atoms and oxygen atoms.

Ground-state energies and charge radii of medium-mass nuclei in the unitary-model-operator approach

NASA Astrophysics Data System (ADS)

Miyagi, Takayuki; Abe, Takashi; Okamoto, Ryoji; Otsuka, Takaharu

2014-09-01

In nuclear structure theory, one of the most fundamental problems is to understand the nuclear structure based on nuclear forces. This attempt has been enabled due to the progress of the computational power and nuclear many-body approaches. However, it is difficult to apply the first-principle methods to medium-mass region, because calculations demand the huge model space as increasing the number of nucleons. The unitary-model-operator approach (UMOA) is one of the methods which can be applied to medium-mass nuclei. The essential point of the UMOA is to construct the effective Hamiltonian which does not induce the two-particle-two-hole excitations. A many-body problem is reduced to the two-body subsystem problem in an entire many-body system with the two-body effective interaction and one-body potential determined self-consistently. In this presentation, we will report the numerical results of ground-state energies and charge radii of 16O, 40Ca, and 56Ni in the UMOA, and discuss the saturation property by comparing our results with those in the other many-body methods and also experimental data. In nuclear structure theory, one of the most fundamental problems is to understand the nuclear structure based on nuclear forces. This attempt has been enabled due to the progress of the computational power and nuclear many-body approaches. However, it is difficult to apply the first-principle methods to medium-mass region, because calculations demand the huge model space as increasing the number of nucleons. The unitary-model-operator approach (UMOA) is one of the methods which can be applied to medium-mass nuclei. The essential point of the UMOA is to construct the effective Hamiltonian which does not induce the two-particle-two-hole excitations. A many-body problem is reduced to the two-body subsystem problem in an entire many-body system with the two-body effective interaction and one-body potential determined self-consistently. In this presentation, we will report the numerical results of ground-state energies and charge radii of 16O, 40Ca, and 56Ni in the UMOA, and discuss the saturation property by comparing our results with those in the other many-body methods and also experimental data. The part of numerical calculation has been done on the NEC SX8R at RCNP, Osaka University. This work was supported in part by MEXT SPIRE and JICFuS. It was also supported in part by the Program in part for Leading Graduate Schools, MEXT, Japan.

Cosmic ray sources, acceleration and propagation

NASA Technical Reports Server (NTRS)

Ptuskin, V. S.

1986-01-01

A review is given of selected papers on the theory of cosmic ray (CR) propagation and acceleration. The high isotropy and a comparatively large age of galactic CR are explained by the effective interaction of relativistic particles with random and regular electromagnetic fields in interstellar medium. The kinetic theory of CR propagation in the Galaxy is formulated similarly to the elaborate theory of CR propagation in heliosphere. The substantial difference between these theories is explained by the necessity to take into account in some cases the collective effects due to a rather high density of relativisitc particles. In particular, the kinetic CR stream instability and the hydrodynamic Parker instability is studied. The interaction of relativistic particles with an ensemble of given weak random magnetic fields is calculated by perturbation theory. The theory of CR transfer is considered to be basically completed for this case. The main problem consists in poor information about the structure of the regular and the random galactic magnetic fields. An account is given of CR transfer in a turbulent medium.

Long-Range Superexchange in Electron Transport Proteins

NASA Astrophysics Data System (ADS)

Gruschus, James Michael

A new Hamiltonian model for the calculation of long-range electronic couplings in complex molecular systems is presented. These couplings make possible the electron transfers occurring at several critical steps in photosynthesis and respiration. The couplings studied are demonstrated to arise from a mechanism known as superexchange, where the electrons of the insulating medium are intimately involved in the delocalization of the donor wavefunction tail, allowing significant interaction with the acceptor at much greater separations than could be achieved were the medium absent. Superexchange phenomena in molecules of moderate complexity are first compared to couplings calculated with the model Hamiltonian, with very encouraging results. The method is then applied to several cytochrome c proteins where electron transfer has been measured between a zinc-substituted porphyrin and a ruthenium complex ligated to several sites at the protein surface. The calculated couplings are in unprecedented agreement with experiment. Novel, analytical derivatives of the superexchange coupling with respect to the orbital energies and interactions are then carried out on these proteins yielding the general, chemically relevant result that the entire three-dimensional zone between redox sites is important in mediating the superexchange coupling, in contrast to the prevailing assumption that the coupling can be characterized by a one-dimensional pathway consisting primarily of chains of bonded atoms. In addition, the derivatives provide the most comprehensive ever, atom-by -atom visualization of the superexchange process. Using AMBER molecular dynamics trajectories of the cytochrome c proteins, the effect of structural fluctuations on superexchange is examined. The calculated couplings show a substantial variability, a result contrary to the constant coupling implicit in most present-day transfer rate theory. Couplings are also calculated on surfaces enveloping several variants of cytochrome c, as well as plastocyanin, cytochrome b _5, and cytochrome c peroxidase. The surfaces reveal important clues as to which conformations of the electron transport protein complexes actually give rise to electron transfer, a subject of broad biological interest.

Hadronic Resonance production in ALICE

NASA Astrophysics Data System (ADS)

Markert, Christina; ALICE Collaboration

2017-07-01

In heavy ion collisions a fireball of hot and dense matter is created. Short lived hadronic resonances are sensitive to the medium properties, in particular to the temperature, density and system size. Resonance yields and momentum distributions are used to gain insight into the hadronic phase, its expansion velocity and time duration. The multiplicity dependent hadronic resonance production in p-p, p-Pb and Pb-Pb collisions will be discussed within the context of the possible extended hadronic and partonic phase. The experimental results will be compared to EPOS+UrQMD model calculations to discuss the system size dependent interactions of the hadronic medium on various resonances. Small systems such as p-p and p-Pb collisions will be discussed with respect to resonance and strange particle measurements.

Theoretical Studies of Dissociative Recombination of Electrons with SH+ Ions

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; di Nallo, O. E.; Hickman, A. P.; Mezei, J. Zs.; Colboc, F.; Schneider, I. F.; Chakrabarti, K.; Talbi, D.

2017-04-01

We are investigating the dissociative recombination (DR) of electrons with the molecular ion SH+, i.e. e- +SH+ -> S + H . SH+ is found in the interstellar medium (ISM), and little is known concerning its chemistry. Understanding the role of DR of electrons with SH+ will lead to more accurate astrophysical models. Large active-space multi-reference configuration interaction (MRCI) electronic structure calculations were performed using the GAMESS code to obtain ground and excited 2 Π state potential energy curves (PECs) for several values of SH separation. Core-excited Rydberg states have proven to be of huge importance. The block diagonalization method was used to disentangle interacting states and form a diabatic representation of the PECs. Currently we are performing dynamics calculations using Multichannel Quantum Defect Theory (MQDT) to obtain DR rates. The status of the work will be presented at the conference. Work supported by the French CNRS, the NSF, the XSEDE, and USMA.

Theoretical Studies of Dissociative Recombination of Electrons with SH+ Ions

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; di Nallo, O. E.; Hickman, A. P.; Mezei, J. Zs.; Colboc, F.; Schneider, I. F.; Chakrabarti, K.; Talbi, D.

2016-05-01

We are investigating the dissociative recombination (DR) of electrons with the molecular ion SH+, i.e. e- +SH+ --> S + H . SH+ is found in the interstellar medium (ISM), and little is known concerning its chemistry. Understanding the role of DR of electrons with SH+ will lead to more accurate astrophysical models. Large active-space multi-reference configuration interaction (MRCI) electronic structure calculations were performed using the GAMESS code to obtain ground and excited 2 Π state potential energy curves (PECs) for several values of SH separation. Core-excited Rydberg states have proven to be of huge importance. The block diagonalization method was used to disentangle interacting states and form a diabatic representation of the PECs. Currently we are performing dynamics calculations using Multichannel Quantum Defect Theory (MQDT) to obtain DR rates. The status of the work will be presented at the conference. work supported by the French CNRS, the NSF, the XSEDE, and USMA.

Helicopter Non-Unique Trim Strategies for Blade-Vortex Interaction (BVI) Noise Reduction

NASA Technical Reports Server (NTRS)

Malpica, Carlos; Greenwood, Eric; Sim, Ben W.

2016-01-01

An acoustics parametric analysis of the effect of fuselage drag and pitching moment on the Blade-Vortex Interaction (BVI) noise radiated by a medium lift helicopter (S-70UH-60) in a descending flight condition was conducted. The comprehensive analysis CAMRAD II was used for the calculation of vehicle trim, wake geometry and integrated air loads on the blade. The acoustics prediction code PSU-WOPWOP was used for calculating acoustic pressure signatures for a hemispherical grid centered at the hub. This paper revisits the concept of the X-force controller for BVI noise reduction, and investigates its effectiveness on an S-70 helicopter. The analysis showed that further BVI noise reductions were achievable by controlling the fuselage pitching moment. Reductions in excess of 6 dB of the peak BVI noise radiated towards the ground were demonstrated by compounding the effect of airframe drag and pitching moment simultaneously.

Jet-hadron correlations relative to the event plane at the LHC with ALICE

NASA Astrophysics Data System (ADS)

Mazer, Joel; Alice Collaboration

2017-11-01

In ultra relativistic heavy-ion collisions at the Large Hadron Collider (LHC), conditions are met to produce a hot, dense and strongly interacting medium known as the Quark Gluon Plasma (QGP). Quarks and gluons from incoming nuclei collide to produce partons at high momenta early in the collisions. By fragmenting into collimated sprays of hadrons, these partons form 'jets'. The outgoing partons scatter and interact with the medium, leading to a manifestation of medium modifications of jets in the final state, known as jet quenching. Within the framework of perturbative QCD, jet production is well understood in pp collisions. We use jets measured in pp interactions as a baseline reference for comparing to heavy-ion collision systems to detect and study jet quenching. The jet quenching mechanism can be studied through the angular correlations of jets with charged hadrons and is examined in transverse momentum (pT) bins of the jets, pT bins of the associated hadrons, and as a function of collision centrality. A robust and precise background subtraction method is used in this analysis to remove the complex, flow dominated, heavy-ion background. The analysis of angular correlations for different orientations of the jet relative to the event plane allows for the study of the path-length dependence of medium modifications to jets. The event plane dependence of azimuthal angular correlations of charged hadrons with respect to the axis of an R = 0.2 reconstructed full (charged + neutral) jet in Pb-Pb collisions at √{sNN} = 2.76 TeV in ALICE is presented. Results are compared for three angular bins of the jet relative to the event plane in mid-peripheral events. The yields relative to the event plane are presented and then quantified through yield ratio calculations. The results show no significant path-length dependence on the medium modifications.

Cavity enhanced interference of orthogonal modes in a birefringent medium

NASA Astrophysics Data System (ADS)

Kolluru, Kiran; Saha, Sudipta; Gupta, S. Dutta

2018-03-01

Interference of orthogonal modes in a birefringent crystal mediated by a rotator is known to lead to interesting physical effects (Solli et al., 2003). In this paper we show that additional feedback offered by a Fabry-Perot cavity (containing the birefringent crystal and the rotator) can lead to a novel strong interaction regime. Usual signatures of the strong interaction regime like the normal mode splitting and avoided crossings, sensitive to the rotator orientation, are reported. A high finesse cavity is shown to offer an optical setup for measuring small angles. The results are based on direct calculations of the cavity transmissions along with an analysis of its dispersion relation.

Diversity and Hierarchy in Supramolecular Assemblies of Triphenylalanine: From Laminated Helical Ribbons to Toroids.

PubMed

Mayans, Enric; Casanovas, Jordi; Gil, Ana M; Jiménez, Ana I; Cativiela, Carlos; Puiggalí, Jordi; Alemán, Carlos

2017-04-25

Microstructures from small phenylalanine-based peptides have attracted great attention lately because these compounds are considered to be a new class of tunable materials. In spite of the extensive studies on uncapped diphenylalanine and tetraphenylalanine peptides, studies on the self-assembly of uncapped triphenylananine (FFF) are very scarce and nonsystematic. In this work, we demonstrate that FFF assemblies can organize in a wide number of well-defined supramolecular structures, which include laminated helical-ribbons, leaflike dendrimers, doughnut-, needle-, and flower-shapes. These organizations are produced by the attractive or repulsive interactions between already formed assemblies and therefore can be controlled through the choice of solvents used as the incubation medium. Thus, the formation of the desired supramolecular structures is regulated through the protonation/deprotonation of the terminal groups, the polarity of the incubation medium, which affects both peptide···solvent interactions and the cavity solvation energy (i.e., solvent···solvent interactions), and the steric interactions between own assemblies that act as building blocks. Finally, the β-sheet disposition in the latter structural motifs has been examined using both theoretical calculations and Fourier transform infrared spectroscopy. Results indicate that FFF molecules can adopt both parallel and antiparallel β-sheets. However, the former one is the most energetically favored because of the formation of π-π stacking interactions between the aromatic rings of hydrogen-bonded strands.

Medium-energy electrons and heavy ions in Jupiter's magnetosphere - Effects of lower hybrid wave-particle interactions

NASA Technical Reports Server (NTRS)

Barbosa, D. D.

1986-01-01

A theory of medium-energy (about keV) electrons and heavy ions in Jupiter's magnetosphere is presented. Lower hybrid waves are generated by the combined effects of a ring instability of neutral wind pickup ions and the modified two-stream instability associated with transport of cool Iogenic plasma. The quasi-linear energy diffusion coefficient for lower hybrid wave-particle interactions is evaluated, and several solutions to the diffusion equation are given. Calculations based on measured wave properties show that the noise substantially modifies the particle distribution functions. The effects are to accelerate superthermal ions and electrons to keV energies and to thermalize the pickup ions on time scales comparable to the particle residence time. The S(2+)/S(+) ratio at medium energies is a measure of the relative contribution from Iogenic thermal plasma and neutral wind ions, and this important quantity should be determined from future measurements. The theory also predicts a preferential acceleration of heavy ions with an accleration time that scales inversely with the root of the ion mass. Electrons accelerated by the process contribute to further reionization of the neutral wind by electron impact, thus providing a possible confirmation of Alfven's critical velocity effect in the Jovian magnetosphere.

Evaluating the DLVO Model for Non-Aqueous Colloidal Suspensions

NASA Astrophysics Data System (ADS)

DeCarlo, Keith Joseph

Application of DLVO (Derjaguin, Landau, Verwey, and Overbeek) theory for suspensions utilizing non-aqueous suspension mediums has been tested. Prediction of suspension stability using DLVO theory requires the calculation of the attractive and repulsive forces between the suspended colloids and that the only significant stabilization mechanism present is electrostatic stabilization which was tested. The van der Waals attractive potential was calculated for 12 different colloids in 11 suspending mediums in accord with Lifshitz's treatment and a new approximation proposing that the material bandgap energy can be used to approximate the Hamaker constant was developed. This treatment requires the complete knowledge of the permittivity as a function of frequency for all the components in the respective suspension. The permittivity data was simplified using a damped oscillator model described by Ninham and Parsegian. All permittivity data was compiled from the literature. Microwave data was tabulated by NIST, infrared parameters were determined from FTIR data, and the ultraviolet/visual parameters were determined via Cauchy plots or estimated by the bandgap. Using the bandgap to approximate the ultraviolet/visual parameters proved to be more accurate than other approximations when compared to the accepted values. It was found that the non-oxide and non-stoichiometric colloids tested had the largest associated van der Waals attractive force. The van der Waals potential calculated for oxide particles was found to follow a direct relationship with the ionic character of the bonding. Repulsive forces were calculated for 12 different colloids in 11 suspending mediums. The calculated repulsive potential generated is a function of both the magnitude of charge generated on each colloid (zeta-potential) and the size of the interacting double-layers. zeta-potential was measured for each suspension using a microelectrophoretic technique and the double-layer thickness was calculated. It was demonstrated that as the polarity of the suspending medium increased, the thickness of the double-layer also increased. A large double-layer thickness was found to directly correlate to the suspension stability. A large double-layer thickness results in a decreased slope of the charge degradation from the colloidal surface to the bulk suspension. This coupled with a large magnitude of surface charge increases the probability of dispersion. Through viscosity measurements, the stability mechanism of each suspension was determined by comparison of the viscosity at a shear rate of 1.0s -1 with the shear thinning exponent. It was determined that, of the suspension mediums tested, heptane, octanoic acid, and poly(ethylene glycol) introduce non-electrostatic stabilization mechanisms significant enough to invalidate the DLVO predictions for suspensions made using those mediums. Consistent with DLVO theory, the total interaction potential was calculated by summation of the repulsive and attractive potentials of each suspension (84 suspensions total) as a function of separation distance. Based upon the results of the summation, the suspension stability can be predicted. 64 of the 84 suspensions were determined to be unstable as the colloids agglomerated in the primary minimum, 11 suspensions were determined to be weakly flocculated, and nine suspensions were found to be stable. Viscosity was used to determine the critical value for the thermal energy barrier and to test the DLVO predictions. The critical value of the thermal energy barrier was found to be 2.0 x 10 -6J/m2. Therefore, for suspensions calculated to have a thermal energy barrier less than the critical value, the Brownian motion of the colloids in suspension at 298K were enough to overcome it, resulting in agglomeration at the primary minimum. For suspensions with a thermal barrier larger than 2.0 x 10-6J/m2, the interacting colloids moved into the secondary energy minimum. All suspensions tested in which the thermal energy barrier was less than 2.0 x 10-6J/m 2 had a specific viscosity at a shear rate of 1.0s-1 greater than the cut-off viscosity for stability. If the colloids moved into the secondary minimum, the resulting suspension was characterized as either being weakly flocculated or stable. Weakly flocculated suspensions had an equilibrium separation distance of colloids less than 40nm resulting in a viscosity at a shear rate of 1.0s-1 larger than the determined specific viscosity cut-off (1.1x 104), but a shear thinning exponent greater than 1.0. Stable suspensions were defined by the colloids as having an equilibrium separation distance greater than 40nm, resulting in viscosity values at a shear rate of 1.0s-1 smaller than that of the determined cut-off viscosity value.

Designing Business System Model using System Modeling Approach to the Small and Medium Enterprises (SME) of Furniture in Indonesia

NASA Astrophysics Data System (ADS)

Sukendar, Irwan; Fatmawati, Wiwiek; Much Ibnu Subroto, Imam; Arigama, Rizki

2017-04-01

This paper studies the design of business system model with System Modeling Approach on small and medium enterprises (SMEs) of furniture. Methods used consists of five phases: phase of identification of business processes actual on SMEs of Furniture, phase of identification of deficiencies and improvement of business processes, phase of design algorithm and flowchart business processes, phase of analysis of the elements of the system, and phase of the design of data flow diagram (DFD), The results of the analysis of the elements of the system are: Products and quantities ordered product consumers and DP paid by consumers identified as elements of system inputs 1,2 and 3. The result of the calculation, payment slips and mail order (SO) are identified as elements of system output 1, 2 and 3. Acceptance of orders, stocks checking of raw materials at the warehouse, calculating raw material requirements, adequacy of raw materials, the price of the contract, and the due date, as well as the submission of the results of calculations to consumers were identified as elements of system components 1, 2, 3, and 4. Admin taking orders, Admin check stocks of raw materials at the warehouse, Admin making calculation, and Admin convey the results of calculations to consumers were identified as an element of interaction system 1, 2, 3, and 4. Consumers were identified as element of environmental systems. Moreover, the boundary between SMEs and consumers were identified as elements of the system boundary.

Effects of nuclear structure in the spin-dependent scattering of weakly interacting massive particles

NASA Astrophysics Data System (ADS)

Nikolaev, M. A.; Klapdor-Kleingrothaus, H. V.

1993-06-01

We present calculations of the nuclear from factors for spin-dependent elastic scattering of dark matter WIMPs from123Te and131Xe isotopes, proposed to be used for dark matter detection. A method based on the theory of finite Fermi systems was used to describe the reduction of the single-particle spin-dependent matrix elements in the nuclear medium. Nucleon single-particle states were calculated in a realistic shell model potential; pairing effects were treated within the BCS model. The coupling of the lowest single-particle levels in123Te to collective 2+ excitations of the core was taken into account phenomenologically. The calculated nuclear form factors are considerably less then the single-particle ones for low momentum transfer. At high momentum transfer some dynamical amplification takes place due to the pion exchange term in the effective nuclear interaction. But as the momentum transfer increases, the difference disappears, the momentum transfer increases and the quenching effect disappears. The shape of the nuclear form factor for the131Xe isotope differs from the one obtained using an oscillator basis.

First-Principles Study on the Ferromagnetism and Curie Temperature of Mn-Doped AlX and InX (X=N, P, As, and Sb)

NASA Astrophysics Data System (ADS)

Sato, Kazunori; Dederichs, Peter H.; Katayama-Yoshida, Hiroshi

2007-02-01

We investigate the electronic structure and magnetic properties of AlN-, AlP-, AlAs-, AlSb-, InN-, InP-, InAs-, and InSb-based dilute magnetic semiconductors (DMS) with Mn impurities from first-principles. The electronic structure of DMS is calculated by using the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) method in connection with the local density approximation (LDA) and the LDA+U method. Describing the magnetic properties by a classical Heisenberg model, effective exchange interactions are calculated by applying magnetic force theorem for two impurities embedded in the CPA medium. With the calculated exchange interactions, TC is estimated by using the mean field approximation, the random phase approximation and the Monte Carlo simulation. It is found that the p-d exchange model [Dietl et al.: Science 287 (2000) 1019] is adequate for a limited class of DMS and insufficient to describe the ferromagnetism in wide gap semiconductor based DMS such as (Ga,Mn)N and the presently investigated (Al,Mn)N and (In,Mn)N.

Viscous theory of surface noise interaction phenomena

NASA Technical Reports Server (NTRS)

Yates, J. E.

1980-01-01

A viscous linear surface noise interaction problem is formulated that includes noise production by an oscillating surface, turbulent or vortical interaction with a surface, and scattering of sound by a surface. The importance of viscosity in establishing uniqueness of solution and partitioning of energy into acoustic and vortical modes is discussed. The results of inviscid two dimensional airfoil theory are used to examine the interactive noise problem in the limit of high reduced frequency and small Helmholtz number. It is shown that in the case of vortex interaction with a surface, the noise produced with the full Kutta condition is 3 dB less than the no Kutta condition result. The results of a study of an airfoil oscillating in a medium at rest are discussed. It is concluded that viscosity can be a controlling factor in analyses and experiments of surface noise interaction phenomena and that the effect of edge bluntness as well as viscosity must be included in the problem formulation to correctly calculate the interactive noise.

Anomalously slow relaxation of the system of liquid clusters in a disordered nanoporous medium according to the self-organized criticality scenario

NASA Astrophysics Data System (ADS)

Borman, V. D.; Tronin, V. N.; Byrkin, V. A.

2016-04-01

We propose a physical model of a relaxation of states of clusters of nonwetting liquid confined in a random nanoporous medium. The relaxation is occurred by the self-organized criticality (SOC) scenario. Process is characterized by waiting for fluctuation necessary for overcoming of a local energy barrier with the subsequent avalanche hydrodynamic extrusion of the liquid by surface forces of the nonwetting frame. The dependence of the interaction between local configurations on the number of filled pores belonging to the infinite percolation cluster of filled pores serves as an internal feedback initiating the SOC process. The calculations give a power-law time dependence of the relative volume θ of the confined liquid θ ∼t-ν (ν ∼ 0.2) as in the picture of relaxation in the mean field approximation. The model of the relaxation of the porous medium with the nonwetting liquid demonstrates possible mechanisms and scenarios of SOC for relaxation of other disordered systems.

Electron distribution functions in electric field environments

NASA Technical Reports Server (NTRS)

Rudolph, Terence H.

1991-01-01

The amount of current carried by an electric discharge in its early stages of growth is strongly dependent on its geometrical shape. Discharges with a large number of branches, each funnelling current to a common stem, tend to carry more current than those with fewer branches. The fractal character of typical discharges was simulated using stochastic models based on solutions of the Laplace equation. Extension of these models requires the use of electron distribution functions to describe the behavior of electrons in the undisturbed medium ahead of the discharge. These electrons, interacting with the electric field, determine the propagation of branches in the discharge and the way in which further branching occurs. The first phase in the extension of the referenced models , the calculation of simple electron distribution functions in an air/electric field medium, is discussed. Two techniques are investigated: (1) the solution of the Boltzmann equation in homogeneous, steady state environments, and (2) the use of Monte Carlo simulations. Distribution functions calculated from both techniques are illustrated. Advantages and disadvantages of each technique are discussed.

Study of p-4He total reaction cross-section using Glauber and Coulomb-modified Glauber models

NASA Astrophysics Data System (ADS)

Tag El-Din, Ibrahim M. A.; Taha, M. M.; Hassan, Samia S. A.

2014-02-01

The total nuclear reaction cross-section σR for p-4He in the energy range from 25 MeV to 1000 MeV is calculated within Glauber and Coulomb-modified Glauber models. The Coulomb-modified Glauber model (CMGM) is introduced via modification of the Coulomb trajectory of the projectile from a straight line, and calculation of the effective radius of interaction. The effects of in-medium nucleon-nucleon (NN) total cross-section, phase variation, high order momentum transfer component of nucleon-nucleon elastic scattering amplitude and Pauli blocking are studied. It is pointed out that the phase variation of the nucleon-nucleon amplitude plays a significant role in describing σR with γ = -1.6 fm2 at in-medium nuclear density ϱ = 0 and γ = -2 fm2 at ϱ = 0.17 fm-3 in the whole energy range. A remarkable fit to the available experimental data is obtained by invoking Pauli blocking and high order momentum transfer of nucleon-nucleon (NN) elastic scattering amplitude for Ep < 100 MeV.

Astrophysical gamma-ray production by inverse Compton interactions of relativistic electrons

NASA Technical Reports Server (NTRS)

Schlickeiser, R.

1979-01-01

The inverse Compton scattering of background photon gases by relativistic electrons is a good candidate for the production of high-energy gamma rays in the diffuse interstellar medium as well as in discrete sources. By discussing the special case of the scattering of the diffuse starlight in the interstellar medium by cosmic ray electrons, we demonstrate that previous derivations of the gamma ray source function for this process on the basis of the Thomson limit of the Klein-Nishina cross section lead to incorrect values for gamma-ray energies above 100 MeV. It is shown that the Thomson limit is not applicable for the calculation of gamma-ray source functions in astrophysical circumstances in which target photons with energies greater than 1 eV are scattered by relativistic electrons.

Numerical solution to the glancing sidewall oblique shock wave/turbulent boundary layer interaction in three dimension

NASA Technical Reports Server (NTRS)

Anderson, B. H.; Benson, T. J.

1983-01-01

A supersonic three-dimensional viscous forward-marching computer design code called PEPSIS is used to obtain a numerical solution of the three-dimensional problem of the interaction of a glancing sidewall oblique shock wave and a turbulent boundary layer. Very good results are obtained for a test case that was run to investigate the use of the wall-function boundary-condition approximation for a highly complex three-dimensional shock-boundary layer interaction. Two additional test cases (coarse mesh and medium mesh) are run to examine the question of near-wall resolution when no-slip boundary conditions are applied. A comparison with experimental data shows that the PEPSIS code gives excellent results in general and is practical for three-dimensional supersonic inlet calculations.

Numerical solution to the glancing sidewall oblique shock wave/turbulent boundary layer interaction in three-dimension

NASA Technical Reports Server (NTRS)

Anderson, B. H.; Benson, T. J.

1983-01-01

A supersonic three-dimensional viscous forward-marching computer design code called PEPSIS is used to obtain a numerical solution of the three-dimensional problem of the interaction of a glancing sidewall oblique shock wave and a turbulent boundary layer. Very good results are obtained for a test case that was run to investigate the use of the wall-function boundary-condition approximation for a highly complex three-dimensional shock-boundary layer interaction. Two additional test cases (coarse mesh and medium mesh) are run to examine the question of near-wall resolution when no-slip boundary conditions are applied. A comparison with experimental data shows that the PEPSIS code gives excellent results in general and is practical for three-dimensional supersonic inlet calculations.

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

Moradi, Afshin, E-mail: a.moradi@kut.ac.ir; Department of Nano Sciences, Institute for Studies in Theoretical Physics and Mathematics; Zangeneh, Hamid Reza

We develop an effective medium theory to obtain effective permittivity of a composite of two-dimensional (2D) aligned single-walled carbon nanotubes. Electronic excitations on each nanotube surface are modeled by an infinitesimally thin layer of a 2D electron gas represented by two interacting fluids, which takes into account different nature of the σ and π electrons. Calculations of both real and imaginary parts of the effective dielectric function of the system are presented, for different values of the filling factor and radius of carbon nanotubes.

Pseudoscalar D and B mesons in the hot dense and nonstrange symmetric medium

NASA Astrophysics Data System (ADS)

Chhabra, Rahul; Kumar, Arvind

2017-01-01

We investigate the effect of temperature and density on the shift in the masses and decay constants of the pseudoscalar D and B mesons in the nonstrange symmetric medium. We use chiral SU(3) model to calculate the medium modified scalar and isoscalar fields σ, ζ, δ and χ. We use these modified fields to calculate the in-medium quark and gluon condensates by solving the coupled equations of motions in the chiral SU(3) model. We obtain the medium modified mass and decay constant through these medium modified condensates using the QCD sum rules. Further we use the 3P0 model by taking the internal structure of the mesons to calculate the in-medium decay width of the higher charmonium states χ(3556) , ψ(3686) and ψ(3770) to the D D pairs, through the in-medium mass of D meson and neglecting the mass modification of higher charmonium states. We also compare the present data with the previous results. These results of present investigation may be important to explain the possible outcomes of the experiments like CBM, Panda at GSI.

D -meson production in p -Pb collisions at √{sNN}=5.02 TeV and in p p collisions at √{s }=7 TeV

NASA Astrophysics Data System (ADS)

Adam, J.; Adamová, D.; Aggarwal, M. M.; Aglieri Rinella, G.; Agnello, M.; Agrawal, N.; Ahammed, Z.; Ahmad, S.; Ahn, S. U.; Aiola, S.; Akindinov, A.; Alam, S. N.; Albuquerque, D. S. D.; Aleksandrov, D.; Alessandro, B.; Alexandre, D.; Alfaro Molina, R.; Alici, A.; Alkin, A.; Alme, J.; Alt, T.; Altinpinar, S.; Altsybeev, I.; Alves Garcia Prado, C.; Andrei, C.; Andronic, A.; Anguelov, V.; Antičić, T.; Antinori, F.; Antonioli, P.; Aphecetche, L.; Appelshäuser, H.; Arcelli, S.; Arnaldi, R.; Arnold, O. W.; Arsene, I. C.; Arslandok, M.; Audurier, B.; Augustinus, A.; Averbeck, R.; Azmi, M. D.; Badalà, A.; Baek, Y. W.; Bagnasco, S.; Bailhache, R.; Bala, R.; Balasubramanian, S.; Baldisseri, A.; Baral, R. C.; Barbano, A. M.; Barbera, R.; Barile, F.; Barnaföldi, G. G.; Barnby, L. S.; Barret, V.; Bartalini, P.; Barth, K.; Bartke, J.; Bartsch, E.; Basile, M.; Bastid, N.; Basu, S.; Bathen, B.; Batigne, G.; Batista Camejo, A.; Batyunya, B.; Batzing, P. C.; Bearden, I. G.; Beck, H.; Bedda, C.; Behera, N. K.; Belikov, I.; Bellini, F.; Bello Martinez, H.; Bellwied, R.; Belmont, R.; Belmont-Moreno, E.; Beltran, L. G. E.; Belyaev, V.; Bencedi, G.; Beole, S.; Berceanu, I.; Bercuci, A.; Berdnikov, Y.; Berenyi, D.; Bertens, R. A.; Berzano, D.; Betev, L.; Bhasin, A.; Bhat, I. R.; Bhati, A. K.; Bhattacharjee, B.; Bhom, J.; Bianchi, L.; Bianchi, N.; Bianchin, C.; Bielčík, J.; Bielčíková, J.; Bilandzic, A.; Biro, G.; Biswas, R.; Biswas, S.; Bjelogrlic, S.; Blair, J. T.; Blau, D.; Blume, C.; Bock, F.; Bogdanov, A.; Bøggild, H.; Boldizsár, L.; Bombara, M.; Bonora, M.; Book, J.; Borel, H.; Borissov, A.; Borri, M.; Bossú, F.; Botta, E.; Bourjau, C.; Braun-Munzinger, P.; Bregant, M.; Breitner, T.; Broker, T. A.; Browning, T. A.; Broz, M.; Brucken, E. J.; Bruna, E.; Bruno, G. E.; Budnikov, D.; Buesching, H.; Bufalino, S.; Buncic, P.; Busch, O.; Buthelezi, Z.; Butt, J. B.; Buxton, J. T.; Cabala, J.; Caffarri, D.; Cai, X.; Caines, H.; Calero Diaz, L.; Caliva, A.; Calvo Villar, E.; Camerini, P.; Carena, F.; Carena, W.; Carnesecchi, F.; Castillo Castellanos, J.; Castro, A. J.; Casula, E. A. R.; Ceballos Sanchez, C.; Cepila, J.; Cerello, P.; Cerkala, J.; Chang, B.; Chapeland, S.; Chartier, M.; Charvet, J. L.; Chattopadhyay, S.; Chattopadhyay, S.; Chauvin, A.; Chelnokov, V.; Cherney, M.; Cheshkov, C.; Cheynis, B.; Chibante Barroso, V.; Chinellato, D. D.; Cho, S.; Chochula, P.; Choi, K.; Chojnacki, M.; Choudhury, S.; Christakoglou, P.; Christensen, C. H.; Christiansen, P.; Chujo, T.; Chung, S. U.; Cicalo, C.; Cifarelli, L.; Cindolo, F.; Cleymans, J.; Colamaria, F.; Colella, D.; Collu, A.; Colocci, M.; Conesa Balbastre, G.; Conesa Del Valle, Z.; Connors, M. E.; Contreras, J. G.; Cormier, T. M.; Corrales Morales, Y.; Cortés Maldonado, I.; Cortese, P.; Cosentino, M. R.; Costa, F.; Crkovska, J.; Crochet, P.; Cruz Albino, R.; Cuautle, E.; Cunqueiro, L.; Dahms, T.; Dainese, A.; Danisch, M. C.; Danu, A.; Das, D.; Das, I.; Das, S.; Dash, A.; Dash, S.; de, S.; de Caro, A.; de Cataldo, G.; de Conti, C.; de Cuveland, J.; de Falco, A.; de Gruttola, D.; De Marco, N.; de Pasquale, S.; de Souza, R. D.; Deisting, A.; Deloff, A.; Dénes, E.; Deplano, C.; Dhankher, P.; di Bari, D.; di Mauro, A.; di Nezza, P.; di Ruzza, B.; Diaz Corchero, M. A.; Dietel, T.; Dillenseger, P.; Divià, R.; Djuvsland, Ø.; Dobrin, A.; Domenicis Gimenez, D.; Dönigus, B.; Dordic, O.; Drozhzhova, T.; Dubey, A. K.; Dubla, A.; Ducroux, L.; Dupieux, P.; Ehlers, R. J.; Elia, D.; Endress, E.; Engel, H.; Epple, E.; Erazmus, B.; Erdemir, I.; Erhardt, F.; Espagnon, B.; Estienne, M.; Esumi, S.; Eum, J.; Evans, D.; Evdokimov, S.; Eyyubova, G.; Fabbietti, L.; Fabris, D.; Faivre, J.; Fantoni, A.; Fasel, M.; Feldkamp, L.; Feliciello, A.; Feofilov, G.; Ferencei, J.; Fernández Téllez, A.; Ferreiro, E. G.; Ferretti, A.; Festanti, A.; Feuillard, V. J. G.; Figiel, J.; Figueredo, M. A. S.; Filchagin, S.; Finogeev, D.; Fionda, F. M.; Fiore, E. M.; Fleck, M. G.; Floris, M.; Foertsch, S.; Foka, P.; Fokin, S.; Fragiacomo, E.; Francescon, A.; Francisco, A.; Frankenfeld, U.; Fronze, G. G.; Fuchs, U.; Furget, C.; Furs, A.; Fusco Girard, M.; Gaardhøje, J. J.; Gagliardi, M.; Gago, A. M.; Gajdosova, K.; Gallio, M.; Galvan, C. D.; Gangadharan, D. R.; Ganoti, P.; Gao, C.; Garabatos, C.; Garcia-Solis, E.; Gargiulo, C.; Gasik, P.; Gauger, E. F.; Germain, M.; Gheata, M.; Ghosh, P.; Ghosh, S. K.; Gianotti, P.; Giubellino, P.; Giubilato, P.; Gladysz-Dziadus, E.; Glässel, P.; Goméz Coral, D. M.; Gomez Ramirez, A.; Gonzalez, A. S.; Gonzalez, V.; González-Zamora, P.; Gorbunov, S.; Görlich, L.; Gotovac, S.; Grabski, V.; Grachov, O. A.; Graczykowski, L. K.; Graham, K. L.; Grelli, A.; Grigoras, A.; Grigoras, C.; Grigoriev, V.; Grigoryan, A.; Grigoryan, S.; Grinyov, B.; Grion, N.; Gronefeld, J. M.; Grosa, F.; Grosse-Oetringhaus, J. F.; Grosso, R.; Gruber, L.; Guber, F.; Guernane, R.; Guerzoni, B.; Gulbrandsen, K.; Gunji, T.; Gupta, A.; Gupta, R.; Haake, R.; Hadjidakis, C.; Haiduc, M.; Hamagaki, H.; Hamar, G.; Hamon, J. C.; Harris, J. W.; Harton, A.; Hatzifotiadou, D.; Hayashi, S.; Heckel, S. T.; Hellbär, E.; Helstrup, H.; Herghelegiu, A.; Herrera Corral, G.; Hess, B. A.; Hetland, K. F.; Hillemanns, H.; Hippolyte, B.; Horak, D.; Hosokawa, R.; Hristov, P.; Hughes, C.; Humanic, T. J.; Hussain, N.; Hussain, T.; Hutter, D.; Hwang, D. S.; Ilkaev, R.; Inaba, M.; Incani, E.; Ippolitov, M.; Irfan, M.; Isakov, V.; Ivanov, M.; Ivanov, V.; Izucheev, V.; Jacak, B.; Jacazio, N.; Jacobs, P. M.; Jadhav, M. B.; Jadlovska, S.; Jadlovsky, J.; Jahnke, C.; Jakubowska, M. J.; Janik, M. A.; Jayarathna, P. H. S. Y.; Jena, C.; Jena, S.; Jimenez Bustamante, R. T.; Jones, P. G.; Jusko, A.; Kalinak, P.; Kalweit, A.; Kang, J. H.; Kaplin, V.; Kar, S.; Karasu Uysal, A.; Karavichev, O.; Karavicheva, T.; Karayan, L.; Karpechev, E.; Kebschull, U.; Keidel, R.; Keijdener, D. L. D.; Keil, M.; Mohisin Khan, M.; Khan, P.; Khan, S. A.; Khanzadeev, A.; Kharlov, Y.; Khatun, A.; Kileng, B.; Kim, D. W.; Kim, D. J.; Kim, D.; Kim, H.; Kim, J. S.; Kim, J.; Kim, M.; Kim, S.; Kim, T.; Kirsch, S.; Kisel, I.; Kiselev, S.; Kisiel, A.; Kiss, G.; Klay, J. L.; Klein, C.; Klein, J.; Klein-Bösing, C.; Klewin, S.; Kluge, A.; Knichel, M. L.; Knospe, A. G.; Kobdaj, C.; Kofarago, M.; Kollegger, T.; Kolojvari, A.; Kondratiev, V.; Kondratyeva, N.; Kondratyuk, E.; Konevskikh, A.; Kopcik, M.; Kour, M.; Kouzinopoulos, C.; Kovalenko, O.; Kovalenko, V.; Kowalski, M.; Koyithatta Meethaleveedu, G.; Králik, I.; Kravčáková, A.; Krivda, M.; Krizek, F.; Kryshen, E.; Krzewicki, M.; Kubera, A. M.; Kučera, V.; Kuhn, C.; Kuijer, P. G.; Kumar, A.; Kumar, J.; Kumar, L.; Kumar, S.; Kurashvili, P.; Kurepin, A.; Kurepin, A. B.; Kuryakin, A.; Kweon, M. J.; Kwon, Y.; La Pointe, S. L.; La Rocca, P.; Ladron de Guevara, P.; Lagana Fernandes, C.; Lakomov, I.; Langoy, R.; Lapidus, K.; Lara, C.; Lardeux, A.; Lattuca, A.; Laudi, E.; Lea, R.; Leardini, L.; Lee, S.; Lehas, F.; Lehner, S.; Lemmon, R. C.; Lenti, V.; Leogrande, E.; León Monzón, I.; León Vargas, H.; Leoncino, M.; Lévai, P.; Li, S.; Li, X.; Lien, J.; Lietava, R.; Lindal, S.; Lindenstruth, V.; Lippmann, C.; Lisa, M. A.; Ljunggren, H. M.; Lodato, D. F.; Loenne, P. I.; Loginov, V.; Loizides, C.; Lopez, X.; López Torres, E.; Lowe, A.; Luettig, P.; Lunardon, M.; Luparello, G.; Lupi, M.; Lutz, T. H.; Maevskaya, A.; Mager, M.; Mahajan, S.; Mahmood, S. M.; Maire, A.; Majka, R. D.; Malaev, M.; Maldonado Cervantes, I.; Malinina, L.; Mal'Kevich, D.; Malzacher, P.; Mamonov, A.; Manko, V.; Manso, F.; Manzari, V.; Mao, Y.; Marchisone, M.; Mareš, J.; Margagliotti, G. V.; Margotti, A.; Margutti, J.; Marín, A.; Markert, C.; Marquard, M.; Martin, N. A.; Martinengo, P.; Martínez, M. I.; Martínez García, G.; Martinez Pedreira, M.; Mas, A.; Masciocchi, S.; Masera, M.; Masoni, A.; Mastroserio, A.; Matyja, A.; Mayer, C.; Mazer, J.; Mazzoni, M. A.; McDonald, D.; Meddi, F.; Melikyan, Y.; Menchaca-Rocha, A.; Meninno, E.; Mercado Pérez, J.; Meres, M.; Mhlanga, S.; Miake, Y.; Mieskolainen, M. M.; Mikhaylov, K.; Milano, L.; Milosevic, J.; Mischke, A.; Mishra, A. N.; Miśkowiec, D.; Mitra, J.; Mitu, C. M.; Mohammadi, N.; Mohanty, B.; Mohler, C.; Molnar, L.; Montaño Zetina, L.; Montes, E.; Moreira de Godoy, D. A.; Moreno, L. A. P.; Moretto, S.; Morreale, A.; Morsch, A.; Muccifora, V.; Mudnic, E.; Mühlheim, D.; Muhuri, S.; Mukherjee, M.; Mulligan, J. D.; Munhoz, M. G.; Münning, K.; Munzer, R. H.; Murakami, H.; Murray, S.; Musa, L.; Musinsky, J.; Naik, B.; Nair, R.; Nandi, B. K.; Nania, R.; Nappi, E.; Naru, M. U.; Natal da Luz, H.; Nattrass, C.; Navarro, S. R.; Nayak, K.; Nayak, R.; Nayak, T. K.; Nazarenko, S.; Nedosekin, A.; Negrao de Oliveira, R. A.; Nellen, L.; Ng, F.; Nicassio, M.; Niculescu, M.; Niedziela, J.; Nielsen, B. S.; Nikolaev, S.; Nikulin, S.; Nikulin, V.; Noferini, F.; Nomokonov, P.; Nooren, G.; Noris, J. C. C.; Norman, J.; Nyanin, A.; Nystrand, J.; Oeschler, H.; Oh, S.; Oh, S. K.; Ohlson, A.; Okatan, A.; Okubo, T.; Oleniacz, J.; Oliveira da Silva, A. C.; Oliver, M. H.; Onderwaater, J.; Oppedisano, C.; Orava, R.; Oravec, M.; Ortiz Velasquez, A.; Oskarsson, A.; Otwinowski, J.; Oyama, K.; Ozdemir, M.; Pachmayer, Y.; Pagano, D.; Pagano, P.; Paić, G.; Pal, S. K.; Palni, P.; Pan, J.; Pandey, A. K.; Papikyan, V.; Pappalardo, G. S.; Pareek, P.; Park, W. J.; Parmar, S.; Passfeld, A.; Paticchio, V.; Patra, R. N.; Paul, B.; Pei, H.; Peitzmann, T.; Peng, X.; Pereira da Costa, H.; Peresunko, D.; Perez Lezama, E.; Peskov, V.; Pestov, Y.; Petráček, V.; Petrov, V.; Petrovici, M.; Petta, C.; Piano, S.; Pikna, M.; Pillot, P.; Pimentel, L. O. D. L.; Pinazza, O.; Pinsky, L.; Piyarathna, D. B.; Płoskoń, M.; Planinic, M.; Pluta, J.; Pochybova, S.; Podesta-Lerma, P. L. M.; Poghosyan, M. G.; Polichtchouk, B.; Poljak, N.; Poonsawat, W.; Pop, A.; Poppenborg, H.; Porteboeuf-Houssais, S.; Porter, J.; Pospisil, J.; Prasad, S. K.; Preghenella, R.; Prino, F.; Pruneau, C. A.; Pshenichnov, I.; Puccio, M.; Puddu, G.; Pujahari, P.; Punin, V.; Putschke, J.; Qvigstad, H.; Rachevski, A.; Raha, S.; Rajput, S.; Rak, J.; Rakotozafindrabe, A.; Ramello, L.; Rami, F.; Raniwala, R.; Raniwala, S.; Räsänen, S. S.; Rascanu, B. T.; Rathee, D.; Ravasenga, I.; Read, K. F.; Redlich, K.; Reed, R. J.; Rehman, A.; Reichelt, P.; Reidt, F.; Ren, X.; Renfordt, R.; Reolon, A. R.; Reshetin, A.; Reygers, K.; Riabov, V.; Ricci, R. A.; Richert, T.; Richter, M.; Riedler, P.; Riegler, W.; Riggi, F.; Ristea, C.; Rodríguez Cahuantzi, M.; Rodriguez Manso, A.; Røed, K.; Rogochaya, E.; Rohr, D.; Röhrich, D.; Ronchetti, F.; Ronflette, L.; Rosnet, P.; Rossi, A.; Roukoutakis, F.; Roy, A.; Roy, C.; Roy, P.; Rubio Montero, A. J.; Rui, R.; Russo, R.; Ryabinkin, E.; Ryabov, Y.; Rybicki, A.; Saarinen, S.; Sadhu, S.; Sadovsky, S.; Šafařík, K.; Sahlmuller, B.; Sahoo, P.; Sahoo, R.; Sahoo, S.; Sahu, P. K.; Saini, J.; Sakai, S.; Saleh, M. A.; Salzwedel, J.; Sambyal, S.; Samsonov, V.; Šándor, L.; Sandoval, A.; Sano, M.; Sarkar, D.; Sarkar, N.; Sarma, P.; Scapparone, E.; Scarlassara, F.; Schiaua, C.; Schicker, R.; Schmidt, C.; Schmidt, H. R.; Schmidt, M.; Schuchmann, S.; Schukraft, J.; Schutz, Y.; Schwarz, K.; Schweda, K.; Scioli, G.; Scomparin, E.; Scott, R.; Šefčík, M.; Seger, J. E.; Sekiguchi, Y.; Sekihata, D.; Selyuzhenkov, I.; Senosi, K.; Senyukov, S.; Serradilla, E.; Sevcenco, A.; Shabanov, A.; Shabetai, A.; Shadura, O.; Shahoyan, R.; Shangaraev, A.; Sharma, A.; Sharma, M.; Sharma, M.; Sharma, N.; Sheikh, A. I.; Shigaki, K.; Shou, Q.; Shtejer, K.; Sibiriak, Y.; Siddhanta, S.; Sielewicz, K. M.; Siemiarczuk, T.; Silvermyr, D.; Silvestre, C.; Simatovic, G.; Simonetti, G.; Singaraju, R.; Singh, R.; Singhal, V.; Sinha, T.; Sitar, B.; Sitta, M.; Skaali, T. B.; Slupecki, M.; Smirnov, N.; Snellings, R. J. M.; Snellman, T. W.; Song, J.; Song, M.; Song, Z.; Soramel, F.; Sorensen, S.; Sozzi, F.; Spiriti, E.; Sputowska, I.; Spyropoulou-Stassinaki, M.; Stachel, J.; Stan, I.; Stankus, P.; Stenlund, E.; Steyn, G.; Stiller, J. H.; Stocco, D.; Strmen, P.; Suaide, A. A. P.; Sugitate, T.; Suire, C.; Suleymanov, M.; Suljic, M.; Sultanov, R.; Šumbera, M.; Sumowidagdo, S.; Szabo, A.; Szarka, I.; Szczepankiewicz, A.; Szymanski, M.; Tabassam, U.; Takahashi, J.; Tambave, G. J.; Tanaka, N.; Tarhini, M.; Tariq, M.; Tarzila, M. G.; Tauro, A.; Tejeda Muñoz, G.; Telesca, A.; Terasaki, K.; Terrevoli, C.; Teyssier, B.; Thäder, J.; Thakur, D.; Thomas, D.; Tieulent, R.; Tikhonov, A.; Timmins, A. R.; Toia, A.; Trogolo, S.; Trombetta, G.; Trubnikov, V.; Trzaska, W. H.; Tsuji, T.; Tumkin, A.; Turrisi, R.; Tveter, T. S.; Ullaland, K.; Uras, A.; Usai, G. L.; Utrobicic, A.; Vala, M.; Valencia Palomo, L.; van der Maarel, J.; van Hoorne, J. W.; van Leeuwen, M.; Vanat, T.; Vande Vyvre, P.; Varga, D.; Vargas, A.; Vargyas, M.; Varma, R.; Vasileiou, M.; Vasiliev, A.; Vauthier, A.; Vázquez Doce, O.; Vechernin, V.; Veen, A. M.; Velure, A.; Vercellin, E.; Vergara Limón, S.; Vernet, R.; Vickovic, L.; Viinikainen, J.; Vilakazi, Z.; Villalobos Baillie, O.; Villatoro Tello, A.; Vinogradov, A.; Vinogradov, L.; Virgili, T.; Vislavicius, V.; Viyogi, Y. P.; Vodopyanov, A.; Völkl, M. A.; Voloshin, K.; Voloshin, S. A.; Volpe, G.; von Haller, B.; Vorobyev, I.; Vranic, D.; Vrláková, J.; Vulpescu, B.; Wagner, B.; Wagner, J.; Wang, H.; Wang, M.; Watanabe, D.; Watanabe, Y.; Weber, M.; Weber, S. G.; Weiser, D. F.; Wessels, J. P.; Westerhoff, U.; Whitehead, A. M.; Wiechula, J.; Wikne, J.; Wilk, G.; Wilkinson, J.; Willems, G. A.; Williams, M. C. S.; Windelband, B.; Winn, M.; Yalcin, S.; Yang, P.; Yano, S.; Yin, Z.; Yokoyama, H.; Yoo, I.-K.; Yoon, J. H.; Yurchenko, V.; Zaborowska, A.; Zaccolo, V.; Zaman, A.; Zampolli, C.; Zanoli, H. J. C.; Zaporozhets, S.; Zardoshti, N.; Zarochentsev, A.; Závada, P.; Zaviyalov, N.; Zbroszczyk, H.; Zgura, I. S.; Zhalov, M.; Zhang, H.; Zhang, X.; Zhang, Y.; Zhang, C.; Zhang, Z.; Zhao, C.; Zhigareva, N.; Zhou, D.; Zhou, Y.; Zhou, Z.; Zhu, H.; Zhu, J.; Zichichi, A.; Zimmermann, A.; Zimmermann, M. B.; Zinovjev, G.; Zyzak, M.; Alice Collaboration

2016-11-01

Background: In the context of the investigation of the quark gluon plasma produced in heavy-ion collisions, hadrons containing heavy (charm or beauty) quarks play a special role for the characterization of the hot and dense medium created in the interaction. The measurement of the production of charm and beauty hadrons in proton-proton collisions, besides providing the necessary reference for the studies in heavy-ion reactions, constitutes an important test of perturbative quantum chromodynamics (pQCD) calculations. Heavy-flavor production in proton-nucleus collisions is sensitive to the various effects related to the presence of nuclei in the colliding system, commonly denoted cold-nuclear-matter effects. Most of these effects are expected to modify open-charm production at low transverse momenta (pT) and, so far, no measurement of D -meson production down to zero transverse momentum was available at mid-rapidity at the energies attained at the CERN Large Hadron Collider (LHC). Purpose: The measurements of the production cross sections of promptly produced charmed mesons in p -Pb collisions at the LHC down to pT=0 and the comparison to the results from p p interactions are aimed at the assessment of cold-nuclear-matter effects on open-charm production, which is crucial for the interpretation of the results from Pb-Pb collisions. Methods: The prompt charmed mesons D0,D+,D*+, and Ds+ were measured at mid-rapidity in p -Pb collisions at a center-of-mass energy per nucleon pair √{sN N}=5.02 TeV with the ALICE detector at the LHC. D mesons were reconstructed from their decays D0→K-π+ ,D+→K-π+π+, D*+→D0π+ ,Ds+→ϕ π+→K-K+π+ , and their charge conjugates, using an analysis method based on the selection of decay topologies displaced from the interaction vertex. In addition, the prompt D0 production cross section was measured in p p collisions at √{s }=7 TeV and p -Pb collisions at √{sN N}=5.02 TeV down to pT=0 using an analysis technique that is based on the estimation and subtraction of the combinatorial background, without reconstruction of the D0 decay vertex. Results: The production cross section in p p collisions is described within uncertainties by different implementations of pQCD calculations down to pT=0 . This allowed also a determination of the total c c ¯ production cross section in p p collisions, which is more precise than previous ALICE measurements because it is not affected by uncertainties owing to the extrapolation to pT=0 . The nuclear modification factor Rp Pb(pT) , defined as the ratio of the pT-differential D meson cross section in p -Pb collisions and that in p p collisions scaled by the mass number of the Pb nucleus, was calculated for the four D -meson species and found to be compatible with unity within uncertainties. The results are compared to theoretical calculations that include cold-nuclear-matter effects and to transport model calculations incorporating the interactions of charm quarks with an expanding deconfined medium. Conclusions: These measurements add experimental evidence that the modification of the D -meson transverse momentum distributions observed in Pb-Pb collisions with respect to p p interactions is due to strong final-state effects induced by the interactions of the charm quarks with the hot and dense partonic medium created in ultrarelativistic heavy-ion collisions. The current precision of the measurement does not allow us to draw conclusions on the role of the different cold-nuclear-matter effects and on the possible presence of additional hot-medium effects in p -Pb collisions. However, the analysis technique without decay-vertex reconstruction, applied on future larger data samples, should provide access to the physics-rich range down to pT=0 .

D -meson production in p -Pb collisions at s NN = 5.02 TeV and in p p collisions at s = 7 TeV

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

Adam, J.; Adamová, D.; Aggarwal, M. M.

Bmore » ackground: In the context of the investigation of the quark gluon plasma produced in heavy-ion collisions, hadrons containing heavy (charm or beauty) quarks play a special role for the characterization of the hot and dense medium created in the interaction. The measurement of the production of charm and beauty hadrons in proton-proton collisions, besides providing the necessary reference for the studies in heavy-ion reactions, constitutes an important test of perturbative quantum chromodynamics (pQCD) calculations. Heavy-flavor production in proton-nucleus collisions is sensitive to the various effects related to the presence of nuclei in the colliding system, commonly denoted cold-nuclear-matter effects. Most of these effects are expected to modify open-charm production at low transverse momenta (pT) and, so far, no measurement of D-meson production down to zero transverse momentum was available at mid-rapidity at the energies attained at the CERN Large Hadron Collider (LHC). Purpose: The measurements of the production cross sections of promptly produced charmed mesons in p-Pb collisions at the LHC down to pT=0 and the comparison to the results from pp interactions are aimed at the assessment of cold-nuclear-matter effects on open-charm production, which is crucial for the interpretation of the results from Pb-Pb collisions. Methods: The prompt charmed mesons D 0,D +,D⁺+, and D S + were measured at mid-rapidity in p-Pb collisions at a center-of-mass energy per nucleon pair s NN =5.02 TeV with the ALICE detector at the LHC. D mesons were reconstructed from their decays D0→K-π+,D+→K-π+π+, D⁺+→D0π+,Ds+→φπ+→K-K+π+, and their charge conjugates, using an analysis method based on the selection of decay topologies displaced from the interaction vertex. In addition, the prompt D0 production cross section was measured in pp collisions at s NN =7 TeV and p-Pb collisions at s NN =5.02 TeV down to pT=0 using an analysis technique that is based on the estimation and subtraction of the combinatorial background, without reconstruction of the D0 decay vertex. Results: The production cross section in pp collisions is described within uncertainties by different implementations of pQCD calculations down to pT=0. This allowed also a determination of the total cc production cross section in pp collisions, which is more precise than previous ALICE measurements because it is not affected by uncertainties owing to the extrapolation to pT=0. The nuclear modification factor RpPb(pT), defined as the ratio of the pT-differential D meson cross section in p-Pb collisions and that in pp collisions scaled by the mass number of the Pb nucleus, was calculated for the four D-meson species and found to be compatible with unity within uncertainties. The results are compared to theoretical calculations that include cold-nuclear-matter effects and to transport model calculations incorporating the interactions of charm quarks with an expanding deconfined medium. Conclusions: These measurements add experimental evidence that the modification of the D-meson transverse momentum distributions observed in Pb-Pb collisions with respect to pp interactions is due to strong final-state effects induced by the interactions of the charm quarks with the hot and dense partonic medium created in ultrarelativistic heavy-ion collisions. The current precision of the measurement does not allow us to draw conclusions on the role of the different cold-nuclear-matter effects and on the possible presence of additional hot-medium effects in p-Pb collisions. However, the analysis technique without decay-vertex reconstruction, applied on future larger data samples, should provide access to the physics-rich range down to pT=0.« less

D -meson production in p -Pb collisions at s NN = 5.02 TeV and in p p collisions at s = 7 TeV

DOE PAGES

Adam, J.; Adamová, D.; Aggarwal, M. M.; ...

2016-11-23

Bmore » ackground: In the context of the investigation of the quark gluon plasma produced in heavy-ion collisions, hadrons containing heavy (charm or beauty) quarks play a special role for the characterization of the hot and dense medium created in the interaction. The measurement of the production of charm and beauty hadrons in proton-proton collisions, besides providing the necessary reference for the studies in heavy-ion reactions, constitutes an important test of perturbative quantum chromodynamics (pQCD) calculations. Heavy-flavor production in proton-nucleus collisions is sensitive to the various effects related to the presence of nuclei in the colliding system, commonly denoted cold-nuclear-matter effects. Most of these effects are expected to modify open-charm production at low transverse momenta (pT) and, so far, no measurement of D-meson production down to zero transverse momentum was available at mid-rapidity at the energies attained at the CERN Large Hadron Collider (LHC). Purpose: The measurements of the production cross sections of promptly produced charmed mesons in p-Pb collisions at the LHC down to pT=0 and the comparison to the results from pp interactions are aimed at the assessment of cold-nuclear-matter effects on open-charm production, which is crucial for the interpretation of the results from Pb-Pb collisions. Methods: The prompt charmed mesons D 0,D +,D⁺+, and D S + were measured at mid-rapidity in p-Pb collisions at a center-of-mass energy per nucleon pair s NN =5.02 TeV with the ALICE detector at the LHC. D mesons were reconstructed from their decays D0→K-π+,D+→K-π+π+, D⁺+→D0π+,Ds+→φπ+→K-K+π+, and their charge conjugates, using an analysis method based on the selection of decay topologies displaced from the interaction vertex. In addition, the prompt D0 production cross section was measured in pp collisions at s NN =7 TeV and p-Pb collisions at s NN =5.02 TeV down to pT=0 using an analysis technique that is based on the estimation and subtraction of the combinatorial background, without reconstruction of the D0 decay vertex. Results: The production cross section in pp collisions is described within uncertainties by different implementations of pQCD calculations down to pT=0. This allowed also a determination of the total cc production cross section in pp collisions, which is more precise than previous ALICE measurements because it is not affected by uncertainties owing to the extrapolation to pT=0. The nuclear modification factor RpPb(pT), defined as the ratio of the pT-differential D meson cross section in p-Pb collisions and that in pp collisions scaled by the mass number of the Pb nucleus, was calculated for the four D-meson species and found to be compatible with unity within uncertainties. The results are compared to theoretical calculations that include cold-nuclear-matter effects and to transport model calculations incorporating the interactions of charm quarks with an expanding deconfined medium. Conclusions: These measurements add experimental evidence that the modification of the D-meson transverse momentum distributions observed in Pb-Pb collisions with respect to pp interactions is due to strong final-state effects induced by the interactions of the charm quarks with the hot and dense partonic medium created in ultrarelativistic heavy-ion collisions. The current precision of the measurement does not allow us to draw conclusions on the role of the different cold-nuclear-matter effects and on the possible presence of additional hot-medium effects in p-Pb collisions. However, the analysis technique without decay-vertex reconstruction, applied on future larger data samples, should provide access to the physics-rich range down to pT=0.« less

Calculation of electron Dose Point Kernel in water with GEANT4 for medical application

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

Guimaraes, C. C.; Sene, F. F.; Martinelli, J. R.

2009-06-03

The rapid insertion of new technologies in medical physics in the last years, especially in nuclear medicine, has been followed by a great development of faster Monte Carlo algorithms. GEANT4 is a Monte Carlo toolkit that contains the tools to simulate the problems of particle transport through matter. In this work, GEANT4 was used to calculate the dose-point-kernel (DPK) for monoenergetic electrons in water, which is an important reference medium for nuclear medicine. The three different physical models of electromagnetic interactions provided by GEANT4 - Low Energy, Penelope and Standard - were employed. To verify the adequacy of these models,more » the results were compared with references from the literature. For all energies and physical models, the agreement between calculated DPKs and reported values is satisfactory.« less

On the mechanical coupling of a fiber optic cable used for distributed acoustic/vibration sensing applications—a theoretical consideration

NASA Astrophysics Data System (ADS)

Reinsch, Thomas; Thurley, Tom; Jousset, Philippe

2017-12-01

In recent years, fiber optic cables are increasingly used for the acquisition of dynamic strain changes for seismic surveys. When considering seismic amplitudes, one of the first questions arising is the mechanical coupling between optical fiber and the surrounding medium. Here we analyse the interaction of ground movement with a typical telecom-grade fiber optic cable from an existing telecommunication network deployed in a sand filled trench at the surface. Within the cable, the optical fiber is embedded in a gel-filled plastic tube. We apply Hooke’s law to calculate the stress needed to strain the optical fiber throughout the cable structure. In case the stress magnitude at the cable-sand interface as well as the gel-optical fiber interface is below the yield strength of the respective material, sand and gel, it can be regarded as an elastic medium. Hence, a multilayer radial symmetric model can be used to calculate the coupling of the optical fiber with the surrounding medium. We show that the transfer function has a -3 dB lower cut-off wavelength of about 22 m. The magnitude response of this telecom-grade fiber optic cable is therefore almost perfect at typical low frequency seismic waves. The approach presented here can be applied to various cable designs to estimate the strain transfer between ground movement and an optical fiber.

Special features of high-speed interaction of supercavitating solids in water

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

Ishchenko, Aleksandr, E-mail: ichan@niipmm.tsu.ru; Afanas’eva, Svetlana, E-mail: s.a.afanasyeva@mail.ru; Burkin, Viktor, E-mail: v.v.burkin@mail.ru

Special features of material behavior of a supercavitating projectile are investigated at various initial velocities of entering water on the basis of the developed stress-strain state model with possibility of destruction of solids when moving in water and interacting with various underwater barriers with the use of consistent methodological approach of mechanics of continuous media. The calculation-experimental method was used to study the modes of motion of supercavitating projectiles at sub- and supersonic velocities in water medium after acceleration in the barrelled accelerator, as well as their interaction with barriers. Issues of stabilization of the supercavitating projectile on the initialmore » flight path in water were studied. Microphotographs of state of solids made of various materials, before and after interaction with water, at subsonic and supersonic velocities were presented. Supersonic velocity of the supercavitating projectile motion in water of 1590 m/s was recorded.« less

Special features of high-speed interaction of supercavitating solids in water

NASA Astrophysics Data System (ADS)

Ishchenko, Aleksandr; Akinshin, Ruslan; Afanas'eva, Svetlana; Borisenkov, Igor; Burkin, Viktor; Diachkovskii, Aleksei; Korolkov, Leonid; Moiseev, Dmitrii; Khabibullin, Marat

2016-01-01

Special features of material behavior of a supercavitating projectile are investigated at various initial velocities of entering water on the basis of the developed stress-strain state model with possibility of destruction of solids when moving in water and interacting with various underwater barriers with the use of consistent methodological approach of mechanics of continuous media. The calculation-experimental method was used to study the modes of motion of supercavitating projectiles at sub- and supersonic velocities in water medium after acceleration in the barrelled accelerator, as well as their interaction with barriers. Issues of stabilization of the supercavitating projectile on the initial flight path in water were studied. Microphotographs of state of solids made of various materials, before and after interaction with water, at subsonic and supersonic velocities were presented. Supersonic velocity of the supercavitating projectile motion in water of 1590 m/s was recorded.

Auxiliary field diffusion Monte Carlo calculations of light and medium-mass nuclei with local chiral interactions

NASA Astrophysics Data System (ADS)

Lonardoni, D.; Gandolfi, S.; Lynn, J. E.; Petrie, C.; Carlson, J.; Schmidt, K. E.; Schwenk, A.

2018-04-01

Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective-field-theory interactions. In this work, we present a detailed description of the auxiliary field diffusion Monte Carlo algorithm for nuclei in combination with local chiral two- and three-nucleon interactions up to next-to-next-to-leading order. We show results for the binding energy, charge radius, charge form factor, and Coulomb sum rule in nuclei with 3 ≤A ≤16 . Particular attention is devoted to the effect of different operator structures in the three-body force for different cutoffs. The outcomes suggest that local chiral interactions fit to few-body observables give a very good description of the ground-state properties of nuclei up to 16O, with the exception of one fit for the softer cutoff which predicts overbinding in larger nuclei.

Dynamics of entropy and nonclassical properties of the state of a Λ-type three-level atom interacting with a single-mode cavity field with intensity-dependent coupling in a Kerr medium

NASA Astrophysics Data System (ADS)

Faghihi, M. J.; Tavassoly, M. K.

2012-02-01

In this paper, we study the interaction between a three-level atom and a quantized single-mode field with ‘intensity-dependent coupling’ in a ‘Kerr medium’. The three-level atom is considered to be in a Λ-type configuration. Under particular initial conditions, which may be prepared for the atom and the field, the dynamical state vector of the entire system will be explicitly obtained, for the arbitrary nonlinearity function f(n) associated with any physical system. Then, after evaluating the variation of the field entropy against time, we will investigate the quantum statistics as well as some of the nonclassical properties of the introduced state. During our calculations we investigate the effects of intensity-dependent coupling, Kerr medium and detuning parameters on the depth and domain of the nonclassicality features of the atom-field state vector. Finally, we compare our obtained results with those of V-type three-level atoms.

Inhibition of UDP-Glucuronosyltransferase (UGT) Isoforms by Arctiin and Arctigenin.

PubMed

Zhang, Hui; Zhao, Zhenying; Wang, Tao; Wang, Yijia; Cui, Xiao; Zhang, Huijuan; Fang, Zhong-Ze

2016-07-01

Arctiin is the major pharmacological ingredient of Fructus Arctii, and arctigenin is the metabolite of arctiin formed via the catalysis of human intestinal bacteria. The present study aims to investigate the inhibition profile of arctiin and arctigenin on important phase II drug-metabolizing enzymes UDP-glucuronosyltransferases (UGTs), indicating the possible herb-drug interaction. In vitro screening experiment showed that 100 μM of arctiin and arctigenin inhibited the activity of UGT1A3, 1A9, 2B7, and 2B15. Homology modeling-based in silico docking of arctiin and arctigenin into the activity cavity of UGT2B15 showed that hydrogen bonds and hydrophobic interactions contributed to the strong binding free energy of arctiin (-8.14 kcal/mol) and arctigenin (-8.43 kcal/mol) with UGT2B15. Inhibition kinetics study showed that arctiin and arctigenin exerted competitive and noncompetitive inhibition toward UGT2B15, respectively. The inhibition kinetic parameters (Ki ) were calculated to be 16.0 and 76.7 μM for the inhibition of UGT2B15 by arctiin and arctigenin, respectively. Based on the plasma concentration of arctiin and arctigenin after administration of 100 mg/kg of arctiin, the [I]/Ki values were calculated to be 0.3 and 0.007 for arctiin and arctigenin, respectively. Based on the inhibition evaluation standard ([I]/Ki  < 0.1, low possibility; 0.1 < [I]/Ki  < 1, medium possibility; [I]/Ki  > 1, high possibility), arctiin might induce drug-drug interaction with medium possibility. Based on these results, clinical monitoring the utilization of Fructus Arctii is very important and necessary. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Heavy flavour in high-energy nuclear collisions: a theoretical overview

NASA Astrophysics Data System (ADS)

Beraudo, Andrea

2018-03-01

The peculiar role of heavy-flavour observables in relativistic heavy-ion collisions is discussed. Produced in the early stage, c and b quarks cross the hot deconfined plasma arising from the collision, interacting strongly with the latter, until they hadronize. Transport calculations are the tools to follow their propagation in the medium: their formulation as well as their conceptual basis are briefly reviewed. Depending on the strength of the interaction heavy quarks may or not approach kinetic equilibrium with the plasma, tending in the first case to follow the collective flow of the expanding fireball. The presence of a hot deconfined medium may also affect heavy-quark hadronization, being possible for them to recombine with the surrounding light thermal partons, so that the final heavy-flavour hadrons inherit part of the flow of the medium. Here we show how it is possible to develop a complete transport setup allowing one to describe heavy-flavour production in high-energy nuclear collisions. The ultimate goal will be to extract from the experimental data the heavy-flavour transport coefficients in the Quark-Gluon Plasma: we will comment on how far we are from this achievement. Information coming from recent lattice-QCD simulations concerning both the heavy-flavour transport coefficients in the hot QCD plasma and the nature of the charmed degrees around the deconfinement transition is also presented. Finally, the possibility that the formation of a hot deconfined medium even in small systems (high-multiplicity p-Au and d-Au collisions, so far) may affect also heavy-flavour observables is investigated.

The Cotton-Mouton effect of liquid water. Part I: The dielectric continuum model

NASA Astrophysics Data System (ADS)

Ruud, Kenneth; Helgaker, Trygve; Rizzo, Antonio; Coriani, Sonia; Mikkelsen, Kurt V.

1997-07-01

We present a gauge-origin independent method for calculating the electric-field dependence of the molecular magnetizability—that is, the hypermagnetizability, related to the Cotton-Mouton Effect (CME)—of solvated molecules. In our approach, the solvated molecule is placed in a spherical cavity surrounded by a linear, homogeneous, and polarizable dielectric medium. We apply the model to investigate the dielectric-medium effects on the CME of liquid water. The effects of electron correlation, molecular geometry, and the surrounding dielectric continuum on the hypermagnetizability and the CME are investigated. The change induced in the hypermagnetizability anisotropy by the dielectric medium is the dominating effect, being almost twice as large as the correlation contribution. The combined effect of electron correlation and the dielectric continuum leads to a doubling of the hypermagnetizability anisotropy when going from the SCF gas phase value (Δη=17.89 a.u.) to the value obtained for the MCSCF wave function in the dielectric medium (Δη=39.74 a.u.). The effects of change in geometry are shown to be small. Our result for the static Cotton-Mouton constant averaged in the temperature range 283.15 K to 293.15 K, mC=15.2×10-20 G-2 cm3 mol-1, differs from experiment still by the sign and by a factor of almost 8. The major reason for this discrepancy is the neglect of short-range interactions such as hydrogen bonding and van der Waals interactions not accounted for by the continuum model.

Strong binding and shrinkage of single and double nuclear systems (K−pp, K−ppn, K−K−p and K−K−pp) predicted by Faddeev-Yakubovsky calculations

PubMed Central

MAEDA, Shuji; AKAISHI, Yoshinori; YAMAZAKI, Toshimitsu

2013-01-01

Non-relativistic Faddeev and Faddeev-Yakubovsky calculations were made for K−pp, K−ppn, K−K−p and K−K−pp kaonic nuclear clusters, where the quasi bound states were treated as bound states by employing real separable potential models for the K−-K− and the K−-nucleon interactions as well as for the nucleon-nucleon interaction. The binding energies and spatial shrinkages of these states, obtained for various values of the interaction, were found to increase rapidly with the interaction strength. Their behaviors are shown in a reference diagram, where possible changes by varying the interaction in the dense nuclear medium are given. Using the Λ(1405) ansatz with a PDG mass of 1405 MeV/c2 for K−p, the following ground-state binding energies together with the wave functions were obtained: 51.5 MeV (K−pp), 69 MeV (K−ppn), 30.4 MeV (K−K−p) and 93 MeV (K−K−pp), which are in good agreement with previous results of variational calculation based on the Akaishi-Yamazaki coupled-channel potential. The K−K−pp state has a significantly increased density where the two nucleons are located very close to each other, in spite of the inner NN repulsion. Relativistic corrections on the calculated non-relativistic results indicate substantial lowering of the bound-state masses, especially of K−K−pp, toward the kaon condensation regime. The fact that the recently observed binding energy of K−pp is much larger (by a factor of 2) than the originally predicted one may infer an enhancement of the interaction in dense nuclei by about 25% possibly due to chiral symmetry restoration. In this respect some qualitative accounts are given based on “clearing QCD vacuum” model of Brown, Kubodera and Rho. PMID:24213206

Theoretical Studies of Dissociative Recombination of Electrons with SH+ Ions

NASA Astrophysics Data System (ADS)

Kashinski, D. O.; di Nallo, O. E.; Hickman, A. P.; Mezei, J. Zs.; Schneider, I. F.; Talbi, D.

2015-05-01

We are investigating the dissociative recombination (DR) of electrons with the molecular ion SH+. (The process is e- +SH+ --> S + H .) SH+ is found in the interstellar medium (ISM), and little is known concerning its interstellar chemistry. The abundance of SH+ in the ISM suggests that destruction processes, like DR, are inefficient. Understanding the role of DR as a destruction pathway for SH+ will lead to more accurate astrophysical models. Large active-space multi-reference configuration interaction (MRCI) electronic structure calculations were performed to obtain excited-state potential energy curves (PECs) for several values of SH separation. Excited Rydberg states have proven to be of importance. The block diagonalization method was used to disentangle interacting states, forming a diabatic representation of the PECs. Currently we are performing Multichannel Quantum Defect Theory (MQDT) dynamics calculations to obtain DR rates. The status of the work will be presented at the conference. Work supported by the French CNRS, the NSF, the XSEDE, and USMA.

A new coarse-grained model for E. coli cytoplasm: accurate calculation of the diffusion coefficient of proteins and observation of anomalous diffusion.

PubMed

Hasnain, Sabeeha; McClendon, Christopher L; Hsu, Monica T; Jacobson, Matthew P; Bandyopadhyay, Pradipta

2014-01-01

A new coarse-grained model of the E. coli cytoplasm is developed by describing the proteins of the cytoplasm as flexible units consisting of one or more spheres that follow Brownian dynamics (BD), with hydrodynamic interactions (HI) accounted for by a mean-field approach. Extensive BD simulations were performed to calculate the diffusion coefficients of three different proteins in the cellular environment. The results are in close agreement with experimental or previously simulated values, where available. Control simulations without HI showed that use of HI is essential to obtain accurate diffusion coefficients. Anomalous diffusion inside the crowded cellular medium was investigated with Fractional Brownian motion analysis, and found to be present in this model. By running a series of control simulations in which various forces were removed systematically, it was found that repulsive interactions (volume exclusion) are the main cause for anomalous diffusion, with a secondary contribution from HI.

APOLLO: a general code for transport, slowing-down and thermalization calculations in heterogeneous media

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

Kavenoky, A.

1973-01-01

From national topical meeting on mathematical models and computational techniques for analysis of nuclear systems; Ann Arbor, Michigan, USA (8 Apr 1973). In mathematical models and computational techniques for analysis of nuclear systems. APOLLO calculates the space-and-energy-dependent flux for a one dimensional medium, in the multigroup approximation of the transport equation. For a one dimensional medium, refined collision probabilities have been developed for the resolution of the integral form of the transport equation; these collision probabilities increase accuracy and save computing time. The interaction between a few cells can also be treated by the multicell option of APOLLO. The diffusionmore » coefficient and the material buckling can be computed in the various B and P approximations with a linearly anisotropic scattering law, even in the thermal range of the spectrum. Eventually this coefficient is corrected for streaming by use of Benoist's theory. The self-shielding of the heavy isotopes is treated by a new and accurate technique which preserves the reaction rates of the fundamental fine structure flux. APOLLO can perform a depletion calculation for one cell, a group of cells or a complete reactor. The results of an APOLLO calculation are the space-and-energy-dependent flux, the material buckling or any reaction rate; these results can also be macroscopic cross sections used as input data for a 2D or 3D depletion and diffusion code in reactor geometry. 10 references. (auth)« less

Automation of NMR structure determination of proteins.

PubMed

Altieri, Amanda S; Byrd, R Andrew

2004-10-01

The automation of protein structure determination using NMR is coming of age. The tedious processes of resonance assignment, followed by assignment of NOE (nuclear Overhauser enhancement) interactions (now intertwined with structure calculation), assembly of input files for structure calculation, intermediate analyses of incorrect assignments and bad input data, and finally structure validation are all being automated with sophisticated software tools. The robustness of the different approaches continues to deal with problems of completeness and uniqueness; nevertheless, the future is very bright for automation of NMR structure generation to approach the levels found in X-ray crystallography. Currently, near completely automated structure determination is possible for small proteins, and the prospect for medium-sized and large proteins is good. Copyright 2004 Elsevier Ltd.

Interaction between amphiphilic ionic liquid 1-butyl-3-methylimidazolium octyl sulfate and anionic polymer of sodium polystyrene sulfonate in aqueous medium

NASA Astrophysics Data System (ADS)

Barhoumi, Z.; Saini, M.; Amdouni, N.; Pal, A.

2016-09-01

The micellization of an aqueous solution of the surface active ionic liquid (SAIL), 1-butyl-3-methylimidazolium octylsufate (C4mim)(C8OSO3) and its interaction with an anionic polymer sodium polystyrene sulfonate, (NaPSS) were studied using conductimetry, tensiometry and fluorimetry. Surface tension profile shows a more dramatic increase in the value of surface tension of aqueous (C4mim)(C8OSO3) before the critical micelle concentration (cmc) of IL. The critical micelle concentration (cmc) value of this surfactant was found out from conductance measurements. The thermodynamic parameters, i.e., Gibb's free energy, enthalpy, and entropy of micellization of the IL in aqueous solution have been calculated. Behavior of fluorescence probe confirms the binding interactions between SAIL and the polyelectrolyte.

Light propagation in nanorod arrays

NASA Astrophysics Data System (ADS)

Rahachou, A. I.; Zozoulenko, I. V.

2007-03-01

We study the propagation of TM- and TE-polarized light in two-dimensional arrays of silver nanorods of various diameters in a gelatin background. We calculate the transmittance, reflectance and absorption of arranged and disordered nanorod arrays and compare the exact numerical results with the predictions of the Maxwell-Garnett effective-medium theory. We show that interactions between nanorods, multipole contributions and formations of photonic gaps affect strongly the transmittance spectra that cannot be accounted for in terms of the conventional effective-medium theory. We also demonstrate and explain the degradation of the transmittance in arrays with randomly located rods as well as the weak influence of their fluctuating diameter. For TM modes we outline the importance of the skin effect, which causes the full reflection of the incoming light. We then illustrate the possibility of using periodic arrays of nanorods as high-quality polarizers.

Accuracy of embedded fragment calculation for evaluating electron interactions in mixed valence magnetic systems: study of 2e-reduced lindqvist polyoxometalates.

PubMed

Suaud, Nicolas; López, Xavier; Ben Amor, Nadia; Bandeira, Nuno A G; de Graaf, Coen; Poblet, Josep M

2015-02-10

Accurate quantum chemical calculations on real-world magnetic systems are challenging, the inclusion of electron correlation being the bottleneck of such task. One method proposed to overcome this difficulty is the embedded fragment approach. It tackles a chemical problem by dividing it into small fragments, which are treated in a highly accurate way, surrounded by an embedding included at an approximate level. For the vast family of medium-to-large sized polyoxometalates, two-electron-reduced systems are habitual and their magnetic properties are interesting. In this paper, we aim at assessing the quality of embedded fragment calculations by checking their ability to reproduce the electronic spectra of a complete system, here the mixed-metal series [MoxW6-xO19](4-) (x = 0-6). The microscopic parameters extracted from fragment calculations (electron hopping, intersite electrostatic repulsion, local orbital energy, etc.) have been used to reproduce the spectra through model Hamiltonian calculations. These energies are compared to the results of the highly accurate ab initio difference dedicated configuration interaction (DDCI) method on the complete system. In general, the model Hamiltonian calculations using parameters extracted from embedded fragments nearly exactly reproduce the DDCI spectra. This is quite an important result since it can be generalized to any inorganic magnetic system. Finally, the occurrence of singlet or triplet ground states in the series of molecules studied is rationalized upon the interplay of the parameters extracted.

Resonance localization in tokamaks excited with ICRF waves

NASA Astrophysics Data System (ADS)

Kerbel, G. D.; McCoy, M. G.

1985-06-01

Advanced wave model used to evaluate ICRH in tokamaks typically used warm plasma theory and allow inhomogeneity in one dimension. The majority of these calculations neglect the fact that gyrocenters experience the inhomogeneity via their motion parallel to the magnetic field. In strongly driven systems, wave damping can distort the particle distribution function supporting the wave and this produces changes in the absorption. A bounce-averaged Fokker-Planck quasilinear computational model which evolves the population of particles on more realistic orbits is presented. Each wave-particle resonance has its own specific interaction amplitude within any given volume element; these data need only be generated once, and appropriately stored for efficient retrieval. The wave-particle resonant interaction then serves as a mechanism by which the diffusion of particle populations can proceed among neighboring orbits. The local specific spectral energy absorption rate is directly calculable once the orbit geometry and populations are determined. The code is constructed in such fashion as to accommodate wave propagation models which provide the wave spectral energy density on a poloidal cross-section. Information provided by the calculation includes the local absorption properties of the medium which can then be exploited to evolve the wave field.

Protein-ion binding process on finite macromolecular concentration. A Poisson-Boltzmann and Monte Carlo study.

PubMed

de Carvalho, Sidney Jurado; Fenley, Márcia O; da Silva, Fernando Luís Barroso

2008-12-25

Electrostatic interactions are one of the key driving forces for protein-ligands complexation. Different levels for the theoretical modeling of such processes are available on the literature. Most of the studies on the Molecular Biology field are performed within numerical solutions of the Poisson-Boltzmann Equation and the dielectric continuum models framework. In such dielectric continuum models, there are two pivotal questions: (a) how the protein dielectric medium should be modeled, and (b) what protocol should be used when solving this effective Hamiltonian. By means of Monte Carlo (MC) and Poisson-Boltzmann (PB) calculations, we define the applicability of the PB approach with linear and nonlinear responses for macromolecular electrostatic interactions in electrolyte solution, revealing some physical mechanisms and limitations behind it especially due the raise of both macromolecular charge and concentration out of the strong coupling regime. A discrepancy between PB and MC for binding constant shifts is shown and explained in terms of the manner PB approximates the excess chemical potentials of the ligand, and not as a consequence of the nonlinear thermal treatment and/or explicit ion-ion interactions as it could be argued. Our findings also show that the nonlinear PB predictions with a low dielectric response well reproduce the pK shifts calculations carried out with an uniform dielectric model. This confirms and completes previous results obtained by both MC and linear PB calculations.

Structure, spectra and antioxidant action of ascorbic acid studied by density functional theory, Raman spectroscopic and nuclear magnetic resonance techniques.

PubMed

Singh, Gurpreet; Mohanty, B P; Saini, G S S

2016-02-15

Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide. Copyright © 2015 Elsevier B.V. All rights reserved.

Folding model analyses of 12C-12C and 16O-16O elastic scattering using the density-dependent LOCV-averaged effective interaction

NASA Astrophysics Data System (ADS)

Rahmat, M.; Modarres, M.

2018-03-01

The averaged effective two-body interaction (AEI), which can be generated through the lowest order constrained variational (LOCV) method for symmetric nuclear matter (SNM) with the input [Reid68, Ann. Phys. 50, 411 (1968), 10.1016/0003-4916(68)90126-7] nucleon-nucleon potential, is used as the effective nucleon-nucleon potential in the folding model to describe the heavy-ion (HI) elastic scattering cross sections. The elastic scattering cross sections of 12C-12C and 16O-16O systems are calculated in the above framework. The results are compared with the corresponding calculations coming from the fitting procedures with the input finite range D D M 3 Y 1 -Reid potential and the available experimental data at different incident energies. It is shown that a reasonable description of the elastic 12C-12C and 16O-16O scattering data at the low and medium energies can be obtained by using the above LOCV AEI, without any need to define a parametrized density-dependent function in the effective nucleon-nucleon potential, which is formally considered in the typical D D M 3 Y 1 -Reid interactions.

A comment on the validity of fragmentation parameters measured in nuclear emulsions. [cosmic ray nuclei

NASA Technical Reports Server (NTRS)

Waddington, C. J.

1978-01-01

Evidence is reexamined which has been cited as suggesting serious errors in the use of fragmentation parameters appropriate to an airlike medium deduced from measurements made in nuclear emulsions to evaluate corrections for certain effects in balloon-borne observations of cosmic-ray nuclei. Fragmentation parameters for hydrogenlike interactions are calculated and shown to be in overall good agreement with those obtained previously for air. Experimentally measured fragmentation parameters in emulsion are compared with values computed semiempirically, and reasonable agreement is indicated.

Time's arrow: A numerical experiment

NASA Astrophysics Data System (ADS)

Fowles, G. Richard

1994-04-01

The dependence of time's arrow on initial conditions is illustrated by a numerical example in which plane waves produced by an initial pressure pulse are followed as they are multiply reflected at internal interfaces of a layered medium. Wave interactions at interfaces are shown to be analogous to the retarded and advanced waves of point sources. The model is linear and the calculation is exact and demonstrably time reversible; nevertheless the results show most of the features expected of a macroscopically irreversible system, including the approach to the Maxwell-Boltzmann distribution, ergodicity, and concomitant entropy increase.

Investigation of the vapour-plasma plume in the welding of titanium by high-power ytterbium fibre laser radiation

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

Bykovskiy, D P; Petrovskii, V N; Uspenskiy, S A

2015-03-31

The vapour-plasma plume produced in the welding of 6-mm thick VT-23 titanium alloy plates by ytterbium fibre laser radiation of up to 10 kW power is studied in the protective Ar gas medium. High-speed video filming of the vapour-plasma plume is used to visualise the processes occurring during laser welding. The coefficient of inverse bremsstrahlung by the welding plasma plume is calculated from the data of the spectrometric study. (interaction of laser radiation with matter)

Effective permittivity of single-walled carbon nanotube composites: Two-fluid model

NASA Astrophysics Data System (ADS)

Moradi, Afshin; Zangeneh, Hamid Reza; Moghadam, Firoozeh Karimi

2015-12-01

We develop an effective medium theory to obtain effective permittivity of a composite of two-dimensional (2D) aligned single-walled carbon nanotubes. Electronic excitations on each nanotube surface are modeled by an infinitesimally thin layer of a 2D electron gas represented by two interacting fluids, which takes into account different nature of the σ and π electrons. Calculations of both real and imaginary parts of the effective dielectric function of the system are presented, for different values of the filling factor and radius of carbon nanotubes.

Dose specification for radiation therapy: dose to water or dose to medium?

NASA Astrophysics Data System (ADS)

Ma, C.-M.; Li, Jinsheng

2011-05-01

The Monte Carlo method enables accurate dose calculation for radiation therapy treatment planning and has been implemented in some commercial treatment planning systems. Unlike conventional dose calculation algorithms that provide patient dose information in terms of dose to water with variable electron density, the Monte Carlo method calculates the energy deposition in different media and expresses dose to a medium. This paper discusses the differences in dose calculated using water with different electron densities and that calculated for different biological media and the clinical issues on dose specification including dose prescription and plan evaluation using dose to water and dose to medium. We will demonstrate that conventional photon dose calculation algorithms compute doses similar to those simulated by Monte Carlo using water with different electron densities, which are close (<4% differences) to doses to media but significantly different (up to 11%) from doses to water converted from doses to media following American Association of Physicists in Medicine (AAPM) Task Group 105 recommendations. Our results suggest that for consistency with previous radiation therapy experience Monte Carlo photon algorithms report dose to medium for radiotherapy dose prescription, treatment plan evaluation and treatment outcome analysis.

Evaluation of mineral-aqueous chemical equilibria of felsic reservoirs with low-medium temperature: A comparative study in Yangbajing geothermal field and Guangdong geothermal fields

NASA Astrophysics Data System (ADS)

Li, Jiexiang; Sagoe, Gideon; Yang, Guang; Lu, Guoping

2018-02-01

Classical geothermometers are useful tools for estimating reservoir temperatures of geothermal systems. However, their application to low-medium temperature reservoirs is limited because large variations of temperatures calculated by different classical geothermometers are usually observed. In order to help choose the most appropriate classical geothermometer for calculating the temperatures of low-medium temperature reservoirs, this study evaluated the mineral-aqueous equilibria of typical low-medium temperature felsic reservoirs in the Yangbajing geothermal field and Guangdong geothermal fields. The findings of this study support that reservoirs in the Guangdong geothermal fields have no direct magma influence. Also, natural reservoirs may represent the intermediate steady state before reaching full equilibrium, which rarely occurs. For the low-medium temperature geothermal systems without the influence of magma, even with seawater intrusion, the process of minerals reaching mineral-aqueous equilibrium is sequential: chlorite and chalcedony are the first, then followed by K-feldspar, kaolinite and K-mica. Chlorite may reach equilibrium at varying activity values, and the equilibrium between K-feldspar and kaolinite or K-feldspar and K-mica can fix the contents of K and Al in the solutions. Although the SiO2 and Al attain equilibrium state, albite and laumontite remain unsaturated and thus may affect low-medium temperature calculations. In this study, the chalcedony geothermometer was found to be the most suitable geothermometer for low-medium temperature reservoirs. The results of K-Mg geothermometer may be useful to complement that of the chalcedony geothermometer in low-medium temperature reservoir systems. Na-K geothermometer will give unreliable results at low-medium temperatures; and Na-K-Ca will also be unsuitable to calculate reservoir temperatures lower than 180 °C, probably caused by the chemical imbalance of laumontite.

Monte Carlo studies on neutron interactions in radiobiological experiments

PubMed Central

Shahmohammadi Beni, Mehrdad; Hau, Tak Cheong; Krstic, D.; Nikezic, D.

2017-01-01

Monte Carlo method was used to study the characteristics of neutron interactions with cells underneath a water medium layer with varying thickness. The following results were obtained. (1) The fractions of neutron interaction with 1H, 12C, 14N and 16O nuclei in the cell layer were studied. The fraction with 1H increased with increasing medium thickness, while decreased for 12C, 14N and 16O nuclei. The bulges in the interaction fractions with 12C, 14N and 16O nuclei were explained by the resonance spikes in the interaction cross-section data. The interaction fraction decreased in the order: 1H > 16O > 12C > 14N. (2) In general, as the medium thickness increased, the number of “interacting neutrons” which exited the medium and then further interacted with the cell layer increased. (3) The area under the angular distributions for “interacting neutrons” decreased with increasing incident neutron energy. Such results would be useful for deciphering the reasons behind discrepancies among existing results in the literature. PMID:28704557

Absorption of {Lambda}(1520) hyperons in photon-nucleus collisions

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

Paryev, E. Ya.

2012-12-15

In the framework of the nuclear spectral function approach for incoherent primary photon-nucleon and secondary pion-nucleon production processes we study the inclusive {Lambda}(1520)-hyperon production in the interaction of 2-GeV photons with nuclei. In particular, the A and momentum dependences of the absolute and relative {Lambda}(1520)-hyperon yields are investigated in two scenarios for its in-medium width. Our model calculations show that the pion-nucleon production channel contributes appreciably to the {Lambda}(1520) creation at intermediate momenta both in light and heavy nuclei in the chosen kinematics and, hence, has to be taken into consideration on close examination of the dependences of the {Lambda}(1520)-hyperonmore » yields on the target mass number with the aim to get information on its width in the medium. They also demonstrate that the A and momentum dependences of the absolute and relative {Lambda}(1520)-hyperon production cross sections at incident energy of interest are markedly sensitive to the {Lambda}(1520) in-medium width, which means that these observables may be an important tool to determine the above width.« less

CWG - MUTUAL COUPLING PROGRAM FOR CIRCULAR WAVEGUIDE-FED APERTURE ARRAY (IBM PC VERSION)

NASA Technical Reports Server (NTRS)

Bailey, M. C.

1994-01-01

Mutual Coupling Program for Circular Waveguide-fed Aperture Array (CWG) was developed to calculate the electromagnetic interaction between elements of an antenna array of circular apertures with specified aperture field distributions. The field distributions were assumed to be a superposition of the modes which could exist in a circular waveguide. Various external media were included to provide flexibility of use, for example, the flexibility to determine the effects of dielectric covers (i.e., thermal protection system tiles) upon the impedance of aperture type antennas. The impedance and radiation characteristics of planar array antennas depend upon the mutual interaction between all the elements of the array. These interactions are influenced by several parameters (e.g., the array grid geometry, the geometry and excitation of each array element, the medium outside the array, and the internal network feeding the array.) For the class of array antenna whose radiating elements consist of small holes in a flat conducting plate, the electromagnetic problem can be divided into two parts, the internal and the external. In solving the external problem for an array of circular apertures, CWG will compute the mutual interaction between various combinations of circular modal distributions and apertures. CWG computes the mutual coupling between various modes assumed to exist in circular apertures that are located in a flat conducting plane of infinite dimensions. The apertures can radiate into free space, a homogeneous medium, a multilayered region or a reflecting surface. These apertures are assumed to be excited by one or more modes corresponding to the modal distributions in circular waveguides of the same cross sections as the apertures. The apertures may be of different sizes and also of different polarizations. However, the program assumes that each aperture field contains the same modal distributions, and calculates the complex scattering matrix between all mode and aperture combinations. The scattering matrix can then be used to determine the complex modal field amplitudes for each aperture with a specified array excitation. CWG is written in VAX FORTRAN for DEC VAX series computers running VMS (LAR-15236) and IBM PC series and compatible computers running MS-DOS (LAR-15226). It requires 360K of RAM for execution. To compile the source code for the PC version, the NDP Fortran compiler and linker will be required; however, the distribution medium for the PC version of CWG includes a sample MS-DOS executable which was created using NDP Fortran with the -vms compiler option. The standard distribution medium for the PC version of CWG is a 3.5 inch 1.44Mb MS-DOS format diskette. The standard distribution medium for the VAX version of CWG is a 1600 BPI 9track magnetic tape in DEC VAX BACKUP format. The VAX version is also available on a TK50 tape cartridge in DEC VAX BACKUP format. Both machine versions of CWG include an electronic version of the documentation in Microsoft Word for Windows format. CWG was developed in 1993 and is a copyrighted work with all copyright vested in NASA.

CWG - MUTUAL COUPLING PROGRAM FOR CIRCULAR WAVEGUIDE-FED APERTURE ARRAY (VAX VMS VERSION)

NASA Technical Reports Server (NTRS)

Bailey, M. C.

1994-01-01

Mutual Coupling Program for Circular Waveguide-fed Aperture Array (CWG) was developed to calculate the electromagnetic interaction between elements of an antenna array of circular apertures with specified aperture field distributions. The field distributions were assumed to be a superposition of the modes which could exist in a circular waveguide. Various external media were included to provide flexibility of use, for example, the flexibility to determine the effects of dielectric covers (i.e., thermal protection system tiles) upon the impedance of aperture type antennas. The impedance and radiation characteristics of planar array antennas depend upon the mutual interaction between all the elements of the array. These interactions are influenced by several parameters (e.g., the array grid geometry, the geometry and excitation of each array element, the medium outside the array, and the internal network feeding the array.) For the class of array antenna whose radiating elements consist of small holes in a flat conducting plate, the electromagnetic problem can be divided into two parts, the internal and the external. In solving the external problem for an array of circular apertures, CWG will compute the mutual interaction between various combinations of circular modal distributions and apertures. CWG computes the mutual coupling between various modes assumed to exist in circular apertures that are located in a flat conducting plane of infinite dimensions. The apertures can radiate into free space, a homogeneous medium, a multilayered region or a reflecting surface. These apertures are assumed to be excited by one or more modes corresponding to the modal distributions in circular waveguides of the same cross sections as the apertures. The apertures may be of different sizes and also of different polarizations. However, the program assumes that each aperture field contains the same modal distributions, and calculates the complex scattering matrix between all mode and aperture combinations. The scattering matrix can then be used to determine the complex modal field amplitudes for each aperture with a specified array excitation. CWG is written in VAX FORTRAN for DEC VAX series computers running VMS (LAR-15236) and IBM PC series and compatible computers running MS-DOS (LAR-15226). It requires 360K of RAM for execution. To compile the source code for the PC version, the NDP Fortran compiler and linker will be required; however, the distribution medium for the PC version of CWG includes a sample MS-DOS executable which was created using NDP Fortran with the -vms compiler option. The standard distribution medium for the PC version of CWG is a 3.5 inch 1.44Mb MS-DOS format diskette. The standard distribution medium for the VAX version of CWG is a 1600 BPI 9track magnetic tape in DEC VAX BACKUP format. The VAX version is also available on a TK50 tape cartridge in DEC VAX BACKUP format. Both machine versions of CWG include an electronic version of the documentation in Microsoft Word for Windows format. CWG was developed in 1993 and is a copyrighted work with all copyright vested in NASA.

Radiation characteristics of a source in a thin substrate mounted over a dielectric medium

NASA Technical Reports Server (NTRS)

Engheta, Nader; Elachi, Charles

1988-01-01

The radiation pattern of a line source is calculated for the case in which the source is lying on the top or the bottom surface of a lossless dielectric substrate that is mounted on the top of semiinfinite dielectric medium. It is found that in both cases the pattern along the interfaces has a null; that the pattern in the upper semiinfinite medium has a single lobe; and that the pattern in the lower semiinfinite medium has many lobes, the number of which varies with the substrate thickness. In both cases, the power radiated into the lower medium is more than that radiated into the upper medium. Applications of this calculation to remote sensing, microstrip antenna technology, and antenna arrays are discussed.

Interior radiances in optically deep absorbing media. III Scattering from Haze L

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.

1975-01-01

The interior radiances are calculated within an optically deep absorbing medium scattering according to the Haze L phase function. The dependence on the solar zenith angle, the single scattering albedo, and the optical depth within the medium is calculated by the matrix operator method. The development of the asymptotic angular distribution of the radiance in the diffusion region is illustrated through a number of examples; it depends only on the single scattering albedo and on the phase function for single scattering. The exact values of the radiance in the diffusion region are compared with values calculated from the approximate equations proposed by Van de Hulst. The variation of the radiance near the lower boundary of an optically thick medium is illustrated with examples. The attenuation length is calculated for various single scattering albedos and compared with the corresponding values for Rayleigh scattering. The ratio of the upward to the downward flux is found to be remarkably constant within the medium.

Thermo-optical interactions in a dye-microcavity photon Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Alaeian, Hadiseh; Schedensack, Mira; Bartels, Clara; Peterseim, Daniel; Weitz, Martin

2017-11-01

Superfluidity and Bose-Einstein condensation are usually considered as two closely related phenomena. Indeed, in most macroscopic quantum systems, like liquid helium, ultracold atomic Bose gases, and exciton-polaritons, condensation and superfluidity occur in parallel. In photon Bose-Einstein condensates realized in the dye microcavity system, thermalization does not occur by direct interaction of the condensate particles as in the above described systems, i.e. photon-photon interactions, but by absorption and re-emission processes on the dye molecules, which act as a heat reservoir. Currently, there is no experimental evidence for superfluidity in the dye microcavity system, though effective photon interactions have been observed from thermo-optic effects in the dye medium. In this work, we theoretically investigate the implications of effective thermo-optic photon interactions, a temporally delayed and spatially non-local effect, on the photon condensate, and derive the resulting Bogoliubov excitation spectrum. The calculations suggest a linear photon dispersion at low momenta, fulfilling the Landau’s criterion of superfluidity. We envision that the temporally delayed and long-range nature of the thermo-optic photon interaction offer perspectives for novel quantum fluid phenomena.

Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O2 + N2 Collisions.

PubMed

Kurnosov, A; Cacciatore, M; Pirani, F; Laganà, A; Martí, C; Garcia, E

2017-07-13

We report in this paper an investigation on energy transfer processes from vibration to vibration and/or translation in thermal and subthermal regimes for the O 2 + N 2 system performed using quantum-classical calculations on different empirical, semiempirical, and ab initio potential energy surfaces. In particular, the paper focuses on the rationalization of the non-Arrhenius behavior (inversion of the temperature dependence) of the quasi-resonant vibration-to-vibration energy transfer transition rate coefficients at threshold. To better understand the microscopic nature of the involved processes, we pushed the calculations to the detail of the related cross sections and analyzed the impact of the medium and long-range components of the interaction on them. Furthermore, the variation with temperature of the dependence of the quasi-resonant rate coefficient on the vibrational energy gap between initial and final vibrational states and the effectiveness of quantum-classical calculations to overcome the limitations of the purely classical treatments were also investigated. These treatments, handled in an open molecular science fashion by chaining data and competencies of the various laboratories using a grid empowered molecular simulator, have allowed a rationalization of the dependence of the computed rate coefficients in terms of the distortion of the O 2 -N 2 configuration during the diatom-diatom collisions. A way of relating such distortions to a smooth and continuous progress variable, allowing a proper evolution from both long to closer range formulation of the interaction and from its entrance to exit channel (through the strong interaction region) relaxed graphical representations, is also discussed in the paper.

Experimental study of the dynamics of penetration of a solid body into a soil medium

NASA Astrophysics Data System (ADS)

Balandin, Vl. V.; Balandin, Vl. Vl.; Bragov, A. M.; Kotov, V. L.

2016-06-01

An experimental system is developed to determine the main parameters of the impact and penetration of a solid deformable body into a soft soil medium. This system is based on the technique of an inverse experiment with a measuring rod and the technique of a direct experiment with photo recording and the application of a shadow picture of the interaction of a striker with a soil target. To verify these techniques, the collision of a solid body with soil is studied by a numerical calculation and the time intervals in which the change of the resistance force is proportional to the penetration velocity squared are determined. The penetration resistance coefficients determined in direct and inverse experiments are shown to agree with each other in the collision velocity range 80-400 m/s, which supports the validity of the techniques and the reliability of measuring the total load.

Excitation of turbulence by density waves

NASA Technical Reports Server (NTRS)

Tichen, C. M.

1985-01-01

A nonlinear system describes the microdynamical state of turbulence that is excited by density waves. It consists of an equation of propagation and a master equation. A group-scaling generates the scaled equations of many interacting groups of distribution functions. The two leading groups govern the transport processes of evolution and eddy diffusivity. The remaining sub-groups represent the relaxation for the approach of diffusivity to equilibrium. In strong turbulence, the sub-groups disperse themselves and the ensemble acts like a medium that offers an effective damping to close the hierarchy. The kinetic equation of turbulence is derived. It calculates the eddy viscosity and identifies the effective damping of the assumed medium self-consistently. It formulates the coupling mechanism for the intensification of the turbulent energy at the expense of the wave energy, and the transfer mechanism for the cascade. The spectra of velocity and density fluctuations find the power law k sup-2 and k sup-4, respectively.

Observation of D 0 meson nuclear modifications in Au + Au collisions at s NN = 200 GeV

DOE PAGES

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; ...

2014-09-30

We report the first measurement of charmed-hadron (D 0) production via the hadronic decay channel (D 0→K -+π +) in Au+Au collisions at √ sNN=200 GeV with the STAR experiment. The charm production cross section per nucleon-nucleon collision at midrapidity scales with the number of binary collisions, N bin, from p+p to central Au+Au collisions. The D 0 meson yields in central Au+Aucollisions are strongly suppressed compared to those in p+p scaled by N bin, for transverse momenta p T>3 GeV/c, demonstrating significant energy loss of charm quarks in the hot and dense medium. An enhancement at intermediate p Tmore » is also observed. Model calculations including strong charm-medium interactions and coalescence hadronization describe our measurements.« less

Multistage Monte Carlo simulation of jet modification in a static medium

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

Cao, S.; Park, C.; Barbieri, R. A.

In this work, the modification of hard jets in an extended static medium held at a fixed temperature is studied using three different Monte Carlo event generators: linear Boltzmann transport (LBT), modular all twist transverse-scattering elastic-drag and radiation (MATTER), and modular algorithm for relativistic treatment of heavy-ion interactions (MARTINI). Each event generator contains a different set of assumptions regarding the energy and virtuality of the partons within a jet versus the energy scale of the medium and, hence, applies to a different epoch in the space-time history of the jet evolution. Here modeling is developed where a jet may sequentiallymore » transition from one generator to the next, on a parton-by-parton level, providing a detailed simulation of the space-time evolution of medium modified jets over a much broader dynamic range than has been attempted previously in a single calculation. Comparisons are carried out for different observables sensitive to jet quenching, including the parton fragmentation function and the azimuthal distribution of jet energy around the jet axis. The effect of varying the boundary between different generators is studied and a theoretically motivated criterion for the location of this boundary is proposed. Lastly, the importance of such an approach with coupled generators to the modeling of jet quenching is discussed.« less

Multistage Monte Carlo simulation of jet modification in a static medium

DOE PAGES

Cao, S.; Park, C.; Barbieri, R. A.; ...

2017-08-22

In this work, the modification of hard jets in an extended static medium held at a fixed temperature is studied using three different Monte Carlo event generators: linear Boltzmann transport (LBT), modular all twist transverse-scattering elastic-drag and radiation (MATTER), and modular algorithm for relativistic treatment of heavy-ion interactions (MARTINI). Each event generator contains a different set of assumptions regarding the energy and virtuality of the partons within a jet versus the energy scale of the medium and, hence, applies to a different epoch in the space-time history of the jet evolution. Here modeling is developed where a jet may sequentiallymore » transition from one generator to the next, on a parton-by-parton level, providing a detailed simulation of the space-time evolution of medium modified jets over a much broader dynamic range than has been attempted previously in a single calculation. Comparisons are carried out for different observables sensitive to jet quenching, including the parton fragmentation function and the azimuthal distribution of jet energy around the jet axis. The effect of varying the boundary between different generators is studied and a theoretically motivated criterion for the location of this boundary is proposed. Lastly, the importance of such an approach with coupled generators to the modeling of jet quenching is discussed.« less

Forces and torques on rigid inclusions in an elastic environment: Resulting matrix-mediated interactions, displacements, and rotations

NASA Astrophysics Data System (ADS)

Puljiz, Mate; Menzel, Andreas M.

2017-05-01

Embedding rigid inclusions into elastic matrix materials is a procedure of high practical relevance, for instance, for the fabrication of elastic composite materials. We theoretically analyze the following situation. Rigid spherical inclusions are enclosed by a homogeneous elastic medium under stick boundary conditions. Forces and torques are directly imposed from outside onto the inclusions or are externally induced between them. The inclusions respond to these forces and torques by translations and rotations against the surrounding elastic matrix. This leads to elastic matrix deformations, and in turn results in mutual long-ranged matrix-mediated interactions between the inclusions. Adapting a well-known approach from low-Reynolds-number hydrodynamics, we explicitly calculate the displacements and rotations of the inclusions from the externally imposed or induced forces and torques. Analytical expressions are presented as a function of the inclusion configuration in terms of displaceability and rotateability matrices. The role of the elastic environment is implicitly included in these relations. That is, the resulting expressions allow a calculation of the induced displacements and rotations directly from the inclusion configuration, without having to explicitly determine the deformations of the elastic environment. In contrast to the hydrodynamic case, compressibility of the surrounding medium is readily taken into account. We present the complete derivation based on the underlying equations of linear elasticity theory. In the future, the method will, for example, be helpful to characterize the behavior of externally tunable elastic composite materials, to accelerate numerical approaches, as well as to improve the quantitative interpretation of microrheological results.

Enhancing absorption in coated semiconductor nanowire/nanorod core-shell arrays using active host matrices

NASA Astrophysics Data System (ADS)

Jule, Leta; Dejene, Francis; Roro, Kittessa

2016-12-01

In the present work, we investigated theoretically and experimentally the interaction of radiation field phenomena interacting with arrays of nanowire/nanorod core-shell embedded in active host matrices. The optical properties of composites are explored including the case when the absorption of propagating wave by dissipative component is completely compensated by amplification in active (lasing) medium. On the basis of more elaborated modeling approach and extended effective medium theory, the effective polarizability and the refractive index of electromagnetic mode dispersion of the core-shell nanowire arrays are derived. ZnS(shell)-coated by sulphidation process on ZnO(shell) nanorod arrays grown on (100) silicon substrate by chemical bath deposition (CBD) has been used for theoretical comparison. Compared with the bare ZnO nanorods, ZnS-coated core/shell nanorods exhibit a strongly reduced ultraviolet (UV) emission and a dramatically enhanced deep level (DL) emission. Obviously, the UV and DL emission peaks are attributed to the emissions of ZnO nanorods within ZnO/ZnS core/shell nanorods. The reduction of UV emission after ZnS coating seems to agree with the charge separation mechanism of type-II band alignment that holes transfer from the core to shell, which would quench the UV emission to a certain extent. Our theoretical calculations and numerical simulation demonstrate that the use of active host (amplifying) medium to compensate absorption at metallic inclusions. Moreover the core-shell nanorod/nanowire arrays create the opportunity for broad band absorption and light harvesting applications.

Auxiliary field diffusion Monte Carlo calculations of light and medium-mass nuclei with local chiral interactions

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

Lonardoni, D.; Gandolfi, S.; Lynn, J. E.

Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective-field-theory interactions. In this paper, we present a detailed description of the auxiliary field diffusion Monte Carlo algorithm for nuclei in combination with local chiral two- and three-nucleon interactions up to next-to-next-to-leading order. We show results for the binding energy, charge radius, charge form factor, and Coulomb sum rule in nuclei withmore » $$3{\\le}A{\\le}16$$. Particular attention is devoted to the effect of different operator structures in the three-body force for different cutoffs. Finally, the outcomes suggest that local chiral interactions fit to few-body observables give a very good description of the ground-state properties of nuclei up to $$^{16}\\mathrm{O}$$, with the exception of one fit for the softer cutoff which predicts overbinding in larger nuclei.« less

Effects of protein conformational motions in the native form and non-uniform distribution of electrostatic interaction sites on interfacial water

NASA Astrophysics Data System (ADS)

Pal, Somedatta; Bandyopadhyay, Sanjoy

2013-07-01

Protein-water interactions and their influence on surrounding water is a long-standing problem. Despite its importance, the origin of differential water behavior at the protein surface is still elusive. We have performed molecular simulations of the protein barstar in aqueous medium. Efforts have been made to explore how the conformational motions of the protein segments in the native form and the heterogeneous electrostatic interactions with the polar and charged groups of the protein affect the interfacial water properties. The calculations reveal that reduced dimension of the hydration layer on freezing the protein's degrees of freedom does not modify the heterogeneous water distributions around the protein. However, turning off the protein-water electrostatic contribution leads to non-preferential near-uniform water arrangements at the surface. It is further shown that with protein-water electrostatic interactions turned on, the local structuring of water molecules around the segments are correlated with their degree of exposure to the solvent.

Auxiliary field diffusion Monte Carlo calculations of light and medium-mass nuclei with local chiral interactions

DOE PAGES

Lonardoni, D.; Gandolfi, S.; Lynn, J. E.; ...

2018-04-24

Quantum Monte Carlo methods have recently been employed to study properties of nuclei and infinite matter using local chiral effective-field-theory interactions. In this paper, we present a detailed description of the auxiliary field diffusion Monte Carlo algorithm for nuclei in combination with local chiral two- and three-nucleon interactions up to next-to-next-to-leading order. We show results for the binding energy, charge radius, charge form factor, and Coulomb sum rule in nuclei withmore » $$3{\\le}A{\\le}16$$. Particular attention is devoted to the effect of different operator structures in the three-body force for different cutoffs. Finally, the outcomes suggest that local chiral interactions fit to few-body observables give a very good description of the ground-state properties of nuclei up to $$^{16}\\mathrm{O}$$, with the exception of one fit for the softer cutoff which predicts overbinding in larger nuclei.« less

Dynamical friction for supersonic motion in a homogeneous gaseous medium

NASA Astrophysics Data System (ADS)

Thun, Daniel; Kuiper, Rolf; Schmidt, Franziska; Kley, Wilhelm

2016-05-01

Context. The supersonic motion of gravitating objects through a gaseous ambient medium constitutes a classical problem in theoretical astrophysics. Its application covers a broad range of objects and scales from planetesimals, planets, and all kind of stars up to galaxies and black holes. In particular, the dynamical friction caused by the wake that forms behind the object plays an important role for the dynamics of the system. To calculate the dynamical friction for a particular system, standard formulae based on linear theory are often used. Aims: It is our goal to check the general validity of these formulae and provide suitable expressions for the dynamical friction acting on the moving object, based on the basic physical parameters of the problem: first, the mass, radius, and velocity of the perturber; second, the gas mass density, soundspeed, and adiabatic index of the gaseous medium; and finally, the size of the forming wake. Methods: We perform dedicated sequences of high-resolution numerical studies of rigid bodies moving supersonically through a homogeneous ambient medium and calculate the total drag acting on the object, which is the sum of gravitational and hydrodynamical drag. We study cases without gravity with purely hydrodynamical drag, as well as gravitating objects. In various numerical experiments, we determine the drag force acting on the moving body and its dependence on the basic physical parameters of the problem, as given above. From the final equilibrium state of the simulations, for gravitating objects we compute the dynamical friction by direct numerical integration of the gravitational pull acting on the embedded object. Results: The numerical experiments confirm the known scaling laws for the dependence of the dynamical friction on the basic physical parameters as derived in earlier semi-analytical studies. As a new important result we find that the shock's stand-off distance is revealed as the minimum spatial interaction scale of dynamical friction. Below this radius, the gas settles into a hydrostatic state, which - owing to its spherical symmetry - causes no net gravitational pull onto the moving body. Finally, we derive an analytic estimate for the stand-off distance that can easily be used when calculating the dynamical friction force.

Interaction of the jet from the neutron star with the interstellar medium

NASA Astrophysics Data System (ADS)

Kiikov, S. O.

2017-12-01

The interaction between the hypersonic plasma jet from the accreting neutron star and the ambient interstellar medium is studied. It is assumed that the jet is launched from the accretion disk via the open magnetic field anchored in the disk. The analytical investigation for the structure of the working surface of the jet is carried out. The estimates of the volume stream functions in the region of the interaction between the jet and the interstellar medium are derived. The obtained results allow to examine the distribution of the plasma velocity fields in the interaction region.

Interior radiances in optically deep absorbing media. 3: Scattering from Haze L

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.

1974-01-01

The interior radiances are calculated within an optically deep absorbing medium scattering according to the Haze L phase function. The dependence on the solar zenith angle, the single scattering albedo, and the optical depth within the medium is calculated by the matrix operator method. The development of the asymptotic angular distribution of the radiance in the diffusion region is illustrated through a number of examples; it depends only on the single scattering albedo and on the phase function for single scattering. The exact values of the radiance in the diffusion region are compared with values calculated from the approximate equations proposed by Van de Hulst. The variation of the radiance near the lower boundary of an optically thick medium is illustrated with examples. The attenuation length is calculated for various single scattering albedos and compared with the corresponding values for Rayleigh scattering. The ratio of the upward to the downward flux is found to be remarkably constant within the medium. The heating rate is calculated and found to have a maximum value at an optical depth of two within a Haze L layer when the sun is at the zenith.

The rate constant of a quantum-diffusion-controlled bimolecular reaction

NASA Astrophysics Data System (ADS)

Bondarev, B. V.

1986-04-01

A quantum-mechanical equation is derived in the tight-bond approximation which describes the motion and chemical interaction of a pair of species A and B when their displacement in the matrix is caused by tunnelling. Within the framework of the discrete model of random walks, definitions are given of the probability and rate constant of a reaction A + B → P (products) proceeding in a condensed medium. A method is suggested for calculating the rate constant of a quantum-diffusion-controlled bimolecular reaction. By this method, an expression is obtained for the rate constant in the stationary spherically symmetrical case. An equation for the density matrix is also proposed which describes the motion and chemical interaction of a pair of species when the quantum and classical diffusion are competitive.

Missing Fe: hydrogenated iron nanoparticles

NASA Astrophysics Data System (ADS)

Bilalbegović, G.; Maksimović, A.; Mohaček-Grošev, V.

2017-03-01

Although it was found that the FeH lines exist in the spectra of some stars, none of the spectral features in the interstellar medium (ISM) have been assigned to this molecule. We suggest that iron atoms interact with hydrogen and produce Fe-H nanoparticles which sometimes contain many H atoms. We calculate infrared spectra of hydrogenated iron nanoparticles using density functional theory methods and find broad, overlapping bands. Desorption of H2 could induce spinning of these small Fe-H dust grains. Some of hydrogenated iron nanoparticles possess magnetic and electric moments and should interact with electromagnetic fields in the ISM. FenHm nanoparticles could contribute to the polarization of the ISM and the anomalous microwave emission. We discuss the conditions required to form FeH and FenHm in the ISM.

Positron induced scattering cross sections for hydrocarbons relevant to plasma

NASA Astrophysics Data System (ADS)

Singh, Suvam; Antony, Bobby

2018-05-01

This article explores positron scattering cross sections by simple hydrocarbons such as ethane, ethene, ethyne, propane, and propyne. Chemical erosion processes occurring on the surface due to plasma-wall interactions are an abundant source of hydrocarbon molecules which contaminate the hydrogenic plasma. These hydrocarbons play an important role in the edge plasma region of Tokamak and ITER. In addition to this, they are also one of the major components in the planetary atmospheres and astrophysical mediums. The present work focuses on calculation of different positron impact interactions with simple hydrocarbons in terms of the total cross section (Qtot), elastic cross section (Qel), direct ionization cross section (Qion), positronium formation cross section (Qps), and total ionization cross section (Qtion). Knowing that the positron-plasma study is one of the trending fields, the calculated data have diverse plasma and astrophysical modeling applications. A comprehensive study of Qtot has been provided where the inelastic cross sections have been reported for the first time. Comparisons are made with those available from the literature, and a good agreement is obtained with the measurements.

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.

The Digital Medium Meets the Advertising Message.

ERIC Educational Resources Information Center

Nisenholtz, Martin

1994-01-01

Discusses the likelihood that companies will use online services as an advertising medium. Topics addressed include the art of interactive marketing; advertising in the digital age; early experiments with interactive marketing, including the use of videotex and videodisc; and recent trends that set the stage for interactive marketing to personal…

Significance of medium energy gamma ray astronomy in the study of cosmic rays

NASA Technical Reports Server (NTRS)

Fichtel, C. E.; Kniffen, D. A.; Thompson, D. J.; Bignami, G. F.; Cheung, C. Y.

1975-01-01

Medium energy (about 10 to 30 MeV) gamma ray astronomy provides information on the product of the galactic electron cosmic ray intensity and the galactic matter to which the electrons are dynamically coupled by the magnetic field. Because high energy (greater than 100 MeV) gamma ray astronomy provides analogous information for the nucleonic cosmic rays and the relevant matter, a comparison between high energy and medium energy gamma ray intensities provides a direct ratio of the cosmic ray electrons and nucleons throughout the galaxy. A calculation of gamma ray production by electron bremsstrahlung shows that: bremsstrahlung energy loss is probably not negligible over the lifetime of the electrons in the galaxy; and the approximate bremsstrahlung calculation often used previously overestimates the gamma ray intensity by about a factor of two. As a specific example, expected medium energy gamma ray intensities are calculated for the speral arm model.

The structural, morphological and thermal properties of grafted pH-sensitive interpenetrating highly porous polymeric composites of sodium alginate/acrylic acid copolymers for controlled delivery of diclofenac potassium.

PubMed

Jalil, Aamir; Khan, Samiullah; Naeem, Fahad; Haider, Malik Suleman; Sarwar, Shoaib; Riaz, Amna; Ranjha, Nazar Muhammad

2017-01-01

In present investigation new formulations of Sodium Alginate/Acrylic acid hydrogels with high porous structure were synthesized by free radical polymerization technique for the controlled drug delivery of analgesic agent to colon. Many structural parameters like molecular weight between crosslinks ( M c ), crosslink density ( M r ), volume interaction parameter ( v 2, s ), Flory Huggins water interaction parameter and diffusion coefficient ( Q ) were calculated. Water uptake studies was conducted in different USP phosphate buffer solutions. All samples showed higher swelling ratio with increasing pH values because of ionization of carboxylic groups at higher pH values. Porosity and gel fraction of all the samples were calculated. New selected samples were loaded with the model drug (diclofenac potassium).The amount of drug loaded and released was determined and it was found that all the samples showed higher release of drug at higher pH values. Release of diclofenac potassium was found to be dependent on the ratio of sodium alginate/acrylic acid, EGDMA and pH of the medium. Experimental data was fitted to various model equations and corresponding parameters were calculated to study the release mechanism. The Structural, Morphological and Thermal Properties of interpenetrating hydrogels were studied by FTIR, XRD, DSC, and SEM.

Third-order Zeeman effect in highly charged ions

NASA Astrophysics Data System (ADS)

Varentsova, A. S.; Agababaev, V. A.; Volchkova, A. M.; Glazov, D. A.; Volotka, A. V.; Shabaev, V. M.; Plunien, G.

2017-10-01

The contribution of the third order in magnetic field to the Zeeman splitting of the ground state of hydrogenlike, lithiumlike, and boronlike ions in the range Z = 6 - 82 is investigated within the relativistic approach. Both perturbative and non-perturbative methods of calculation are employed and found to be in agreement. For lithiumlike and boronlike ions the interelectronic-interaction effects are taken into account within the approximation of the local screening potential. The contribution of the third-order effect in low- and medium-Z boronlike ions is found to be important for anticipated high-precision measurements.

Constraining the physics of jet quenching

NASA Astrophysics Data System (ADS)

Renk, Thorsten

2012-04-01

Hard probes in the context of ultrarelativistic heavy-ion collisions represent a key class of observables studied to gain information about the QCD medium created in such collisions. However, in practice, the so-called jet tomography has turned out to be more difficult than expected initially. One of the major obstacles in extracting reliable tomographic information from the data is that neither the parton-medium interaction nor the medium geometry are known with great precision, and thus a difference in model assumptions in the hard perturbative Quantum Choromdynamics (pQCD) modeling can usually be compensated by a corresponding change of assumptions in the soft bulk medium sector and vice versa. The only way to overcome this problem is to study the full systematics of combinations of parton-medium interaction and bulk medium evolution models. This work presents a meta-analysis summarizing results from a number of such systematical studies and discusses in detail how certain data sets provide specific constraints for models. Combining all available information, only a small group of models exhibiting certain characteristic features consistent with a pQCD picture of parton-medium interaction is found to be viable given the data. In this picture, the dominant mechanism is medium-induced radiation combined with a surprisingly small component of elastic energy transfer into the medium.

Power flows and Mechanical Intensities in structural finite element analysis

NASA Technical Reports Server (NTRS)

Hambric, Stephen A.

1989-01-01

The identification of power flow paths in dynamically loaded structures is an important, but currently unavailable, capability for the finite element analyst. For this reason, methods for calculating power flows and mechanical intensities in finite element models are developed here. Formulations for calculating input and output powers, power flows, mechanical intensities, and power dissipations for beam, plate, and solid element types are derived. NASTRAN is used to calculate the required velocity, force, and stress results of an analysis, which a post-processor then uses to calculate power flow quantities. The SDRC I-deas Supertab module is used to view the final results. Test models include a simple truss and a beam-stiffened cantilever plate. Both test cases showed reasonable power flow fields over low to medium frequencies, with accurate power balances. Future work will include testing with more complex models, developing an interactive graphics program to view easily and efficiently the analysis results, applying shape optimization methods to the problem with power flow variables as design constraints, and adding the power flow capability to NASTRAN.

3-Methylthio-4-phenyl-5-phenylamino-1,2,4-triazole hexabromotellurate:X-ray and computational study

NASA Astrophysics Data System (ADS)

Fizer, Maksym; Slivka, Mikhailo; Mariychuk, Ruslan; Baumer, Vjacheslav; Lendel, Vasil

2018-06-01

The structure of a newly synthesized 3-methylthio-4-phenyl-5-phenylamino-1,2,4-triazole 1 and its hexabromotellurate salt 2 was investigated. The X-ray diffraction study of 2 gives the insight on the different interaction types in the crystal. The DFT calculations were used for the comprehensive study of the intramolecular and intermolecular forces that are present in the title 3-methylthio-4-phenyl-5-phenylamino-1,2,4-triazole hexabromotellurate. The presence of three different aromatic moieties in the investigated compounds cause π-π stacking interactions which were studied through the Hirshfeld surface analysis and with the discrimination of weak interaction types by filling color to a reduced density gradient (RDG) function isosurface. The RDG in the crystalline state was calculated upon experimental molecular geometry by partitions of the crystal to QM part that was calculated at M06-L/6-311G(d,p) level, and the semi-empirical QM part that was modeled with the PM7 method in QM/MM-like manner. The reactivity of 3-methylthio-4-phenyl-5-phenylamino-1,2,4-triazole and its protonated form was also discussed in terms of conceptual DFT theory and it shows the tendency of sulfur to be the most active center in an electrophilic and radical attack, whereas the site for nucleophilic substitution is medium dependent and not an unequivocal. NICS(1) index was used for the analysis of aromaticity of three different cyclic moieties. The present study insights the changes in the structure of a polyfunctional substituted triazole upon its protonation and explains these changes with the analysis of weak interactions.

Thermal analysis of Malaysian double storey housing - low/medium cost unit

NASA Astrophysics Data System (ADS)

Normah, M. G.; Lau, K. Y.; Yusoff, S. Mohd.

2012-06-01

Almost half of the total energy used today is consumed in buildings. In the tropical climate, air-conditioning a housing unit takes much of the energy bill. Malaysia is no exception. Malaysian double storey terrace housing is popular among developers and buyers. Surveys have shown that housing occupants are much dissatisfied with the thermal comfort and artificial cooling is often sought. The objective of this study is to assess the thermal comfort of the low and medium-cost double storey housing in the area surrounding Universiti Teknologi Malaysia. A simulation program using the Weighting Factor Method calculates the heat transfer interaction, temperature distribution, and PMV level in three types of housing units in relation to the size. Fanger's PMV model based on ISO Standard 7730 is used here because it accounts for all parameters that affect the thermal sensation of a human within its equation. Results showed that both the low and medium-cost housing units studied are out of the comfortable range described by ASHRAE Standard 55 with the units all complied with the local bylaws. In view of the uncertainties in energy supply, future housing units should consider natural ventilation as part of the passive energy management.

Polarization Transfer in the Reaction 4He($$\\vec{v}$$,e'$$\\vec{p}$$) 3H in the Quasielastic Scattering Region

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

Dieterich, Sonja

2002-05-01

There has been a longstanding issue concerning possible nucleon modifications in a (dense) nuclear medium. Polarization transfer data for exclusive quasielastic electron scattering are a sensitive to the ratio of the electric and magnetic nucleon form factors in the medium. Although proper interpretation of the results requires accounting for such effects as final state interactions and meson exchange currents, their effect on polarization transfer is predicted to be small. Studies of model dependencies, e.g., the off-shell current operator and spinor distortions, have been done. Final results of a measurement of polarization transfer in the 4He(more » $$\\vec{v}$$,e'$$\\vec{p}$$) 3H reaction will be discussed. The experiments were carried out at MAMI, Mainz at a Q 2 of 0.4 GeV 2 and at the Thomas Jefferson Lab, Newport News, Virginia at the Q 2 values 0.5, 1.0, 1.6 and 2.6 GeV 2. Measured values of the transferred and induced polarization are compared with various theoretical calculations. The experiment showed a difference between the fully relativistic model with may indicate medium modifications of the form factor.« less

Probing the Hardest Branching within Jets in Heavy-Ion Collisions

NASA Astrophysics Data System (ADS)

Chien, Yang-Ting; Vitev, Ivan

2017-09-01

Heavy ion collisions present exciting opportunities to study the effects of quantum coherence in the formation of subatomic particle showers. We report on the first calculation of the momentum sharing and angular separation distributions between the leading subjets inside a reconstructed jet in such collisions. These observables are directly sensitive to the hardest branching within jets and can probe the early stage of the jet formation. We find that the leading-order medium-induced splitting functions, here obtained in the framework of soft-collinear effective theory with Glauber gluon interactions, capture the essential many-body physics, which is different from proton-proton reactions. Qualitative and in most cases quantitative agreement between theory and preliminary CMS measurements suggests that hard parton branching in strongly interacting matter can be dramatically modified. We also propose a new measurement that will illuminate its angular structure.

Probing the Hardest Branching within Jets in Heavy-Ion Collisions.

PubMed

Chien, Yang-Ting; Vitev, Ivan

2017-09-15

Heavy ion collisions present exciting opportunities to study the effects of quantum coherence in the formation of subatomic particle showers. We report on the first calculation of the momentum sharing and angular separation distributions between the leading subjets inside a reconstructed jet in such collisions. These observables are directly sensitive to the hardest branching within jets and can probe the early stage of the jet formation. We find that the leading-order medium-induced splitting functions, here obtained in the framework of soft-collinear effective theory with Glauber gluon interactions, capture the essential many-body physics, which is different from proton-proton reactions. Qualitative and in most cases quantitative agreement between theory and preliminary CMS measurements suggests that hard parton branching in strongly interacting matter can be dramatically modified. We also propose a new measurement that will illuminate its angular structure.

Interventions based on self-management of well-being theory: pooling data to demonstrate mediation and ceiling effects, and to compare formats.

PubMed

Goedendorp, M M; Steverink, N

2017-09-01

Interventions based on self-management of well-being (SMW) theory have shown positive effects, but additional questions remain: (1) Are improvements in well-being, as induced by the interventions, mediated by improved self-management ability (SMA)? (2) Do the interventions show ceiling effects? (3) Is a particular format of SMW intervention (individual, group, or self-help) more effective? Data of three randomized controlled trials were pooled. The greater part of the sample (N = 445) consisted of single older females. A bootstrap analysis was performed to test for mediation. Regression analyses with interaction effects were performed to test for ceiling effects. Controlled and transformed effect sizes (proportion of maximum change) were calculated to compare formats. There was a full significant mediation of well-being by SMA. A significant interaction (ceiling) effect was found on well-being, but not on SMA. The controlled effect sizes of the raw scores were small to medium (.04-.49), and were small to large after transformation (.41-.73). None of the intervention formats was more effective. Support for SMW theory was found, i.e. increasing self-management ability lead to improved well-being. Some ceiling effect was found. We conclude that various SMW interventions formats can improve self-management abilities and well-being with medium effects.

In-medium properties of pseudoscalar D_s and B_s mesons

NASA Astrophysics Data System (ADS)

Chhabra, Rahul; Kumar, Arvind

2017-11-01

We calculate the shift in the masses and decay constants of D_s(1968) and B_s(5370) mesons in hot and dense asymmetric strange hadronic matter using QCD sum rules and chiral SU(3) model. In-medium strange quark condensates < \\bar{s}s> _{ρ _B}, and gluon condensates < α s/π {G^a}_{μ ν } {G^a}^{μ ν } > _{ρ _B}, to be used in the QCD sum rules for pseudoscalar D_s and B_s mesons, are calculated using a chiral SU(3) model. As an application of our present work, we calculate the in-medium decay widths of the excited (c\\bar{s}) states D_s^*(2715) and D_s^*(2860) decaying to (D_s(1968),η ) mesons. The medium effects in their decay widths are incorporated through the mass modification of the D_s(1968) and η mesons. The results of the present investigation may be helpful in understanding the possible outcomes of the future experiments like CBM and PANDA under the FAIR facility.

Medium Suppression of In medium Nucleon-Nucleon Cross Sections Predicted with Various Microscopic Calculations

NASA Astrophysics Data System (ADS)

Xing, Yong-Zhong; Lu, Fei-Ping; Wei, Xiao-Ping; Zheng, Yu-Ming

2014-08-01

The nucleon-nucleon cross sections in the dense nuclear matter are microscopically calculated by using Dirac—Brueckner—Hartree—Fock (DBHF) approximation with different covariant representations of the T-matrix, i.e., complete pseudo-vector (CPV), pseudoscalar (PS) and pseudo-vector (PV) choices. Special attention is paid to the discrepancies among the cross sections calculated with these different T-matrix project choices. The results show that the medium suppression of the cross section given by DBHF in the CPV choice is not only smaller than those obtained in both PS and PV choices, but also smaller than the predictions with a nonrelativistic Brueckner—Hartree—Fock (BHF) method including three body force (3BF). The further analysis reveals that the influence of the different choices on the cross section in the DBHF approximation is mainly determined by the state of smaller total angular momentum due to the medium effect being strongly suppressed in the higher angular momentum.

Blackbody emission from light interacting with an effective moving dispersive medium.

PubMed

Petev, M; Westerberg, N; Moss, D; Rubino, E; Rimoldi, C; Cacciatori, S L; Belgiorno, F; Faccio, D

2013-07-26

Intense laser pulses excite a nonlinear polarization response that may create an effective flowing medium and, under appropriate conditions, a blocking horizon for light. Here, we analyze in detail the interaction of light with such laser-induced flowing media, fully accounting for the medium dispersion properties. An analytical model based on a first Born approximation is found to be in excellent agreement with numerical simulations based on Maxwell's equations and shows that when a blocking horizon is formed, the stimulated medium scatters light with a blackbody emission spectrum. Based on these results, diamond is proposed as a promising candidate medium for future studies of Hawking emission from artificial, dispersive horizons.

Optical activity via Kerr nonlinearity in a spinning chiral medium

NASA Astrophysics Data System (ADS)

Khan, Anwar Ali; Bacha, Bakht Amin; Khan, Rahmat Ali

2016-11-01

Optical activity is investigated in a chiral medium by employing the four level cascade atomic model, in which the optical responses of the atomic medium are studied with Kerr nonlinearity. Light entering into a chiral medium splits into circular birefringent beams. The angle of divergence between the circular birefringent beams and the polarization states of the two light beams is manipulated with Kerr nonlinearity. In the stationary chiral medium the angle of divergence between the circular birefringent beams is calculated to be 1.3 radian. Furthermore, circular birefringence is optically controlled in a spinning chiral medium, where the maximum rotary photon drag angle for left (right) circularly polarized beam is ±1.1 (±1.5) microradian. The change in the angle of divergence between circular birefringent beams by rotary photon drag is calculated to be 0.4 microradian. The numerical results may help to understand image designing, image coding, discovery of photonic crystals and optical sensing technology.

Adsorption behavior of COF2 and CF4 gas on the MoS2 monolayer doped with Ni: A first-principles study

NASA Astrophysics Data System (ADS)

Li, Yi; Zhang, Xiaoxing; Chen, Dachang; Xiao, Song; Tang, Ju

2018-06-01

CF4 and COF2 are the two main decomposition products of fluorocarbon gas insulating medium. We explored the gas sensing properties of Ni-MoS2 to CF4 and COF2 based on the density functional theory calculations. The adsorption energy, charge transfer, density of states and electron density difference have been discussed. It was found that the interaction between COF2 molecule and Ni-MoS2 is strong, and the adsorption energy is 0.723 eV. Ni-MoS2 acts as the electron donor and transfers some electrons to COF2 molecule during the interaction. The adsorption energy of CF4 on Ni-MoS2 is lower than that of COF2, and the interaction between them belongs to physical adsorption. Ni-MoS2 has the potential to be used as a gas sensor for COF2 detection using in the field of gas insulated switchgear on-line monitoring.

A Study on Perception of Lecturer-Student Interaction in English Medium Science Lectures

ERIC Educational Resources Information Center

Navaz, Abdul Majeed Mohamed

2013-01-01

This paper, which is a part of a thesis, investigates the perception and practice of lecturers and students with regard to lecturer-student interaction in English medium science lectures of a university in Sri Lanka where English is a second language. This paper argues that dialogic lecturer-student interaction, which enables students to take a…

Localized N, {lambda}, {sigma}, and {xi} single-particle potentials in finite nuclei calculated with SU{sub 6} quark-model baryon-baryon interactions

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

Kohno, M.; Fujiwara, Y.

Localized single-particle potentials for all octet baryons, N, {lambda}, {sigma}, and {xi}, in finite nuclei, {sup 12}C, {sup 16}O, {sup 28}Si, {sup 40}Ca, {sup 56}Fe, and {sup 90}Zr, are calculated using the quark-model baryon-baryon interactions. G matrices evaluated in symmetric nuclear matter in the lowest order Brueckner theory (LOBT) are applied to finite nuclei in local density approximation. Nonlocal potentials are localized by a zero-momentum Wigner transformation. Empirical single-particle properties of the nucleon and the {lambda} hyperon in a nuclear medium have been known to be explained semiquantitatively in the LOBT framework. Attention is focused in the present consideration onmore » predictions for the {sigma} and {xi} hyperons. The unified description for the octet baryon-baryon interactions by the SU{sub 6} quark model enables us to obtain less ambiguous extrapolation to the S=-1 and S=-2 sectors based on the knowledge in the NN sector than other potential models. The {sigma} mean field is shown to be weakly attractive at the surface, but turns out to be repulsive inside, which is consistent with the experimental evidence. The {xi} hyperon s.p. potential is also attractive at the nuclear surface region, and inside it fluctuates around zero. Hence {xi} hypernuclear bound states are unlikely. We also evaluate energy shifts of the {sigma}{sup -} and {xi}{sup -} atomic levels in {sup 28}Si and {sup 56}Fe, using the calculated s.p. potentials.« less

Calculation of Transfer Functions of Multilayer Biotissues in the Problems of Correction of Their Fluorescence Spectra

NASA Astrophysics Data System (ADS)

Lysenko, S. A.

2018-01-01

A method for rapid calculation of a flux of stimulated fluorescence of a multilayer optically dense medium with inhomogeneous distribution of the fluorophore has been developed. The light field in the medium at the excitation wavelength of fluorescence is represented by a superposition of incident collimated, incident diffuse, and reflected diffuse fluxes. A two-stream approximation is used to describe the light field in the medium at the wavelength of emission of the fluorescence. Fluxes in adjacent elementary layers of the medium and on its surface are connected by simple matrix operators that are obtained using a combination of engineering approaches of radiation-transfer theory and single-scattering approximation. The calculations of fluorescence fluxes of a four-layer biotissue that are excited and recorded at 400-800 nm are compared with their Monte Carlo simulation with a discrepancy of 1%. The effect of the propagation medium on the fluorescence spectra of 5-ALA-induced protoporphyrin IX that are recorded from human skin was studied, and a technique for their correction that is based on measurements and quantitative analysis of the diffuse reflectance spectrum of skin was proposed.

Properties of charmonia in a hot equilibrated medium

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

Giannuzzi, Floriana; Mannarelli, Massimo

2009-09-01

We investigate the properties of charmonia in a thermal medium, showing that with increasing temperature the decay widths of these mesons behave in a nontrivial way. Our analysis is based on a potential model with interaction potential extracted from thermal lattice QCD calculations of the free-energy of a static quark-antiquark pair. We find that in the crossover region some decay widths are extremely enhanced. In particular, at temperatures T{approx}T{sub c} the decay widths of the J/{psi} that depend on the value of the wave function at the origin are enhanced with respect to the values in vacuum by about amore » factor 2. In the same temperature range the decay width of the process {chi}{sub cJ}{yields}J/{psi}+{gamma} is enhanced by approximately a factor 6 with respect to the value in vacuum. At higher temperatures the charmonia states dissociate and the widths of both decay processes become vanishing small.« less

The Investigation of Ghost Fluid Method for Simulating the Compressible Two-Medium Flow

NASA Astrophysics Data System (ADS)

Lu, Hai Tian; Zhao, Ning; Wang, Donghong

2016-06-01

In this paper, we investigate the conservation error of the two-dimensional compressible two-medium flow simulated by the front tracking method. As the improved versions of the original ghost fluid method, the modified ghost fluid method and the real ghost fluid method are selected to define the interface boundary conditions, respectively, to show different effects on the conservation error. A Riemann problem is constructed along the normal direction of the interface in the front tracking method, with the goal of obtaining an efficient procedure to track the explicit sharp interface precisely. The corresponding Riemann solutions are also used directly in these improved ghost fluid methods. Extensive numerical examples including the sod tube and the shock-bubble interaction are tested to calculate the conservation error. It is found that these two ghost fluid methods have distinctive performances for different initial conditions of the flow field, and the related conclusions are made to suggest the best choice for the combination.

Spin-orbit beams for optical chirality measurement

NASA Astrophysics Data System (ADS)

Samlan, C. T.; Suna, Rashmi Ranjan; Naik, Dinesh N.; Viswanathan, Nirmal K.

2018-01-01

Accurate measurement of chirality is essential for the advancement of natural and pharmaceutical sciences. We report here a method to measure chirality using non-separable states of light with geometric phase-gradient in the circular polarization basis, which we refer to as spin-orbit beams. A modified polarization Sagnac interferometer is used to generate spin-orbit beams wherein the spin and orbital angular momentum of the input Gaussian beam are coupled. The out-of-phase interference between counter-propagating Gaussian beams with orthogonal spin states and lateral-shear or/and linear-phase difference between them results in spin-orbit beams with linear and azimuthal phase gradient. The spin-orbit beams interact efficiently with the chiral medium, inducing a measurable change in the center-of-mass of the beam, using the polarization rotation angle and hence the chirality of the medium are accurately calculated. Tunable dynamic range of measurement and flexibility to introduce large values of orbital angular momentum for the spin-orbit beam, to improve the measurement sensitivity, highlight the techniques' versatility.

Photoinduced electron transfer interaction of anthraquinones with aniline quenchers: Influence of methyl substitution in aniline donors

NASA Astrophysics Data System (ADS)

Sivakumar, V.; Ponnamma, Deepalekshmi; Hussein, Yasser H. A.

2017-02-01

Photoinduced electron transfer between triplet state of 9,10-anthraquinone (AQ) and its two derivatives: 2-chloro-9,10-anthraquinone (CAQ) and sodium anthraquinone-2-sulfonate (AQS) and ground state aniline (AN) and its dimethyl substitutions: 2,3-dimethylaniline (2,3-DMA), 2,6-dimethylaniline (2,6-DMA), 3,5-dimethylaniline (3,5-DMA) and N,N-dimethylaniline (N,N-DMA) is studied using nanosecond laser flash photolysis at room temperature. Detection of radical bands of quinone anions and aniline cations along with their formation and/or decay kinetics are used to confirm the electron transfer (ET) process. In MeCN medium, AN quenches the triplet state of CAQ (CAQT) but not the triplets AQT or AQST. However in aqueous medium, AN quenches AQST and forms radical ion pair. All the DMAs can react through ET with all the triplet quinones at different degrees of efficiency in MeCN medium. Noticeably, the ring substituted DMAs are less efficient in electron donation to AQT or AQST while the N,N-DMA shows high efficiency in donating electron to all triplet quinones in MeCN medium. Charge distribution of donor molecules, in MeCN medium is calculated using density functional theory (DFT), and shows an enhancement of electron density of the ring of N,N-DMA, making it an ideal electron donor for ET studies compared to other DMAs. This systematic selection and usage of anilines with electrochemically tunable quinones can be viewed as a working model of donor-acceptor system that can be utilized in photoinduced ET applications.

Advanced fiber information systems seed coat neps baseline response from diverse mediums

USDA-ARS?s Scientific Manuscript database

An extensive literature search has revealed that no papers have been published regarding selectivity calculation of the AFIS seed coat neps (SCN) determination over interfering material in cotton. A prerequisite to selectivity measurements is to identify suitable fiber medium(s) that give baseline ...

Attenuation of the Acoustic Signal Propagating Through a Bubbly Liquid Layer

NASA Astrophysics Data System (ADS)

Gubaidullin, D. A.; Nikiforov, A. A.

2018-01-01

The acoustic signal dynamics in a five-layer medium containing two liquid layers with polydisperse gas bubbles has been investigated. Calculations have been made for the interaction between the pulse perturbation of smallamplitude pressure and a multilayer sample containing two layers of industrial gel with polydisperse air bubbles. It has been shown that a small content of bubbles (about 0.1 vol. %) in a thin gel layer decreases tenfold or more the amplitude of acoustic waves with frequencies close to the resonance frequency of natural oscillations of bubbles. There are frequency ranges thereby where the influence of the bubbly layer is insignificant.

Nuclear Symmetry Energy and the Breaking of the Isospin Symmetry: How Do They Reconcile with Each Other?

NASA Astrophysics Data System (ADS)

Roca-Maza, X.; Colò, G.; Sagawa, H.

2018-05-01

We analyze and propose a solution to the apparent inconsistency between our current knowledge of the equation of state of asymmetric nuclear matter, the energy of the isobaric analog state (IAS) in a heavy nucleus such as 208Pb, and the isospin symmetry breaking forces in the nuclear medium. This is achieved by performing state-of-the-art Hartree-Fock plus random phase approximation calculations of the IAS that include all isospin symmetry breaking contributions. To this aim, we propose a new effective interaction that is successful in reproducing the IAS excitation energy without compromising other properties of finite nuclei.

Nuclear Symmetry Energy and the Breaking of the Isospin Symmetry: How Do They Reconcile with Each Other?

PubMed

Roca-Maza, X; Colò, G; Sagawa, H

2018-05-18

We analyze and propose a solution to the apparent inconsistency between our current knowledge of the equation of state of asymmetric nuclear matter, the energy of the isobaric analog state (IAS) in a heavy nucleus such as ^{208}Pb, and the isospin symmetry breaking forces in the nuclear medium. This is achieved by performing state-of-the-art Hartree-Fock plus random phase approximation calculations of the IAS that include all isospin symmetry breaking contributions. To this aim, we propose a new effective interaction that is successful in reproducing the IAS excitation energy without compromising other properties of finite nuclei.

Emission processes and dynamics of hot gases in astrophysics

NASA Technical Reports Server (NTRS)

Chevalier, Roger A.; Sarazin, Craig L.

1991-01-01

A detailed model was developed for Kepler's supernova remnant (SNR). Observations of the SNR revealed a strong interaction with the surrounding circumstellar medium, which was studied through both analytical and numerical calculations. Effects were studied of electron thermal conduction on the structure of radiative interstellar shock waves. An explanation is sought for the observed line emission from metal rich ejecta in SNR, incorporating atomic data. Light echoes around SN 1987A was also studied. Analysis of infrared and scattered circumstellar light echoes was accomplished with early observations to set limits on the mass of circumstellar dust. Work was completed on the emission from heavy element gas ejected in the supernova explosion of massive stars. It was assumed that a radioactive energy source was present and calculated the detailed heating and ionization of the gas. The evolution was studied of SNR in the very high pressure environment of a starburst galaxy.

'That proves my point': How mediums reconstrue disconfirmation in medium-sitter interactions.

PubMed

Enoksen, Anette Einan; Dickerson, Paul

2018-04-01

Previous research has examined how the talk of mediums attends to the epistemological status of their readings. Such work has identified that mediums frequently use question-framed propositions that are typically confirmed by the sitter, thereby conferring epistemological status on the medium. This study seeks to investigate what happens when the sitter disconfirms the propositions of the medium. The study focuses on the ways in which such disconfirmation can be responded to such that it is reconstrued as evidence of the psychic nature of the medium's reading. Televised demonstrations of psychic readings involving British and US mediums and their sitters are analysed. The results suggest that mediums rework disconfirmation as proof in several ways: first, by emphasizing the different access that sitter and medium have to knowledge (e.g., about the future); second, as evidence that the medium has access to the actual voice of the deceased (and may therefore mishear what the deceased has said to them); and third, as revealing an important truth that has hitherto been concealed from the sitter. The implications of these findings are considered for cases where speakers bring different and potentially competing, epistemological resources to an interaction. © 2018 The British Psychological Society.

The structural, morphological and thermal properties of grafted pH-sensitive interpenetrating highly porous polymeric composites of sodium alginate/acrylic acid copolymers for controlled delivery of diclofenac potassium

PubMed Central

Jalil, Aamir; Khan, Samiullah; Naeem, Fahad; Haider, Malik Suleman; Sarwar, Shoaib; Riaz, Amna; Ranjha, Nazar Muhammad

2017-01-01

Abstract In present investigation new formulations of Sodium Alginate/Acrylic acid hydrogels with high porous structure were synthesized by free radical polymerization technique for the controlled drug delivery of analgesic agent to colon. Many structural parameters like molecular weight between crosslinks (M c), crosslink density (M r), volume interaction parameter (v 2,s), Flory Huggins water interaction parameter and diffusion coefficient (Q) were calculated. Water uptake studies was conducted in different USP phosphate buffer solutions. All samples showed higher swelling ratio with increasing pH values because of ionization of carboxylic groups at higher pH values. Porosity and gel fraction of all the samples were calculated. New selected samples were loaded with the model drug (diclofenac potassium).The amount of drug loaded and released was determined and it was found that all the samples showed higher release of drug at higher pH values. Release of diclofenac potassium was found to be dependent on the ratio of sodium alginate/acrylic acid, EGDMA and pH of the medium. Experimental data was fitted to various model equations and corresponding parameters were calculated to study the release mechanism. The Structural, Morphological and Thermal Properties of interpenetrating hydrogels were studied by FTIR, XRD, DSC, and SEM. PMID:29491802

An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings

NASA Astrophysics Data System (ADS)

Maffucci, Irene; Hu, Xiao; Fumagalli, Valentina; Contini, Alessandro

2018-03-01

Nwat-MMGBSA is a variant of MM-PB/GBSA based on the inclusion of a number of explicit water molecules that are the closest to the ligand in each frame of a molecular dynamics trajectory. This method demonstrated improved correlations between calculated and experimental binding energies in both protein-protein interactions and ligand-receptor complexes, in comparison to the standard MM-GBSA. A protocol optimization, aimed to maximize efficacy and efficiency, is discussed here considering penicillopepsin, HIV1-protease, and BCL-XL as test cases. Calculations were performed in triplicates on both classic HPC environments and on standard workstations equipped by a GPU card, evidencing no statistical differences in the results. No relevant differences in correlation to experiments were also observed when performing Nwat-MMGBSA calculations on 4 ns or 1 ns long trajectories. A fully automatic workflow for structure-based virtual screening, performing from library set-up to docking and Nwat-MMGBSA rescoring, has then been developed. The protocol has been tested against no rescoring or standard MM-GBSA rescoring within a retrospective virtual screening of inhibitors of AmpC β-lactamase and of the Rac1-Tiam1 protein-protein interaction. In both cases, Nwat-MMGBSA rescoring provided a statistically significant increase in the ROC AUCs of between 20% and 30%, compared to docking scoring or to standard MM-GBSA rescoring.

Determination of the Contact Angle Based on the Casimir Effect

NASA Technical Reports Server (NTRS)

Mazuruk, K.; Volz, M. P.

2015-01-01

In several crystal growth processed based on capillarity, a melt comes into contact with a crucible wall at an angle defined as the contact angle. For molten metals and semiconductors, this contact angle is dependent upon both the crucible and melt material and typical values fall in the range 80-170deg. However, on a microscopic scale, there does not exist a precise and sharp contact angle but rather the melt and solid surfaces merge smoothly and continuously over a distance of up to several micrometers. Accurate modeling requires a more advanced treatment of this interaction. The interaction between the melt and solid surfaces can be calculated by considering two forces: a short-range repulsive force and a longer range (up to a few micrometers) Casimir force. The Casimir force between the two bodies of complex geometry is calculated using a retarded temperature Green's function (Matsubara type) for the photon in the medium. The governing equations are cast in the form of a set of boundary integral equations which are then solved numerically for the case of molten Ge on SiO2. The shape of the molten surface approaching the flat solid body is determined, and the contact angle is defined as the angle between the two surfaces at the microscopically asymptotic distance of 1-2 micrometers. The formulation of this model and the results of the numerical calculations will be presented and discussed.

Restricted active space calculations of L-edge X-ray absorption spectra: from molecular orbitals to multiplet states.

PubMed

Pinjari, Rahul V; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael; Lundberg, Marcus

2014-09-28

The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d(5)) model systems with well-known electronic structure, viz., atomic Fe(3+), high-spin [FeCl6](3-) with ligand donor bonding, and low-spin [Fe(CN)6](3-) that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

Calculation of the radiative heat exchange in a conical cavity of complex configuration with an absorptive medium

NASA Technical Reports Server (NTRS)

Surinov, Y. A.; Fedyanin, V. E.

1975-01-01

The generalized zonal method is used to calculate the distribution of the temperature factor on the lateral surface of a conical cavity of complex configuration (a Laval nozzle) containing an absorptive medium. The highest values of the radiation density occur on the converging part of the lateral surface of the complex conical cavity (Laval nozzle).

Quasi-dynamic Earthquake Cycle Simulation in a Viscoelastic Medium with Memory Variables

NASA Astrophysics Data System (ADS)

Hirahara, K.; Ohtani, M.; Shikakura, Y.

2011-12-01

Earthquake cycle simulations based on rate and state friction laws have successfully reproduced the observed complex earthquake cycles at subduction zones. Most of simulations have assumed elastic media. The lower crust and the upper mantle have, however, viscoelastic properties, which cause postseismic stress relaxation. Hence the slip evolution on the plate interfaces or the faults in long earthquake cycles is different from that in elastic media. Especially, the viscoelasticity plays an important role in the interactive occurrence of inland and great interplate earthquakes. In viscoelastic media, the stress is usually calculated by the temporal convolution of the slip response function matrix and the slip deficit rate vector, which needs the past history of slip rates at all cells. Even if properly truncating the convolution, it requires huge computations. This is why few simulation studies have considered viscoelastic media so far. In this study, we examine the method using memory variables or anelastic functions, which has been developed for the time-domain finite-difference calculation of seismic waves in a dissipative medium (e.g., Emmerich and Korn,1987; Moczo and Kristek, 2005). The procedure for stress calculation with memory variables is as follows. First, we approximate the time-domain slip response function calculated in a viscoelastic medium with a series of relaxation functions with coefficients and relaxation times derived from a generalized Maxell body model. Then we can define the time-domain material-independent memory variable or anelastic function for each relaxation mechanism. Each time-domain memory variable satisfies the first-order differential equation. As a result, we can calculate the stress simply by the product of the unrelaxed modulus and the slip deficit subtracted from the sum of memory variables without temporal convolution. With respect to computational cost, we can summarize as in the followings. Dividing the plate interface into N cells, in elastic media, the stress at all cells is calculated by the product of the slip response function matrix and the slip deficit vector. The computational cost is O(N**2). With H-matrices method, we can reduce this to O(N)-O(NlogN) (Ohtani et al. 2011). The memory size is also reduced from O(N**2) to O(N). In viscoelastic media, the product of the unrelaxed modulus matrix and the vector of the slip deficit subtracted from the sum of memory variables costs O(N) with H-matrices method, which is the same as in elastic ones. If we use m relaxation functions, m x N differential equations are additionally solved at a time. The increase in memory size is (4m+1) x N**2. For approximation of slip response function, we need to estimate coefficients and relaxation times for m relaxation functions non-linearly with constraints. Because it is difficult to execute the non-linear least square estimation with constraints, we consider only m=2 with satisfying constraints. Test calculations in a layered or 3-D heterogeneous viscoelastic structure show this gives the satisfactory approximation. As an example, we report a 2-D earthquake cycle simulation for the 2011 giant Tohoku earthquake in a layered viscoelastic medium.

Mechanism of the dielectric enhancement in polymer-alumina nano-particle composites

NASA Astrophysics Data System (ADS)

Jacob, Rebecca; Jacob, Anne Pavitra; Mainwaring, David E.

2009-09-01

Polymer-alumina nano-composites with enhanced dielectric properties as a possibility to enable the miniaturization of devices have been reported. The enhancement of dielectric properties was found to be unique to the polymer. In the present work, the mechanism of the dielectric enhancement is established by performing ab initio molecular orbital calculations in order to study the molecular interactions in the interfacial region between the alumina-nano-particle surface and the polymer medium. The calculations predict the existence of strong electrostatic attraction between the positive charge on the aluminium of the alumina clusters and the negative charge of the oxygens of the polymer at the polymer-nano-particle interface resulting in an increase in the dipole moment and the polarization of the system leading to enhanced dielectric properties. The oxygen thus plays a dual role by involving in covalent bonding with the polymer chain and electrostatic bonding interactions with the alumina nano-particles. The unique structure of the polymer provides the highly electronegative oxygens, as carbonyl groups or ether linkages in conjugation with aromatic rings in an extended polymer chain system, facilitating this type of bonding at the interface.

Collision broadened resonance localization in tokamaks excited with ICRF waves

NASA Astrophysics Data System (ADS)

Kerbel, G. D.; McCoy, M. G.

1985-08-01

Advanced wave models used to evaluate ICRH in tokamaks typically use warm plasma theory and allow inhomogeneity in one dimension. The authors have developed a bounce-averaged Fokker-Planck quasilinear computational model which evolves the population of particles on more realistic orbits. Each wave-particle resonance has its own specific interaction amplitude within any given volume element. These data need only be generated once, and appropriately stored for efficient retrieval. The wave-particle resonant interaction then serves as a mechanism by which the diffusion of particle populations can proceed among neighboring orbits. Collisions affect the absorption of RF energy by two quite distinct processes: In addition to the usual relaxation towards the Maxwellian distribution creating velocity gradients which drive quasilinear diffusion, collisions also affect the wave-particle resonance through the mechanism of gyro-phase diffusion. The local specific spectral energy absorption rate is directly calculable once the orbit geometry and populations are determined. The code is constructed in such fashion as to accommodate wave propagation models which provide the wave spectral energy density on a poloidal cross-section. Information provided by the calculation includes the local absorption properties of the medium which can then be exploited to evolve the wave field.

Adsorption and Corrosion Inhibition Studies of Some Selected Dyes as Corrosion Inhibitors for Mild Steel in Acidic Medium: Gravimetric, Electrochemical, Quantum Chemical Studies and Synergistic Effect with Iodide Ions.

PubMed

Peme, Thabo; Olasunkanmi, Lukman O; Bahadur, Indra; Adekunle, Abolanle S; Kabanda, Mwadham M; Ebenso, Eno E

2015-09-02

The corrosion inhibition properties of some organic dyes, namely Sunset Yellow (SS), Amaranth (AM), Allura Red (AR), Tartrazine (TZ) and Fast Green (FG), for mild steel corrosion in 0.5 M HCl solution, were investigated using gravimetric, potentiodynamic polarization techniques and quantum chemical calculations. The results showed that the studied dyes are good corrosion inhibitors with enhanced inhibition efficiencies. The inhibition efficiency of all the studied dyes increases with increase in concentration, and decreases with increase in temperature. The results showed that the inhibition efficiency of the dyes increases in the presence of KI due to synergistic interactions of the dye molecules with iodide (I(-)) ions. Potentiodynamic polarization results revealed that the studied dyes are mixed-type inhibitors both in the absence and presence of KI. The adsorption of the studied dyes on mild steel surface, with and without KI, obeys the Langmuir adsorption isotherm and involves physical adsorption mechanism. Quantum chemical calculations revealed that the most likely sites in the dye molecules for interactions with mild steel are the S, O, and N heteroatoms.

Self-assembly of diphenylalanine with preclick components as capping groups.

PubMed

Gemma, Andrea; Mayans, Enric; Ballano, Gema; Torras, Juan; Díaz, Angélica; Jiménez, Ana I; Puiggalí, Jordi; Cativiela, Carlos; Alemán, Carlos

2017-10-11

Alkyne and azide, which are commonly used in the cycloaddition reaction recognized as "click chemistry", have been used as capping groups of two engineered diphenylalanine (FF) derivatives due to their ability to form weak intermolecular interactions (i.e. dipole-π and π-π stacking). In Poc-FF-N 3 , alkyne and azide act as N- and C-terminal capping groups, respectively, while such positions are exchanged in N 3 -FF-OPrp. The self-assembly of such two synthesized peptides has been extensively studied in their "pre-click" state, considering the influence of three different factors: the peptide concentration, the polarity of the medium, and the nature of the substrate. Poc-FF-N 3 assembles into microfibers that, depending on the medium and the substrate, can aggregate hierarchically in supramolecular structures with different morphologies. The most distinctive one corresponds to very stable birefringent dendritic-like microstructures, which are derived from the ordered agglomeration of microfibers. These branched supramolecular structures, which are observed under a variety of conditions, are relatively uncommon in short FF sequences. At the molecular level, Poc-FF-N 3 organizes in antiparallel β-sheets stabilized by N-HO intermolecular hydrogen bonds and re-enforced by weak interactions between the azide and alkyne groups of neighbouring molecules. In contrast, N 3 -FF-OPrp exhibits a very poor tendency to organize into structures with a well-defined morphology. Theoretical calculations on model complexes indicate that the tendency of the latter peptide to organize into small amorphous agglomerates is due to its poor ability to form specific intermolecular interactions in comparison with Poc-FF-N 3 . The implications of the weak interactions induced by the alkyne and azide groups, which strengthen peptidepeptide hydrogen bonds and π-ladders due to the stacked aromatic phenyl side groups, are discussed.

Piezonuclear battery

DOEpatents

Bongianni, Wayne L.

1992-01-01

A piezonuclear battery generates output power arising from the piezoelectric voltage produced from radioactive decay particles interacting with a piezoelectric medium. Radioactive particle energy may directly create an acoustic wave in the piezoelectric medium or a moderator may be used to generate collision particles for interacting with the medium. In one embodiment a radioactive material (.sup.252 Cf) with an output of about 1 microwatt produced a 12 nanowatt output (1.2% conversion efficiency) from a piezoelectric copolymer of vinylidene fluoride/trifluorethylene.

Spectral method for the static electric potential of a charge density in a composite medium

NASA Astrophysics Data System (ADS)

Bergman, David J.; Farhi, Asaf

2018-04-01

A spectral representation for the static electric potential field in a two-constituent composite medium is presented. A theory is developed for calculating the quasistatic eigenstates of Maxwell's equations for such a composite. The local physical potential field produced in the system by a given source charge density is expanded in this set of orthogonal eigenstates for any position r. The source charges can be located anywhere, i.e., inside any of the constituents. This is shown to work even if the eigenfunctions are normalized in an infinite volume. If the microstructure consists of a cluster of separate inclusions in a uniform host medium, then the quasistatic eigenstates of all the separate isolated inclusions can be used to calculate the eigenstates of the total structure as well as the local potential field. Once the eigenstates are known for a given host and a given microstructure, then calculation of the local field only involves calculating three-dimensional integrals of known functions and solving sets of linear algebraic equations.

Elasticity-induced force reversal between active spinning particles in dense passive media

PubMed Central

Aragones, J. L.; Steimel, J. P.; Alexander-Katz, A.

2016-01-01

The self-organization of active particles is governed by their dynamic effective interactions. Such interactions are controlled by the medium in which such active agents reside. Here we study the interactions between active agents in a dense non-active medium. Our system consists of actuated, spinning, active particles embedded in a dense monolayer of passive, or non-active, particles. We demonstrate that the presence of the passive monolayer alters markedly the properties of the system and results in a reversal of the forces between active spinning particles from repulsive to attractive. The origin of such reversal is due to the coupling between the active stresses and elasticity of the system. This discovery provides a mechanism for the interaction between active agents in complex and structured media, opening up opportunities to tune the interaction range and directionality via the mechanical properties of the medium. PMID:27112961

Scale-space measures for graph topology link protein network architecture to function.

PubMed

Hulsman, Marc; Dimitrakopoulos, Christos; de Ridder, Jeroen

2014-06-15

The network architecture of physical protein interactions is an important determinant for the molecular functions that are carried out within each cell. To study this relation, the network architecture can be characterized by graph topological characteristics such as shortest paths and network hubs. These characteristics have an important shortcoming: they do not take into account that interactions occur across different scales. This is important because some cellular functions may involve a single direct protein interaction (small scale), whereas others require more and/or indirect interactions, such as protein complexes (medium scale) and interactions between large modules of proteins (large scale). In this work, we derive generalized scale-aware versions of known graph topological measures based on diffusion kernels. We apply these to characterize the topology of networks across all scales simultaneously, generating a so-called graph topological scale-space. The comprehensive physical interaction network in yeast is used to show that scale-space based measures consistently give superior performance when distinguishing protein functional categories and three major types of functional interactions-genetic interaction, co-expression and perturbation interactions. Moreover, we demonstrate that graph topological scale spaces capture biologically meaningful features that provide new insights into the link between function and protein network architecture. Matlab(TM) code to calculate the scale-aware topological measures (STMs) is available at http://bioinformatics.tudelft.nl/TSSA © The Author 2014. Published by Oxford University Press.

Quantum Tunneling Contribution for the Activation Energy in Microwave-Induced Reactions.

PubMed

Kuhnen, Carlos A; Dall'Oglio, Evandro L; de Sousa, Paulo T

2017-08-03

In this study, a quantum approach is presented to explain microwave-enhanced reaction rates by considering the tunneling effects in chemical reactions. In the Arrhenius equation, the part of the Hamiltonian relative to the interaction energy during tunneling, between the particle that tunnels and the electrical field defined in the medium, whose spatial component is specified by its rms value, is taken into account. An approximate evaluation of the interaction energy leads to a linear dependence of the effective activation energy on the applied field. The evaluation of the rms value of the field for pure liquids and reaction mixtures, through their known dielectric properties, leads to an appreciable reduction in the activation energies for the proton transfer process in these liquids. The results indicate the need to move toward the use of more refined methods of modern quantum chemistry to calculate more accurately field-induced reaction rates and effective activation energies.

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

Kang, Zhong -Bo; Vitev, Ivan Mateev; Xing, Hongxi

Here, vector-boson-tagged jet production in collisions of heavy nuclei opens new opportunities to study parton shower formation and propagation in strongly interacting matter. It has been argued to provide a golden channel that can constrain the energy loss of jets in the quark-gluon plasma created in heavy ion reactions. We present theoretical results for isolated-photon-tagged and Z 0-boson-tagged jet production in Pb + Pb collisions with √s NN = 5.02TeV at the LHC. Specifically, we evaluate the transverse momentum imbalance x JV distribution and nuclear modification factor I AA of tagged jets and compare our theoretical calculations to recent experimentalmore » measurements by ATLAS and CMS collaborations. Our analysis, which includes both collisional and radiative energy losses, sheds light on their relative importance versus the strength of jet-medium interactions and helps quantify the amount of out-of-cone radiation of predominantly prompt quark-initiated jets.« less

Nanoscale multireference quantum chemistry: full configuration interaction on graphical processing units.

PubMed

Fales, B Scott; Levine, Benjamin G

2015-10-13

Methods based on a full configuration interaction (FCI) expansion in an active space of orbitals are widely used for modeling chemical phenomena such as bond breaking, multiply excited states, and conical intersections in small-to-medium-sized molecules, but these phenomena occur in systems of all sizes. To scale such calculations up to the nanoscale, we have developed an implementation of FCI in which electron repulsion integral transformation and several of the more expensive steps in σ vector formation are performed on graphical processing unit (GPU) hardware. When applied to a 1.7 × 1.4 × 1.4 nm silicon nanoparticle (Si72H64) described with the polarized, all-electron 6-31G** basis set, our implementation can solve for the ground state of the 16-active-electron/16-active-orbital CASCI Hamiltonian (more than 100,000,000 configurations) in 39 min on a single NVidia K40 GPU.

Exploring 3D non-interpenetrated metal-organic framework with malonate-bridged Co(II) coordination polymer: structural elucidation and theoretical study

NASA Astrophysics Data System (ADS)

Hossain, Anowar; Mandal, Tripti; Mitra, Monojit; Manna, Prankrishna; Bauzá, Antonio; Frontera, Antonio; Seth, Saikat Kumar; Mukhopadhyay, Subrata

2017-12-01

A Co(II)-based coordination polymer with tetranuclear cobalt(II)-malonate cluster has been easily generated by aqueous medium self-assembly from Cobalt(II) chloride hexahydrate and malonic acid. The structure exhibits a non-interpenetrating, highly undulating two-dimensional (2D) bi-layer network with (4,4) topology. The crystal structure is composed of infinite interdigitated 2D metal-organic bi-layers which extended to an intricate 3D framework through the interbilayer hydrogen bonds. We have studied energetically by means of Density Functional Theory (DFT) calculations the H-bonding interactions that connect the 2D metal-organic bi-layers. The finite theoretical models have been used to compute conventional O‒H•••O and unconventional C‒H•••O interactions which plays a key role to build 3D architecture.

40 CFR 86.244-94 - Calculations; exhaust emissions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... New Medium-Duty Passenger Vehicles; Cold Temperature Test Procedures § 86.244-94 Calculations; exhaust.... Should NOX measurements be calculated, note that the humidity correction factor is not valid at colder...

40 CFR 86.244-94 - Calculations; exhaust emissions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... New Medium-Duty Passenger Vehicles; Cold Temperature Test Procedures § 86.244-94 Calculations; exhaust.... Should NOX measurements be calculated, note that the humidity correction factor is not valid at colder...

40 CFR 86.244-94 - Calculations; exhaust emissions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... New Medium-Duty Passenger Vehicles; Cold Temperature Test Procedures § 86.244-94 Calculations; exhaust.... Should NOX measurements be calculated, note that the humidity correction factor is not valid at colder...

Influence of the rotor-stator interaction on the dynamic stresses of Francis runners

NASA Astrophysics Data System (ADS)

Guillaume, R.; Deniau, J. L.; Scolaro, D.; Colombet, C.

2012-11-01

Thanks to advances in computing capabilities and Computational Fluid Dynamics (CFD) techniques, it is now possible to calculate realistic unsteady pressure fields in Francis turbines. This paper will explain methods to calculate the structural loads and the dynamic behaviour in order to optimize the turbine design and maximize its reliability and lifetime. Depending on the operating conditions of a Francis turbine, different hydraulic phenomena may impact the mechanical behaviour of the structure. According to their nature, these highly variable phenomena should be treated differently and specifically in order to estimate the potential risks arising on submerged structures, in particular the runner. The operating condition studied thereafter is the point at maximum power with the maximum head. Under this condition, the runner is excited by only one dynamic phenomenon named the Rotor-Stator Interaction (RSI). The origin of the phenomenon is located on the radial gap of the turbine and is the source of pressure fluctuations. A fluid-structure analysis is performed to observe the influence of that dynamic pressure field on the runner behaviour. The first part of the paper deals with the unsteady fluid computation. The RSI phenomenon is totally unsteady so the fluid simulation must take into account the entire machine and its rotation movement, in order to obtain a dynamic pressure field. In the second part of the paper, a method suitable for the RSI study is developed. It is known that the fluctuating pressure in this gap can be described as a sum of spatial components. By evaluating these components in the CFD results and on the scale model, it is possible to assess the relevance of the numerical results on the whole runner. After this step, the numerical pressure field can be used as the dynamic load of the structure. The final part of the paper presentsthe mechanical finite element calculations. A modal analysis of the runner in water and a harmonic analysis of its dynamic behaviour using the CFD results are carried out. These calculations will show that the RSI on the medium head Francis runner does not create damage on the runner even if the natural frequencies are closed to the wicket gates passing frequency. The numerical results are reinforced by experimental observations done on runner prototypes showing that the wicket gates passing frequency does not have significant influence on low and medium head Francis runner behaviour.

Shock probes in a one-dimensional Katz-Lebowitz-Spohn model

NASA Astrophysics Data System (ADS)

Chatterjee, Sakuntala; Barma, Mustansir

2008-06-01

We consider shock probes in a one-dimensional driven diffusive medium with nearest-neighbor Ising interaction (KLS model). Earlier studies based on an approximate mapping of the present system to an effective zero-range process concluded that the exponents characterizing the decays of several static and dynamical correlation functions of the probes depend continuously on the strength of the Ising interaction. On the contrary, our numerical simulations indicate that over a substantial range of the interaction strength, these exponents remain constant and their values are the same as in the case of no interaction (when the medium executes an ASEP). We demonstrate this by numerical studies of several dynamical correlation functions for two probes and also for a macroscopic number of probes. Our results are consistent with the expectation that the short-ranged correlations induced by the Ising interaction should not affect the large time and large distance properties of the system, implying that scaling forms remain the same as in the medium with no interactions present.

HYDRODYNAMICAL INTERACTION OF MILDLY RELATIVISTIC EJECTA WITH AN AMBIENT MEDIUM

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

Suzuki, Akihiro; Maeda, Keiichi; Shigeyama, Toshikazu

2017-01-01

The hydrodynamical interaction of spherical ejecta freely expanding at mildly relativistic speeds into an ambient cold medium is studied in semianalytical and numerical ways to investigate how ejecta produced in energetic stellar explosions dissipate their kinetic energy through the interaction with the surrounding medium. We especially focus on the case in which the circumstellar medium (CSM) is well represented by a steady wind at a constant mass-loss rate, having been ejected from the stellar surface prior to the explosion. As a result of the hydrodynamical interaction, the ejecta and CSM are swept by the reverse and forward shocks, leading tomore » the formation of a geometrically thin shell. We present a semianalytical model describing the dynamical evolution of the shell and compare the results with numerical simulations. The shell can give rise to bright emission as it gradually becomes transparent to photons. We develop an emission model for the expected emission from the optically thick shell, in which photons in the shell gradually diffuse out to the interstellar space. Then we investigate the possibility that radiation powered by the hydrodynamical interaction is the origin of an underluminous class of gamma-ray bursts.« less

Permeability of three-dimensional rock masses containing geomechanically-grown anisotropic fracture networks

NASA Astrophysics Data System (ADS)

Thomas, R. N.; Ebigbo, A.; Paluszny, A.; Zimmerman, R. W.

2016-12-01

The macroscopic permeability of 3D anisotropic geomechanically-generated fractured rock masses is investigated. The explicitly computed permeabilities are compared to the predictions of classical inclusion-based effective medium theories, and to the permeability of networks of randomly oriented and stochastically generated fractures. Stochastically generated fracture networks lack features that arise from fracture interaction, such as non-planarity, and termination of fractures upon intersection. Recent discrete fracture network studies include heuristic rules that introduce these features to some extent. In this work, fractures grow and extend under tension from a finite set of initial flaws. The finite element method is used to compute displacements, and modal stress intensity factors are computed around each fracture tip using the interaction integral accumulated over a set of virtual discs. Fracture apertures emerge as a result of simulations that honour the constraints of stress equilibrium and mass conservation. The macroscopic permeabilities are explicitly calculated by solving the local cubic law in the fractures, on an element-by-element basis, coupled to Darcy's law in the matrix. The permeabilities are then compared to the estimates given by the symmetric and asymmetric versions of the self-consistent approximation, which, for randomly fractured volumes, were previously demonstrated to be most accurate of the inclusion-based effective medium methods (Ebigbo et al., Transport in Porous Media, 2016). The permeabilities of several dozen geomechanical networks are computed as a function of density and in situ stresses. For anisotropic networks, we find that the asymmetric and symmetric self-consistent methods overestimate the effective permeability in the direction of the dominant fracture set. Effective permeabilities that are more strongly dependent on the connectivity of two or more fracture sets are more accurately captured by the effective medium models.

Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.

PubMed

Chao, Shih-Wei; Li, Arvin Huang-Te; Chao, Sheng D

2009-09-01

Intermolecular interaction energy data for the methane dimer have been calculated at a spectroscopic accuracy and employed to construct an ab initio potential energy surface (PES) for molecular dynamics (MD) simulations of fluid methane properties. The full potential curves of the methane dimer at 12 symmetric conformations were calculated by the supermolecule counterpoise-corrected second-order Møller-Plesset (MP2) perturbation theory. Single-point coupled cluster with single and double and perturbative triple excitations [CCSD(T)] calculations were also carried out to calibrate the MP2 potentials. We employed Pople's medium size basis sets [up to 6-311++G(3df, 3pd)] and Dunning's correlation consistent basis sets (cc-pVXZ and aug-cc-pVXZ, X = D, T, Q). For each conformer, the intermolecular carbon-carbon separation was sampled in a step 0.1 A for a range of 3-9 A, resulting in a total of 732 configuration points calculated. The MP2 binding curves display significant anisotropy with respect to the relative orientations of the dimer. The potential curves at the complete basis set (CBS) limit were estimated using well-established analytical extrapolation schemes. A 4-site potential model with sites located at the hydrogen atoms was used to fit the ab initio potential data. This model stems from a hydrogen-hydrogen repulsion mechanism to explain the stability of the dimer structure. MD simulations using the ab initio PES show quantitative agreements on both the atom-wise radial distribution functions and the self-diffusion coefficients over a wide range of experimental conditions. Copyright 2008 Wiley Periodicals, Inc.

DESPOTIC - a new software library to Derive the Energetics and SPectra of Optically Thick Interstellar Clouds

NASA Astrophysics Data System (ADS)

Krumholz, Mark R.

2014-01-01

I describe DESPOTIC, a code to Derive the Energetics and SPectra of Optically Thick Interstellar Clouds. DESPOTIC represents such clouds using a one-zone model, and can calculate line luminosities, line cooling rates, and in restricted cases line profiles using an escape probability formalism. It also includes approximate treatments of the dominant heating, cooling and chemical processes for the cold interstellar medium, including cosmic ray and X-ray heating, grain photoelectric heating, heating of the dust by infrared and ultraviolet radiation, thermal cooling of the dust, collisional energy exchange between dust and gas, and a simple network for carbon chemistry. Based on these heating, cooling and chemical rates, DESPOTIC can calculate clouds' equilibrium gas and dust temperatures, equilibrium carbon chemical state and time-dependent thermal and chemical evolution. The software is intended to allow rapid and interactive calculation of clouds' characteristic temperatures, identification of their dominant heating and cooling mechanisms and prediction of their observable spectra across a wide range of interstellar environments. DESPOTIC is implemented as a PYTHON package, and is released under the GNU General Public License.

Two-dimensional simulation of holographic data storage medium for multiplexed recording.

PubMed

Toishi, Mitsuru; Takeda, Takahiro; Tanaka, Kenji; Tanaka, Tomiji; Fukumoto, Atsushi; Watanabe, Kenjiro

2008-02-18

In this paper, we propose a new analysis model for photopolymer recording processes that calculate the two-dimensional refractive index distribution of multiplexed holograms. For the simulation of the photopolymer medium, time evolution of monomer diffusion and polymerization need to be calculated simultaneously. The distribution of the refractive index inside the medium is induced by these processes. By evaluating the refractive index pattern on each layer, the diffraction beams from the multiplexed hologram can be read out by beam propagation method (BPM). This is the first paper to determine the diffraction beam from a multiplexed hologram in a simulated photopolymer medium process. We analyze the time response of the multiplexed hologram recording processes in the photopolymer, and estimate the degradation of diffraction efficiency with multiplexed recording. This work can greatly contribute to understanding the process of hologram recording.

A method for calculating proton-nucleus elastic cross-sections

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, J. W.; Cucinotta, F. A.

2002-01-01

Recently [Nucl. Instr. and Meth. B 145 (1998) 277; Extraction of in-medium nucleon-nucleon amplitude from experiment, NASA-TP, 1998], we developed a method of extracting nucleon-nucleon (N-N) cross-sections in the medium directly from experiment. The in-medium N-N cross-sections form the basic ingredients of several heavy-ion scattering approaches including the coupled-channel approach developed at the NASA Langley Research Center. We investigated [Proton-nucleus total cross-sections in coupled-channel approach, NASA/TP, 2000; Nucl. Instr. and Meth. B 173-174 (2001) 391] the ratio of real to imaginary part of the two body scattering amplitude in the medium. These ratios are used in combination with the in-medium N-N cross-sections to calculate proton-nucleus elastic cross-sections. The agreement is excellent with the available experimental data. These cross-sections are needed for the radiation risk assessment of space missions. c2002 Elsevier Science B.V. All rights reserved.

Character Journaling through Social Networks: Exemplifying Tenets of the New Literacy Studies

ERIC Educational Resources Information Center

White, John Wesley; Hungerford-Kresser, Holly

2014-01-01

Countering reactionary attempts to ban social media from schools is a strong research based rationale for bringing social media into the literacy classroom. When used as a medium to explore literature--or more specifically for interactive character journaling--this medium exemplifies how meaning is created by individuals' interactions with…

Density functional theory study of nitrogen atoms and molecules interacting with Fe(1 1 1) surfaces

NASA Astrophysics Data System (ADS)

Nosir, M. A.; Martin-Gondre, L.; Bocan, G. A.; Díez Muiño, R.

2016-09-01

We present Density functional theory (DFT) calculations for the investigation of the structural relaxation of Fe(1 1 1), as well as for the study of the interaction of nitrogen atoms and molecules with this surface. We perform spin polarized DFT calculations using VASP (Vienna Ab-initio Simulation Package) code. We use the supercell approach and up to 19 slab layers for the relaxation of the Fe(1 1 1) surface. We find a contraction of the first two interlayer distances with a relative value of Δ12 = - 7.8 % and Δ23 = - 21.7 % with respect to the bulk reference. The third interlayer distance is however expanded with a relative change of Δ34 = 9.7 % . Early experimental studies of the surface relaxation using Low Energy Electron Diffraction (LEED) and Medium Energy Ion Scattering (MEIS) showed contradictory results, even on the relaxation general trend. Our current theoretical results support the LEED conclusions and are consistent qualitatively with other recent theoretical calculations. In addition, we study the interaction energy of nitrogen atoms and molecules on the Fe(1 1 1) surface. The nitrogen atoms are adsorbed in the hollow site of the unit cell, with an adsorption energy consistent with the one found in previous studies. In addition, we find the three molecularly adsorbed states that are observed experimentally. Two of them correspond to the adsorbed molecule oriented normal to the surface and a third one corresponds to the molecule adsorbed parallel to the surface. We conclude that our results are accurate enough to be used to build a full six-dimensional potential energy surface for the N2 system.

Photoinduced electron transfer interaction of anthraquinones with aniline quenchers: Influence of methyl substitution in aniline donors.

PubMed

Sivakumar, V; Ponnamma, Deepalekshmi; Hussein, Yasser H A

2017-02-15

Photoinduced electron transfer between triplet state of 9,10-anthraquinone (AQ) and its two derivatives: 2-chloro-9,10-anthraquinone (CAQ) and sodium anthraquinone-2-sulfonate (AQS) and ground state aniline (AN) and its dimethyl substitutions: 2,3-dimethylaniline (2,3-DMA), 2,6-dimethylaniline (2,6-DMA), 3,5-dimethylaniline (3,5-DMA) and N,N-dimethylaniline (N,N-DMA) is studied using nanosecond laser flash photolysis at room temperature. Detection of radical bands of quinone anions and aniline cations along with their formation and/or decay kinetics are used to confirm the electron transfer (ET) process. In MeCN medium, AN quenches the triplet state of CAQ (CAQ T ) but not the triplets AQ T or AQS T . However in aqueous medium, AN quenches AQS T and forms radical ion pair. All the DMAs can react through ET with all the triplet quinones at different degrees of efficiency in MeCN medium. Noticeably, the ring substituted DMAs are less efficient in electron donation to AQ T or AQS T while the N,N-DMA shows high efficiency in donating electron to all triplet quinones in MeCN medium. Charge distribution of donor molecules, in MeCN medium is calculated using density functional theory (DFT), and shows an enhancement of electron density of the ring of N,N-DMA, making it an ideal electron donor for ET studies compared to other DMAs. This systematic selection and usage of anilines with electrochemically tunable quinones can be viewed as a working model of donor-acceptor system that can be utilized in photoinduced ET applications. Copyright © 2016 Elsevier B.V. All rights reserved.

Microwave dielectric relaxation spectroscopy study of propylene glycol/ethanol binary mixtures: Temperature dependence

NASA Astrophysics Data System (ADS)

Vishwam, T.; Shihab, Suriya; Murthy, V. R. K.; Tiong, Ha Sie; Sreehari Sastry, S.

2017-05-01

Complex dielectric permittivity measurements of propylene glycol (PG) in ethanol at various mole fractions were measured by using open-ended coaxial probe technique at different temperatures in the frequency range 0.02 < ν/GHz < 20. The dipole moment (μ), excess dipole moment (Δμ),excess permittivity (εE), excess inverse relaxation time(1/τ)E, Bruggeman parameter (fB), excess Helmholtz energy (ΔFE) are determined using experimental data. From the minimum energy based geometry optimization, dipole moments of individual monomers of propylene glycol and ethanol and their binary system have been evaluated theoretically at gaseous state as well as alcoholic medium by using PCM and IEFPCM solvation models from the Hatree-Fock (HF) and Density Functional Theory (DFT-B3LYP) methods with 6-311G* and 6-311G** basis sets. The obtained results have been interpreted in terms of the short and long range ordering of the dipoles, Kirkwood correlation factor (geff), thermodynamic parameters, mean molecular polarizability (αM) and interaction in the mixture through hydrogen bonding. Dielectric relaxation study of propylene glycol in ethanol medium Determination of excess dielectric and thermodynamic parameters Comparison of experimental dipole moment with theoretical calculations Interpretation of the molecular interactions in the liquid through H-bonding Correlation between the evaluated dielectric parameters and theoretical results

A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure

NASA Astrophysics Data System (ADS)

Zaboli, Maryam; Raissi, Heidar

2018-01-01

In the current study, the probability of complex formation between mercaptopurine drug with cucurbit[6]urils and cucurbit[7]urils has been investigated. The calculations for geometry optimization of complexes have been carried out by means of DFT (B3LYP), DFT-D (B3LYP-D) and M06-2X methods. The Atoms In Molecules (AIM), Natural Bond Orbital (NBO), NMR, the density of states (DOSs) and frontier molecular orbital (MO) analyses have been done on the inclusion complexes. In addition, the UV-Vis spectra of the first eight states have been obtained by CAM-B3LYP/TD-DFT calculation. The obtained results of the complexation process reveal that CB[7]-DRG complexes are more favorable than that of CB[6]-DRG interactions. Furthermore, our theoretical results show that configurations III and I are the most stable configurations related to the CB[6]/DRG and CB[7]/DRG interactions, respectively. The positive ∇2ρ(r) and HC values at the bond critical points indicate that exist the weak H-bonds between CB[6] and CB[7] with H atoms of the drug molecule. The obtained negative binding energy values of CB[7]-DRG interaction in solution phase show the stability of these complexes in the aqueous medium. Also, all of the observed parameters of molecular dynamics simulation such as the number of contacts, hydrogen bonding, center-of-mass distance and van der Waals energy values confirm the encapsulation of mercaptopurine molecule inside the cucurbit[7]urils cavity at about 3.2 ns.

The Limiting Velocity in Falling from a Great Height

NASA Technical Reports Server (NTRS)

Wilson, Edwin Bidwell

1919-01-01

The purpose of this report is to give a simple treatment of the problem of calculating the final or limiting velocity of an object falling in vertical motion under gravity in a resisting medium. The equations of motion are easily set up and integrated when the density of the medium is constant and the resistance varies as the square of the velocity. The results show that the fundamental characteristics of the vertical motion under gravity in a resisting medium is the approach to a terminal or limiting velocity, whether the initial downward velocity is less or greater than the limiting velocity. This method can be used to calculate the terminal velocity of a bomb trajectory.

A two-dimensional solution of the FW-H equation for rectilinear motion of sources

NASA Astrophysics Data System (ADS)

Bozorgi, Alireza; Siozos-Rousoulis, Leonidas; Nourbakhsh, Seyyed Ahmad; Ghorbaniasl, Ghader

2017-02-01

In this paper, a subsonic solution of the two-dimensional Ffowcs Williams and Hawkings (FW-H) equation is presented for calculation of noise generated by sources moving with constant velocity in a medium at rest or in a moving medium. The solution is represented in the frequency domain and is valid for observers located far from the noise sources. In order to verify the validity of the derived formula, three test cases are considered, namely a monopole, a dipole, and a quadrupole source in a medium at rest or in motion. The calculated results well coincide with the analytical solutions, validating the applicability of the formula to rectilinear subsonic motion problems.

Optimal electromagnetic energy transmission and real-time dissipation in extended media.

PubMed

Glasgow, S; Ware, M

2014-02-24

Pulse reshaping effects that give rise to fast and slow light phenomena are inextricably linked to the dynamics of energy exchange between the pulse and the propagation medium. Energy that is dissipated from the pulse can no longer participate in this exchange process, but previous methods of calculating real-time dissipation are not valid for extended propagation media. We present a method for calculating real-time dissipation that is valid for electromagnetic pulse propagation in extended media. This method allows one to divide the energy stored in an extended medium into the portion that can be later transmitted out of the medium, and that portion which must be lost to either dissipation or reflection.

Introductory lectures on jet quenching in heavy ion collisions

DOE PAGES

Casalderrey-Solana, J.; Salgado, C. A.

2007-12-01

Jet quenching has become an essential signal for the characterization of the medium formed in experiments of heavy-ion collisions. After a brief introduction to the field, we present the full derivation of the medium-induced gluon radiation spectrum, starting from the diagrammatical origin of the Wilson lines and the medium averages and including all intermediate steps. The application of this spectrum to actual phenomenological calculations is then presented, making comparisons with experimental data and indicating some improvements of the formalism to the future LHC program. The last part of the lectures reviews calculations based on the AdS/CFT correspondence on the mediummore » parameters controlling the jet quenching phenomenon.« less

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

Prodan, V.D.

The working load on the fastening parts of a permanent tight joint, which determines the strength, and on the gasket, which determines the hermeticity of the joint, depends on the stress of preliminary tightening. This stress must be determined when calculating the force distribution of the joint, since it depends on the magnitude of the stress whether the joint is capable of withstanding the internal pressure of the medium in the vessel without disturbing the tightness of the joint and strength of its parts. The seal will be hermetic when the specific load on the sealing surfaces of the lenticularmore » gasket becomes equal to or higher than the specific load established for given conditions of pressure and properties of the sealing medium. The recommended specific load was calculated for nitrogen as the working medium. The required tightening stress was calculated for standard flange joints with a lenticular gasket of nominal diameter 25-200mm at a working pressure of 32 MPa. The equations given can also be used to calculate the stress of preliminary tightening of the fastening parts and of other types of permanent tight joints with partial radial self-sealing.« less

Computational model for fuel component supply into a combustion chamber of LRE

NASA Astrophysics Data System (ADS)

Teterev, A. V.; Mandrik, P. A.; Rudak, L. V.; Misyuchenko, N. I.

2017-12-01

A 2D-3D computational model for calculating a flow inside jet injectors that feed fuel components to a combustion chamber of a liquid rocket engine is described. The model is based on the gasdynamic calculation of compressible medium. Model software provides calculation of both one- and two-component injectors. Flow simulation in two-component injectors is realized using the scheme of separate supply of “gas-gas” or “gas-liquid” fuel components. An algorithm for converting a continuous liquid medium into a “cloud” of drops is described. Application areas of the developed model and the results of 2D simulation of injectors to obtain correction factors in the calculation formulas for fuel supply are discussed.

An Essay on Interactive Investigations of the Zeeman Effect in the Interstellar Medium

ERIC Educational Resources Information Center

Woolsey, Lauren

2015-01-01

The paper presents an interactive module created through the Wolfram Demonstrations Project that visualizes the Zeeman effect for the small magnetic field strengths present in the interstellar medium. The paper provides an overview of spectral lines and a few examples of strong and weak Zeeman splitting before discussing the module in depth.…

Structural and computational analysis of intermolecular interactions in a new 2-thiouracil polymorph.

PubMed

Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Sanković, Krešimir

2017-12-01

The crystallization and characterization of a new polymorph of 2-thiouracil by single-crystal X-ray diffraction, Hirshfeld surface analysis and periodic density functional theory (DFT) calculations are described. The previously published polymorph (A) crystallizes in the triclinic space group P\\overline{1}, while that described herein (B) crystallizes in the monoclinic space group P2 1 /c. Periodic DFT calculations showed that the energies of polymorphs A and B, compared to the gas-phase geometry, were -108.8 and -29.4 kJ mol -1 , respectively. The two polymorphs have different intermolecular contacts that were analyzed and are discussed in detail. Significant differences in the molecular structure were found only in the bond lengths and angles involving heteroatoms that are involved in hydrogen bonds. Decomposition of the Hirshfeld fingerprint plots revealed that O...H and S...H contacts cover over 50% of the noncovalent contacts in both of the polymorphs; however, they are quite different in strength. Hydrogen bonds of the N-H...O and N-H...S types were found in polymorph A, whereas in polymorph B, only those of the N-H...O type are present, resulting in a different packing in the unit cell. QTAIM (quantum theory of atoms in molecules) computational analysis showed that the interaction energies for these weak-to-medium strength hydrogen bonds with a noncovalent or mixed interaction character were estimated to fall within the ranges 5.4-10.2 and 4.9-9.2 kJ mol -1 for polymorphs A and B, respectively. Also, the NCI (noncovalent interaction) plots revealed weak stacking interactions. The interaction energies for these interactions were in the ranges 3.5-4.1 and 3.1-5.5 kJ mol -1 for polymorphs A and B, respectively, as shown by QTAIM analysis.

Investigation of charge-transfer hydrogen bonding interaction of 1-(2-pyridylazo)-2-naphthol (PAN) and 4-(2-Pyridylazo)resorcinol (PAR) with chloranilic acid through experimental and DFT studies

NASA Astrophysics Data System (ADS)

Karmakar, Animesh; Singh, Bula

2018-07-01

The H-bonding interaction of 1-(2-pyridylazo)-2-naphthol (PAN) and 4-(2-Pyridylazo) resorcinol (PAR) with chloranilic acid (CLA) have been considered spectroscopically in methanol solvent. PAN and PAR were used as a ligand and this two ligands has diverse application in spectrophotometric, chelatometric analysis of different metal ions. However, it is seen as of the literature analysis that no molecular complex of PAN and PAR with CLA was reported. The creation of charge-transfer H-bonded adduct gives a outlook to progress the physico-chemical scenery of the donor. So the complex of PAN and PAR with chloranilic acid was recounted in this work in methanol medium. Both the hydrogen-bonded molecular complexes have been prepared and identified using 1H NMR, FT-IR, and elemental analysis. Spectroscopic data point out that PAN and PAR discretely interact with CLA by a physically potent H-bonding interaction. The thermal constancy of the above molecular complexes has been determined by TGA-DTA analysis. The computational calculation also supported the development of the H-bonded charge-transfer adduct.

Empirical p-n interactions, the synchronized filling of Nilsson orbitals, and emergent collectivity

NASA Astrophysics Data System (ADS)

Cakirli, R. B.

2014-09-01

The onset of collectivity and deformation, changes to the single particle energies and magic numbers and so on are strongly influenced by, for example, proton (p) and neutron (n) interactions inside atomic nuclei. Experimentally, using binding energies (or masses), one can extract an average p-n interaction between the last two protons and the last two neutrons, called δVpn. We have studied δVpn values using calculations of spatial overlaps between p and n Nilsson orbitals, considering different deformations, for the Z= 50-82, N= 82-126 shells, and comparison of these theoretical results with experimental δVpn values. Our results show that enhanced valence p-n interactions are closely correlated with the development of collectivity, shape changes, and the saturation of deformation in nuclei. We note that the difference of the Nilsson quantum numbers of the last filled Nilsson p and n orbitals, has a special relation, 0[110], in which they differ by only a single quantum in the z-direction, for those nuclei where δVpn is largest for each Z in medium mass and heavy nuclei. The synchronised filling of such orbital pairs correlates with the emergence of collectivity.

Interactions of coffee and bread crust melanoidins with hydroxycinnamic and hydroxybenzoic acids in aqueous radical environment.

PubMed

Çelik, Ecem Evrim; Rubio, Jose Manuel Amigo; Andersen, Mogens Larsen; Gökmen, Vural

2018-06-01

The interactions of coffee and bread crust melanoidins with hydroxycinnamic and hydroxybenzoic acids (HCA/HBA) containing different numbers of -OH and -OCH₃ groups localized at different positions on the aromatic ring were investigated. By doing so, mechanism of the interactions was intended to be explained with a structural approach. Experimental studies were carried out in DPPH radical medium. Chemometric methods were used for experimental design and multivariate data analysis. Area under the curve (AUC) values calculated from the plots of time versus inhibition (%) for coffee and bread crust melanoidins and HCA/HBA derivatives were ranged between 6532 ± 97-19,106 ± 85, 3997 ± 102-7565 ± 159 and - 1678 ± 81-22,486 ± 119, respectively. Synergistic interactions were revealed for both coffee and bread crust melanoidins and HCA/HBA derivatives. The significance of the concentrations of coffee and bread crust melanoidins on radical scavenging activity was clearly centered from the scores plots obtained via Principal component analysis (PCA). Phases of radical scavenging reactions were also revealed from the loadings plots. Copyright © 2018 Elsevier Ltd. All rights reserved.

Self-propulsion and interactions of catalytic particles in a chemically active medium.

PubMed

Banigan, Edward J; Marko, John F

2016-01-01

Enzymatic "machines," such as catalytic rods or colloids, can self-propel and interact by generating gradients of their substrates. We theoretically investigate the behaviors of such machines in a chemically active environment where their catalytic substrates are continuously synthesized and destroyed, as occurs in living cells. We show how the kinetic properties of the medium modulate self-propulsion and pairwise interactions between machines, with the latter controlled by a tunable characteristic interaction range analogous to the Debye screening length in an electrolytic solution. Finally, we discuss the effective force arising between interacting machines and possible biological applications, such as partitioning of bacterial plasmids.

Experimental Proof for the Role of Nonlinear Photoionization in Plasmonic Phototherapy.

PubMed

Minai, Limor; Zeidan, Adel; Yeheskely-Hayon, Daniella; Yudovich, Shimon; Kviatkovsky, Inna; Yelin, Dvir

2016-07-13

Targeting individual cells within a heterogeneous tissue is a key challenge in cancer therapy, encouraging new approaches for cancer treatment that complement the shortcomings of conventional therapies. The highly localized interactions triggered by focused laser beams promise great potential for targeting single cells or small cell clusters; however, most laser-tissue interactions often involve macroscopic processes that may harm healthy nearby tissue and reduce specificity. Specific targeting of living cells using femtosecond pulses and nanoparticles has been demonstrated promising for various potential therapeutic applications including drug delivery via optoporation, drug release, and selective cell death. Here, using an intense resonant femtosecond pulse and cell-specific gold nanorods, we show that at certain irradiation parameters cell death is triggered by nonlinear plasmonic photoionization and not by thermally driven processes. The experimental results are supported by a physical model for the pulse-particle-medium interactions. A good correlation is found between the calculated total number and energy of the generated free electrons and the observed cell death, suggesting that femtosecond photoionization plays the dominant role in cell death.

Mathematical investigation of tsunami-like long waves interaction with submerge dike of different thickness

NASA Astrophysics Data System (ADS)

Zhiltsov, Konstantin; Kostyushin, Kirill; Kagenov, Anuar; Tyryshkin, Ilya

2017-11-01

This paper presents a mathematical investigation of the interaction of a long tsunami-type wave with a submerge dike. The calculations were performed by using the freeware package OpenFOAM. Unsteady two-dimensional Navier-Stokes equations were used for mathematical modeling of incompressible two-phase medium. The Volume of Fluid (VOF) method is used to capture the free surface of a liquid. The effects caused by long wave of defined amplitude motion through a submerged dike of varying thickness were discussed in detail. Numerical results show that after wave passing through the barrier, multiple vortex structures were formed behind. Intensity of vortex depended on the size of the barrier. The effectiveness of the submerge barrier was estimated by evaluating the wave reflection and transmission coefficients using the energy integral method. Then, the curves of the dependences of the reflection and transmission coefficients were obtained for the interaction of waves with the dike. Finally, it was confirmed that the energy of the wave could be reduced by more than 50% when it passed through the barrier.

Remote Numerical Simulations of the Interaction of High Velocity Clouds with Random Magnetic Fields

NASA Astrophysics Data System (ADS)

Santillan, Alfredo; Hernandez--Cervantes, Liliana; Gonzalez--Ponce, Alejandro; Kim, Jongsoo

The numerical simulations associated with the interaction of High Velocity Clouds (HVC) with the Magnetized Galactic Interstellar Medium (ISM) are a powerful tool to describe the evolution of the interaction of these objects in our Galaxy. In this work we present a new project referred to as Theoretical Virtual i Observatories. It is oriented toward to perform numerical simulations in real time through a Web page. This is a powerful astrophysical computational tool that consists of an intuitive graphical user interface (GUI) and a database produced by numerical calculations. In this Website the user can make use of the existing numerical simulations from the database or run a new simulation introducing initial conditions such as temperatures, densities, velocities, and magnetic field intensities for both the ISM and HVC. The prototype is programmed using Linux, Apache, MySQL, and PHP (LAMP), based on the open source philosophy. All simulations were performed with the MHD code ZEUS-3D, which solves the ideal MHD equations by finite differences on a fixed Eulerian mesh. Finally, we present typical results that can be obtained with this tool.

Extracting nuclear sizes of medium to heavy nuclei from total reaction cross sections

NASA Astrophysics Data System (ADS)

Horiuchi, W.; Hatakeyama, S.; Ebata, S.; Suzuki, Y.

2016-04-01

Background: Proton and neutron radii are fundamental quantities of atomic nuclei. To study the sizes of short-lived unstable nuclei, there is a need for an alternative to electron scattering. Purpose: The recent paper by Horiuchi et al. [Phys. Rev. C 89, 011601(R) (2014)], 10.1103/PhysRevC.89.011601 proposed a possible way of extracting the matter and neutron-skin thickness of light- to medium-mass nuclei using total reaction cross section, σR. The analysis is extended to medium to heavy nuclei up to lead isotopes with due attention to Coulomb breakup contributions as well as density distributions improved by paring correlation. Methods: We formulate a quantitative calculation of σR based on the Glauber model including the Coulomb breakup. To substantiate the treatment of the Coulomb breakup, we also evaluate the Coulomb breakup cross section due to the electric dipole field in a canonical-basis-time-dependent-Hartree-Fock-Bogoliubov theory in the three-dimensional coordinate space. Results: We analyze σR's of 103 nuclei with Z =20 , 28, 40, 50, 70, and 82 incident on light targets, H,21, 4He, and 12C. Three kinds of Skyrme interactions are tested to generate those wave functions. To discuss possible uncertainty due to the Coulomb breakup, we examine its dependence on the target, the incident energy, and the Skyrme interaction. The proton is a most promising target for extracting the nuclear sizes as the Coulomb excitation can safely be neglected. We find that the so-called reaction radius, aR=√{σR/π } , for the proton target is very well approximated by a linear function of two variables, the matter radius and the skin thickness, in which three constants depend only on the incident energy. We quantify the accuracy of σR measurements needed to extract the nuclear sizes. Conclusions: The proton is the best target because, once the incident energy is set, its aR is very accurately determined by only the matter radius and neutron-skin thickness. If σR's at different incident energies are measured, one can determine both the proton and neutron radii for unstable nuclei as well. The total reaction cross sections calculated in this paper are given as Supplemental Material for the sake of future measurements.

Inclusive production of small radius jets in heavy-ion collisions

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

Kang, Zhong-Bo; Ringer, Felix; Vitev, Ivan

Here, we develop a new formalism to describe the inclusive production of small radius jets in heavy-ion collisions, which is consistent with jet calculations in the simpler proton–proton system. Only at next-to-leading order (NLO) and beyond, the jet radius parameter R and the jet algorithm dependence of the jet cross section can be studied and a meaningful comparison to experimental measurements is possible. We are able to consistently achieve NLO accuracy by making use of the recently developed semi-inclusive jet functions within Soft Collinear Effective Theory (SCET). Additionally, single logarithms of the jet size parameter αmore » $$n\\atop{s}$$ln nR leading logarithmic (NLL R) accuracy in proton–proton collisions. The medium modified semi-inclusive jet functions are obtained within the framework of SCET with Glauber gluons that describe the interaction of jets with the medium. We also present numerical results for the suppression of inclusive jet cross sections in heavy ion collisions at the LHC and the formalism developed here can be extended directly to corresponding jet substructure observables.« less

Carbon-tuned bonding method significantly enhanced the hydrogen storage of BN-Li complexes.

PubMed

Deng, Qing-ming; Zhao, Lina; Luo, You-hua; Zhang, Meng; Zhao, Li-xia; Zhao, Yuliang

2011-11-01

Through first-principles calculations, we found doping carbon atoms onto BN monolayers (BNC) could significantly strengthen the Li bond on this material. Unlike the weak bond strength between Li atoms and the pristine BN layer, it is observed that Li atoms are strongly hybridized and donate their electrons to the doped substrate, which is responsible for the enhanced binding energy. Li adsorbed on the BNC layer can serve as a high-capacity hydrogen storage medium, without forming clusters, which can be recycled at room temperature. Eight polarized H(2) molecules are attached to two Li atoms with an optimal binding energy of 0.16-0.28 eV/H(2), which results from the electrostatic interaction of the polarized charge of hydrogen molecules with the electric field induced by positive Li atoms. This practical carbon-tuned BN-Li complex can work as a very high-capacity hydrogen storage medium with a gravimetric density of hydrogen of 12.2 wt%, which is much higher than the gravimetric goal of 5.5 wt % hydrogen set by the U.S. Department of Energy for 2015.

Inclusive production of small radius jets in heavy-ion collisions

DOE PAGES

Kang, Zhong-Bo; Ringer, Felix; Vitev, Ivan

2017-03-31

Here, we develop a new formalism to describe the inclusive production of small radius jets in heavy-ion collisions, which is consistent with jet calculations in the simpler proton–proton system. Only at next-to-leading order (NLO) and beyond, the jet radius parameter R and the jet algorithm dependence of the jet cross section can be studied and a meaningful comparison to experimental measurements is possible. We are able to consistently achieve NLO accuracy by making use of the recently developed semi-inclusive jet functions within Soft Collinear Effective Theory (SCET). Additionally, single logarithms of the jet size parameter αmore » $$n\\atop{s}$$ln nR leading logarithmic (NLL R) accuracy in proton–proton collisions. The medium modified semi-inclusive jet functions are obtained within the framework of SCET with Glauber gluons that describe the interaction of jets with the medium. We also present numerical results for the suppression of inclusive jet cross sections in heavy ion collisions at the LHC and the formalism developed here can be extended directly to corresponding jet substructure observables.« less

Electrical percolation in the presence of attractive interactions: An effective medium lattice approach applied to microemulsion systems

NASA Astrophysics Data System (ADS)

Hattori, Y.; Ushiki, H.; Engl, W.; Courbin, L.; Panizza, P.

2005-08-01

Within the framework of an effective medium approach and a mean-field approximation, we present a simple lattice model to treat electrical percolation in the presence of attractive interactions. We show that the percolation line depends on the magnitude of interactions. In 2 dimensions, the percolation line meets the binodal line at the critical point. A good qualitative agreement is observed with experimental results on a ternary AOT-based water-in-oil microemulsion system.

Rotational Quenching Study in Isovalent H+ + CO and H+ + CS Systems

NASA Astrophysics Data System (ADS)

Kaur, Rajwant; Dhilip Kumar, T. J.

2016-06-01

Cooling and trapping of polar molecules has attracted attention at cold and ultracold temperatures. Extended study of molecular inelastic collision processes of polar interstellar species with proton finds an important astrophysical application to model interstellar medium. Present study includes computation of rate coefficient for molecular rotational quenching process in proton collision with isovalent CO and CS molecules using quantum dynamical close-coupling calculations. Full dimensional ab initio potential energy surfaces have been computed for the ground state for both the systems using internally contracted multireference configuration interaction method and basis sets. Quantum scattering calculations for rotational quenching of isovalent species are studied in the rigid-rotor approximation with CX (X=O, S) bond length fixed at an experimental equilibrium value of 2.138 and 2.900 a.u., respectively. Asymptotic potentials are computed using the dipole and quadrupole moments, and the dipole polarizability components. The resulting long-range potentials with the short-range ab initio interaction potentials have been fitted to study the anisotropy of the rigid-rotor surface using the multipolar expansion coefficients. Rotational quenching cross-section and corresponding rates from j=4 level of CX to lower j' levels have been obtained and found to obey Wigner's threshold law at ultra cold temperatures.

On Emulation of Flueric Devices in Excitable Chemical Medium

PubMed Central

Adamatzky, Andrew

2016-01-01

Flueric devices are fluidic devices without moving parts. Fluidic devices use fluid as a medium for information transfer and computation. A Belousov-Zhabotinsky (BZ) medium is a thin-layer spatially extended excitable chemical medium which exhibits travelling excitation wave-fronts. The excitation wave-fronts transfer information. Flueric devices compute via jets interaction. BZ devices compute via excitation wave-fronts interaction. In numerical model of BZ medium we show that functions of key flueric devices are implemented in the excitable chemical system: signal generator, and, xor, not and nor Boolean gates, delay elements, diodes and sensors. Flueric devices have been widely used in industry since late 1960s and are still employed in automotive and aircraft technologies. Implementation of analog of the flueric devices in the excitable chemical systems opens doors to further applications of excitation wave-based unconventional computing in soft robotics, embedded organic electronics and living technologies. PMID:27997561

On Emulation of Flueric Devices in Excitable Chemical Medium.

PubMed

Adamatzky, Andrew

2016-01-01

Flueric devices are fluidic devices without moving parts. Fluidic devices use fluid as a medium for information transfer and computation. A Belousov-Zhabotinsky (BZ) medium is a thin-layer spatially extended excitable chemical medium which exhibits travelling excitation wave-fronts. The excitation wave-fronts transfer information. Flueric devices compute via jets interaction. BZ devices compute via excitation wave-fronts interaction. In numerical model of BZ medium we show that functions of key flueric devices are implemented in the excitable chemical system: signal generator, and, xor, not and nor Boolean gates, delay elements, diodes and sensors. Flueric devices have been widely used in industry since late 1960s and are still employed in automotive and aircraft technologies. Implementation of analog of the flueric devices in the excitable chemical systems opens doors to further applications of excitation wave-based unconventional computing in soft robotics, embedded organic electronics and living technologies.

The Effect Upon Verbal Interaction Data of the Medium Employed in the Codification Process.

ERIC Educational Resources Information Center

Long, John V.

Persons quantifying classroom verbal interaction may obtain varying results as a consequence of using different media forms in their experiments. A study was done to see if the medium used in the codification process has an effect upon data obtained, and if so, what the nature of the effect is. Codification consists of the translation of observed…

The Goals and Development of an Interactive Web Module for a Teacher Education Course.

ERIC Educational Resources Information Center

Schnorr, Donna; Bracken, Nicole; Hazari, Sunil

The World Wide Web has become a promising medium for delivery of instruction. This paper describes a case study in which the Internet was used to supplement teacher education course instruction via an Interactive Web module. The goals of using such a medium for facilitating teaching and enhancing learning are described as they relate to learning…

Track structure simulations at relativistic energies: an update on cross section calculations

NASA Astrophysics Data System (ADS)

Dingfelder, Michael

Charged particle track structure simulations follow the primary, as well as all (produced) sec-ondary particles in an event-by-event matter, from starting or ejection energies down to total stopping. They provide detailed information on the spacial distributions of energy depositions, interaction types, and radical species produced. These quantities provide a starting point to describe the interaction of the radiation with matter of biological interest and to explore and estimate the effects of radiation quality on various biological responses of these systems. Of special interest is liquid water which serves as surrogate for soft tissue. Ionization and excitation cross sections for bare charged particles can be calculated within the framework of the (relativistic) plane-wave Born approximation or the (relativistic) Bethe approximation. Both theories rely on a realistic model of the dielectric response function of the material under consideration and need to address relativistic medium polarization effects like the Fermi-density effect in a consistent way. In this talk we will review and present new and updated aspects of charged particle cross section calculations for relativistic heavy ions with liquid water and other materials of biological interest. This includes an updated model for the dielectric response function of liquid water to better reflect new data from inelastic X-ray scattering (IXS) experiments using synchrotron radiation and a model for the dielectric response function of calcium, which serves as a bone surrogate. We will also discuss the implementation of relativistic effect, especially of the Fermi-density effect into the cross section calculations. This work is supported by the National Aeronautics and Space Administration (NASA), grant no. NNJ04HF39G.

Comparative study of hadron- and γ-triggered azimuthal correlations in relativistic heavy-ion collisions

DOE PAGES

Ma, Guo -Lang; Wang, Xin -Nian

2012-01-01

In the framework of a multi-phase transport model, initial fluctuations in the transverse parton density lead to all orders of harmonic flows. Hadron-triggered azimuthal correlations include all contributions from harmonic flows, hot spots, and jet-medium excitations, which are isolated by using different initial conditions. We found that different physical components dominate different pseudorapidity ranges of dihadron correlations. Because γ-triggered azimuthal correlations can only be caused by jet-medium interactions, a comparative study of hadron- and γ -triggered azimuthal correlations can reveal more dynamics about jet-medium interactions.

Enhancement of the output emission efficiency of thin-film photoluminescence composite structures based on PbSe

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

Anisimova, N. P.; Tropina, N. E., E-mail: Mazina_ne@mail.ru; Tropin, A. N.

2010-12-15

The opportunity to increase the output emission efficiency of PbSe-based photoluminescence structures by depositing an antireflection layer is analyzed. A model of a three-layer thin film where the central layer is formed of a composite medium is proposed to calculate the reflectance spectra of the system. In von Bruggeman's approximation of the effective medium theory, the effective permittivity of the composite layer is calculated. The model proposed in the study is used to calculate the thickness of the arsenic chalcogenide (AsS{sub 4}) antireflection layer. The optimal AsS{sub 4} layer thickness determined experimentally is close to the results of calculation, andmore » the corresponding gain in the output photoluminescence efficiency is as high as 60%.« less

Calculations of a wideband metamaterial absorber using equivalent medium theory

NASA Astrophysics Data System (ADS)

Huang, Xiaojun; Yang, Helin; Wang, Danqi; Yu, Shengqing; Lou, Yanchao; Guo, Ling

2016-08-01

Metamaterial absorbers (MMAs) have drawn increasing attention in many areas due to the fact that they can achieve electromagnetic (EM) waves with unity absorptivity. We demonstrate the design, simulation, experiment and calculation of a wideband MMA based on a loaded double-square-loop (DSL) array of chip resisters. For a normal incidence EM wave, the simulated results show that the absorption of the full width at half maximum is about 9.1 GHz, and the relative bandwidth is 87.1%. Experimental results are in agreement with the simulations. More importantly, equivalent medium theory (EMT) is utilized to calculate the absorptions of the DSL MMA, and the calculated absorptions based on EMT agree with the simulated and measured results. The method based on EMT provides a new way to analysis the mechanism of MMAs.

Investigation of growth features in several hydraulic fractures

NASA Astrophysics Data System (ADS)

Bykov, Alexander; Galybin, Alexander; Evdokimov, Alexander; Zavialova, Natalia; Zavialov, Ivan; Negodiaev, Sergey; Perepechkin, Ilia

2017-04-01

In this paper we simulate the growth of three or more interacting hydraulic fractures in the horizontal well with a cross flow of fluid between them. Calculation of the dynamics of cracks is performed in three dimensional space. The computation of the movement of fracturing fluid with proppant is performed in the two-dimensional space (the flow was averaged along crack aperture). For determining the hydraulic pipe resistance coefficient we used a generalization of the Reynolds number for fluids with power rheology and a generalization of the von Karman equation made by Dodge and Meiner. The calculations showed that the first crack was developing faster than the rest in homogeneous medium. During the steady loading the outer cracks pinch the inner cracks and it was shown that only the first and last fracture develop in extreme case. It is also possible to simulate the parameters at which the two developing outer cracks pinch the central one in the horizontal direction. In this case, the central crack may grow in the vertical direction.

Investigations of Few-Nucleon System Dynamics in Medium Energy Domain

NASA Astrophysics Data System (ADS)

Ciepał, I.; Kłos, B.; Kistryn, St.; Stephan, E.; Biegun, A.; Bodek, K.; Deltuva, A.; Epelbaum, E.; Eslami-Kalantari, M.; Fonseca, A. C.; Golak, J.; Jha, V.; Kalantar-Nayestanaki, N.; Kamada, H.; Khatri, G.; Kirillov, Da.; Kirillov, Di.; Kliczewski, St.; Kozela, A.; Kravcikova, M.; Machner, H.; Magiera, A.; Martinska, G.; Messchendorp, J.; Nogga, A.; Parol, W.; Ramazani-Moghaddam-Arani, A.; Roy, B. J.; Sakai, H.; Sekiguchi, K.; Sitnik, I.; Siudak, R.; Skibiński, R.; Sworst, R.; Urban, J.; Witała, H.; Wrońska, A.; Zejma, J.

2013-08-01

Precise and large set of cross sections, vector A x , A y and tensor A xx , A xy , A yy analyzing powers for the 1 H( d, pp) n breakup reactions were measured at 100 and 130 MeV deuteron beam energies with the use of the SALAD and BINA detectors at KVI and Germanium Wall setup at FZ-Jülich. Results are compared with various theoretical approaches which model the three-nucleon (3N) system dynamics. The calculations are based on different two-nucleon (2N) potentials which can be combined with models of the three-nucleon force (3NF) and other pieces of the dynamics can also be included like the Coulomb interaction and relativistic effects. The cross sections data reveal seizable 3NF and Coulomb force influence. In case of analyzing powers very low sensitivity to the effects was found and the data are well describe by 2N models only. At 130 MeV for A xy serious disagreements appear when 3NF models are included into calculations.

Band structures in near spherical 138Ce

NASA Astrophysics Data System (ADS)

Bhattacharjee, T.; Chanda, S.; Bhattacharyya, S.; Basu, S. K.; Bhowmik, R. K.; Das, J. J.; Pramanik, U. Datta; Ghugre, S. S.; Madhavan, N.; Mukherjee, A.; Mukherjee, G.; Muralithar, S.; Singh, R. P.

2009-06-01

The high spin states of N=80138Ce have been populated in the fusion evaporation reaction 130Te( 12C, 4n) 138Ce at E=65 MeV. The γ transitions belonging to various band structures were detected and characterized using an array of five Clover Germanium detectors. The level scheme has been established up to a maximum spin and excitation energy of 23 ℏ and 9511.3 keV, respectively, by including 53 new transitions. The negative parity ΔI=1 band, developed on the 6536.3 keV 15 level, has been conjectured to be a magnetic rotation band following a semiclassical analysis and comparing the systematics of similar bands in the neighboring nuclei. The said band is proposed to have a four quasiparticle configuration of [πgh]⊗[. Other band structures are interpreted in terms of multi-quasiparticle configurations, based on Total Routhian Surface (TRS) calculations. For the low and medium spin states, a shell model calculation using a realistic two body interaction has been performed using the code OXBASH.

Density functional study of the 13C NMR chemical shifts in small-to-medium-diameter infinite single-walled carbon nanotubes.

PubMed

Zurek, Eva; Pickard, Chris J; Walczak, Brian; Autschbach, Jochen

2006-11-02

NMR chemical shifts were calculated for semiconducting (n,0) single-walled carbon nanotubes (SWNTs) with n ranging from 7 to 17. Infinite isolated SWNTs were calculated using a gauge-including projector-augmented plane-wave (GIPAW) approach with periodic boundary conditions and density functional theory (DFT). In order to minimize intertube interactions in the GIPAW computations, an intertube distance of 8 A was chosen. For the infinite tubes, we found a chemical shift range of over 20 ppm for the systems considered here. The SWNT family with lambda = mod(n, 3) = 0 has much smaller chemical shifts compared to the other two families with lambda = 1 and lambda = 2. For all three families, the chemical shifts decrease roughly inversely proportional to the tube's diameter. The results were compared to calculations of finite capped SWNT fragments using a gauge-including atomic orbital (GIAO) basis. Direct comparison of the two types of calculations could be made if benzene was used as the internal (computational) reference. The NMR chemical shifts of finite SWNTs were found to converge very slowly, if at all, to the infinite limit, indicating that capping has a strong effect (at least for the (9,0) tubes) on the calculated properties. Our results suggest that (13)C NMR has the potential for becoming a useful tool in characterizing SWNT samples.

Effective Forces Between Colloidal Particles

NASA Technical Reports Server (NTRS)

Tehver, Riina; Banavar, Jayanth R.; Koplik, Joel

1999-01-01

Colloidal suspensions have proven to be excellent model systems for the study of condensed matter and its phase behavior. Many of the properties of colloidal suspensions can be investigated with a systematic variation of the characteristics of the systems and, in addition, the energy, length and time scales associated with them allow for experimental probing of otherwise inaccessible regimes. The latter property also makes colloidal systems vulnerable to external influences such as gravity. Experiments performed in micro-ravity by Chaikin and Russell have been invaluable in extracting the true behavior of the systems without an external field. Weitz and Pusey intend to use mixtures of colloidal particles with additives such as polymers to induce aggregation and form weak, tenuous, highly disordered fractal structures that would be stable in the absence of gravitational forces. When dispersed in a polarizable medium, colloidal particles can ionize, emitting counterions into the solution. The standard interaction potential in these charged colloidal suspensions was first obtained by Derjaguin, Landau, Verwey and Overbeek. The DLVO potential is obtained in the mean-field linearized Poisson-Boltzmann approximation and thus has limited applicability. For more precise calculations, we have used ab initio density functional theory. In our model, colloidal particles are charged hard spheres, the counterions are described by a continuum density field and the solvent is treated as a homogeneous medium with a specified dielectric constant. We calculate the effective forces between charged colloidal particles by integrating over the solvent and counterion degrees of freedom, taking into account the direct interactions between the particles as well as particle-counterion, counterion-counterion Coulomb, counterion entropic and correlation contributions. We obtain the effective interaction potential between charged colloidal particles in different configurations. We evaluate two- and three-body forces in the bulk as well as study the influence of soft walls. We qualitatively explain the effects of the walls on the forces and demonstrate that many-body effects are negligible in our system. With adjustments in the parameters, the DLVO pair-potential can describe the results quantitatively. Besides electrostatic interactions, entropic depletion effects that arise from (hard-core) exclusion play an important role in determining the behavior of multi-component colloidal suspensions. A standard theory for depletion forces is due to Asakura and Oosawa and is based on the ideal gas approximation. To go beyond this approximation, we have studied entropic forces in molecular dynamics simulations of systems of hard spheres (the effects of the solvent have been ignored). The effective depletion forces for these systems can be found either from equilibrium distribution functions or from direct momentum transfer calculations. Our results obtained by either method show qualitative differences from the Asakura-Oosawa forces, indicating a longer range, higher value at contact and most importantly a more complicated structure, comprising of several maxima and minima. Our calculations include the determination of effective forces between two spheres, a hard sphere and a wall, and the behavior of a hard sphere near a step-edge and a corner. We also demonstrate that such entropic forces do not necessarily satisfy pairwise additivity.

Spectroscopic and molecular docking studies on the charge transfer complex of bovine serum albumin with quinone in aqueous medium and its influence on the ligand binding property of the protein.

PubMed

Satheshkumar, Angupillai; Elango, Kuppanagounder P

2014-09-15

The spectral techniques such as UV-Vis, (1)H NMR and fluorescence and electrochemical experiments have been employed to investigate the interaction between 2-methoxy-3,5,6-trichloro-1,4-benzoquinone (MQ; a water soluble quinone) and bovine serum albumin (BSA) in aqueous medium. The fluorescence of BSA was quenched by MQ via formation of a 1:1 BSA-MQ charge transfer adduct with a formation constant of 3.3×10(8) L mol(-1). Based on the Forster's theory the binding distance between them is calculated as 2.65 nm indicating high probability of binding. For the first time, influence of quinone on the binding property of various types of ligands such as aspirin, ascorbic acid, nicotinimide and sodium stearate has also been investigated. The results indicated that the strong and spontaneous binding existing between BSA and MQ, decreased the intensity of binding of these ligands with BSA. Since Tryptophan (Trp) is the basic residue present in BSA, a comparison between binding property of Trp-MQ adduct with that of BSA-MQ with these ligands has also been attempted. 1H NMR titration study indicated that the Trp forms a charge transfer complex with MQ, which reduces the interaction of Trp with the ligands. Molecular docking study supported the fact that the quinone interacts with the Trp212 unit of the BSA and the free energy change of binding (ΔG) for the BSA-MQ complex was found to be -46 kJ mol(-1), which is comparable to our experimental free energy of binding (-49 kJ mol(-1)) obtained from fluorescence study. Copyright © 2014 Elsevier B.V. All rights reserved.

Spectroscopic and molecular docking studies on the charge transfer complex of bovine serum albumin with quinone in aqueous medium and its influence on the ligand binding property of the protein

NASA Astrophysics Data System (ADS)

Satheshkumar, Angupillai; Elango, Kuppanagounder P.

2014-09-01

The spectral techniques such as UV-Vis, 1H NMR and fluorescence and electrochemical experiments have been employed to investigate the interaction between 2-methoxy-3,5,6-trichloro-1,4-benzoquinone (MQ; a water soluble quinone) and bovine serum albumin (BSA) in aqueous medium. The fluorescence of BSA was quenched by MQ via formation of a 1:1 BSA-MQ charge transfer adduct with a formation constant of 3.3 × 108 L mol-1. Based on the Forster’s theory the binding distance between them is calculated as 2.65 nm indicating high probability of binding. For the first time, influence of quinone on the binding property of various types of ligands such as aspirin, ascorbic acid, nicotinimide and sodium stearate has also been investigated. The results indicated that the strong and spontaneous binding existing between BSA and MQ, decreased the intensity of binding of these ligands with BSA. Since Tryptophan (Trp) is the basic residue present in BSA, a comparison between binding property of Trp-MQ adduct with that of BSA-MQ with these ligands has also been attempted. 1H NMR titration study indicated that the Trp forms a charge transfer complex with MQ, which reduces the interaction of Trp with the ligands. Molecular docking study supported the fact that the quinone interacts with the Trp212 unit of the BSA and the free energy change of binding (ΔG) for the BSA-MQ complex was found to be -46 kJ mol-1, which is comparable to our experimental free energy of binding (-49 kJ mol-1) obtained from fluorescence study.

Interaction of planetary nebulae with the interstellar medium

NASA Technical Reports Server (NTRS)

Borkowski, Kazimierz J.; Sarazin, Craig L.; Soker, Noam

1990-01-01

The interaction of a moving planetary nebula (PN) with the interstellar medium is considered. The PN shell is compressed first in the direction of the stellar motion. This produces a dipole asymmetry in the surface brightness of the nebula, typically at a nebular density of about 40/cu cm if the nebula is located in the Galactic plane. In the later stages of the interaction, this part of the shell is significantly decelerated with respect to the central star, and the PN becomes strongly asymmetric in shape. This distortion and the subsequent stripping of the nebular gas away from the central star typically occurs at a low nebular density of about 6/cu cm. The morphology of PNs with central stars whose proper motions exceed 0.015 arcsec/yr was examined, and it was found that many of the extended nebulae are interacting with the interstellar medium (ISM). The sample doubles the number of known PNs interacting with the ISM. The morphology of nearby PNs was examined, and a number of strongly asymmetric nebuale were found.

Atomistic and infrared study of CO-water amorphous ice onto olivine dust grain

NASA Astrophysics Data System (ADS)

Escamilla-Roa, Elizabeth; Moreno, Fernando; López-Moreno, J. Juan; Sainz-Díaz, C. Ignacio

2017-01-01

This work is a study of CO and H2O molecules as adsorbates that interact on the surface of olivine dust grains. Olivine (forsterite) is present on the Earth, planetary dust, in the interstellar medium (ISM) and in particular in comets. The composition of amorphous ice is very important for the interpretation of processes that occur in the solar system and the ISM. Dust particles in ISM are composed of a heterogeneous mixture of amorphous or crystalline silicates (e.g. olivine) organic material, carbon, and other minor constituents. These dust grains are embedded in a matrix of ices, such as H2O, CO, CO2, NH3, and CH4. We consider that any amorphous ice will interact and grow faster on dust grain surfaces. In this work we explore the adsorption of CO-H2O amorphous ice onto several (100) forsterite surfaces (dipolar and non-dipolar), by using first principle calculations based on density functional theory (DFT). These models are applied to two possible situations: i) adsorption of CO molecules mixed into an amorphous ice matrix (gas mixture) and adsorbed directly onto the forsterite surface. This interaction has lower adsorption energy than polar molecules (H2O and NH3) adsorbed on this surface; ii) adsorption of CO when the surface has previously been covered by amorphous water ice (onion model). In this case the calculations show that adsorption energy is low, indicating that this interaction is weak and therefore the CO can be desorbed with a small increase of temperature. Vibration spectroscopy for the most stable complex was also studied and the frequencies were in good agreement with experimental frequency values.

A combined molecular dynamics simulation and quantum mechanics study on mercaptopurine interaction with the cucurbit [6,7] urils: Analysis of electronic structure.

PubMed

Zaboli, Maryam; Raissi, Heidar

2018-01-05

In the current study, the probability of complex formation between mercaptopurine drug with cucurbit[6]urils and cucurbit[7]urils has been investigated. The calculations for geometry optimization of complexes have been carried out by means of DFT (B3LYP), DFT-D (B3LYP-D) and M06-2X methods. The Atoms In Molecules (AIM), Natural Bond Orbital (NBO), NMR, the density of states (DOSs) and frontier molecular orbital (MO) analyses have been done on the inclusion complexes. In addition, the UV-Vis spectra of the first eight states have been obtained by CAM-B3LYP/TD-DFT calculation. The obtained results of the complexation process reveal that CB[7]-DRG complexes are more favorable than that of CB[6]-DRG interactions. Furthermore, our theoretical results show that configurations III and I are the most stable configurations related to the CB[6]/DRG and CB[7]/DRG interactions, respectively. The positive ∇ 2 ρ (r) and HC values at the bond critical points indicate that exist the weak H-bonds between CB[6] and CB[7] with H atoms of the drug molecule. The obtained negative binding energy values of CB[7]-DRG interaction in solution phase show the stability of these complexes in the aqueous medium. Also, all of the observed parameters of molecular dynamics simulation such as the number of contacts, hydrogen bonding, center-of-mass distance and van der Waals energy values confirm the encapsulation of mercaptopurine molecule inside the cucurbit[7]urils cavity at about 3.2ns. Copyright © 2017 Elsevier B.V. All rights reserved.

Wavelength-resonant surface-emitting semiconductor laser

DOEpatents

Brueck, Steven R. J.; Schaus, Christian F.; Osinski, Marek A.; McInerney, John G.; Raja, M. Yasin A.; Brennan, Thomas M.; Hammons, Burrell E.

1989-01-01

A wavelength resonant semiconductor gain medium is disclosed. The essential feature of this medium is a multiplicity of quantum-well gain regions separated by semiconductor spacer regions of higher bandgap. Each period of this medium consisting of one quantum-well region and the adjacent spacer region is chosen such that the total width is equal to an integral multiple of 1/2 the wavelength in the medium of the radiation with which the medium is interacting. Optical, electron-beam and electrical injection pumping of the medium is disclosed. This medium may be used as a laser medium for single devices or arrays either with or without reflectors, which may be either semiconductor or external.

Thermodynamical and excess thermoacoustical study on some monosaccharide (glucose) with enzyme amylase in aqueous media at 298.15 K

NASA Astrophysics Data System (ADS)

Nithiyanantham, S.; Palaniappan, L.

2011-03-01

Ultrasonic velocity (U), density (ρ) and viscosity (η) measurements have been carried out in three ternary mixtures of glucose with amylase in aqueous medium at 298.15 K. The experimental data have been used to calculate some derived parameters such as acoustical impedance (Z), relative association (RA), Rao's constant (R), Wada's constant (W), relaxation time (τ), relaxation amplitude (α/f2), relaxation strength (r), and some excess thermodynamical properties like excess adiabatic compressibility (βE), excess free length (LfE) excess free volume (VfE), excess internal pressure (πiE) and excess acoustical impedance (ZE). The above parameters have been evaluated and discussed in light of molecular interactions in the mixture.

Decoupling the refractive index from the electrical properties of transparent conducting oxides via periodic superlattices.

PubMed

Caffrey, David; Norton, Emma; Coileáin, Cormac Ó; Smith, Christopher M; Bulfin, Brendan; Farrell, Leo; Shvets, Igor V; Fleischer, Karsten

2016-09-13

We demonstrate an alternative approach to tuning the refractive index of materials. Current methodologies for tuning the refractive index of a material often result in undesirable changes to the structural or optoelectronic properties. By artificially layering a transparent conducting oxide with a lower refractive index material the overall film retains a desirable conductivity and mobility while acting optically as an effective medium with a modified refractive index. Calculations indicate that, with our refractive index change of 0.2, a significant reduction of reflective losses could be obtained by the utilisation of these structures in optoelectronic devices. Beyond this, periodic superlattice structures present a solution to decouple physical properties where the underlying electronic interaction is governed by different length scales.

Three-Body Forces and the Limit of Oxygen Isotopes

NASA Astrophysics Data System (ADS)

Otsuka, Takaharu; Suzuki, Toshio; Holt, Jason D.; Schwenk, Achim; Akaishi, Yoshinori

2010-07-01

The limit of neutron-rich nuclei, the neutron drip line, evolves regularly from light to medium-mass nuclei except for a striking anomaly in the oxygen isotopes. This anomaly is not reproduced in shell-model calculations derived from microscopic two-nucleon forces. Here, we present the first microscopic explanation of the oxygen anomaly based on three-nucleon forces that have been established in few-body systems. This leads to repulsive contributions to the interactions among excess neutrons that change the location of the neutron drip line from O28 to the experimentally observed O24. Since the mechanism is robust and general, our findings impact the prediction of the most neutron-rich nuclei and the synthesis of heavy elements in neutron-rich environments.

Galaxy properties and the cosmic web in simulations

NASA Astrophysics Data System (ADS)

Metuki, Ofer; Libeskind, Noam I.; Hoffman, Yehuda; Crain, Robert A.; Theuns, Tom

2015-01-01

We seek to understand the relationship between galaxy properties and their local environment, which calls for a proper formulation of the notion of environment. We analyse the Galaxies-Intergalactic Medium Interaction Calculation suite of cosmological hydrodynamical simulations within the framework of the cosmic web as formulated by Hoffman et al., focusing on properties of simulated dark matter haloes and luminous galaxies with respect to voids, sheets, filaments, and knots - the four elements of the cosmic web. We find that the mass functions of haloes depend on environment, which drives other environmental dependence of galaxy formation. The web shapes the halo mass function, and through the strong dependence of the galaxy properties on the mass of their host haloes, it also shapes the galaxy-(web) environment dependence.

Influence of Loads That Are Not Contemplated In the Structure Calculation Process

NASA Astrophysics Data System (ADS)

Gil Carrillo, Francisco; José Mas-Guindal, Antonio

2017-10-01

The approach to the calculation of the structure of a building, apart from the geometry and its peculiarities always in the first instance, the first approach is to analyze the state of loads, according to current legislation CTE, to which the building will be subjected and In their respective plants and areas, these loads are defined in any of the regulations in force at the moment in Spain and almost all the professionals of the sector known for their application. In addition to the loads described above, there are others that intervene in the building, although they are evident only during the execution phase of the building, those loads that are forgotten and not taken into account, nor even the existing mandatory regulations CTE, EHE-08, in that first approach of load state for the calculation of the structure of the building, are there and have their direct consequences on the structure, ultimately on the useful life of the structure and the interaction with The rest of the elements that make up the building can cause instantaneous pathologies, medium and long term in the structures and consequently in the rest of the building with the effects derived from them.

Fluctuations with small numbers: Developing the perturbative paradigm for jet physics in the QGP at RHIC and LHC

NASA Astrophysics Data System (ADS)

Wicks, Simon

Many novel results have emerged from the experimental heavy ion program at the Relativistic Heavy Ion Collider. For some, these necessitate a new paradigm, a jump into the extra dimension of strongly coupled physics and AdS/CFT. This thesis takes the opposite view. Asymptotic weakly coupled arguments are of course inapplicable. Purely parametric relations are not sufficient as the temperatures are not hot enough, the jet energies not high enough, the lengths not long enough. However, perturbative techniques provide a strong foundation on which to build our explanations of data from RHIC and the upcoming LHC. This thesis presents the first detailed study of both collisional and radiative energy losses, applied to both light and heavy partonic jets at RHIC and LHC. The primary motivation is the heavy quark puzzle, observed through the surprisingly strong quenching of high momentum single non-photonic electrons at RHIC. Collisional energy loss is likely a non-negligible component of the energy loss of jets. It also provides a calculation in which to examine our assumptions about jet-medium interactions. For the quantities of interest, the soft interactions o, q << T are not dominant; the rarer, moderately hard collisions are more important. This impacts the choice of one collision calculation---a simple, first term in a hard thermal loop calculation does not include the necessary medium recoil kinematics---and of the multiple collision convolution---a simple, drag-diffusion scheme is insufficient for the short lengths of interest. This also motivates an opacity expansion evaluation of the radiative energy loss. This expansion is equivalent to Schrodinger-like equations used in some radiative models, and provides a suitable method of numerical solution to that equation. Presented here is a Monte Carlo numerical integration that can give results to ninth order in opacity and beyond. The results confirm that, for the lengths of interest at RHIC and LHC, the first order is most important and orders beyond third have very little impact on R AA(pT). These all provide important developments in the perturbative paradigm of jet quenching. While simultaneous explanations of both light and heavy jet results are not yet achieved, both are well within the range of these calculations. This gives strong hope that further developments in the theory and modeling will be able to fit jet results at RHIC and LHC. And then we can move into the era of quantitative jet tomography.

Interaction of gold nanoparticles with nanosecond laser pulses: Nanoparticle heating

NASA Astrophysics Data System (ADS)

Nedyalkov, N. N.; Imamova, S. E.; Atanasov, P. A.; Toshkova, R. A.; Gardeva, E. G.; Yossifova, L. S.; Alexandrov, M. T.; Obara, M.

2011-04-01

Theoretical and experimental results on the heating process of gold nanoparticles irradiated by nanosecond laser pulses are presented. The efficiency of particle heating is demonstrated by in-vitro photothermal therapy of human tumor cells. Gold nanoparticles with diameters of 40 and 100 nm are added as colloid in the cell culture and the samples are irradiated by nanosecond pulses at wavelength of 532 nm delivered by Nd:YAG laser system. The results indicate clear cytotoxic effect of application of nanoparticle as more efficient is the case of using particles with diameter of 100 nm. The theoretical analysis of the heating process of nanoparticle interacting with laser radiation is based on the Mie scattering theory, which is used for calculation of the particle absorption coefficient, and two-dimensional heat diffusion model, which describes the particle and the surrounding medium temperature evolution. Using this model the dependence of the achieved maximal temperature in the particles on the applied laser fluence and time evolution of the particle temperature is obtained.

Secondary antiproton production in relativistic plasmas

NASA Technical Reports Server (NTRS)

Dermer, C. D.; Ramaty, R.

1985-01-01

The possibility is investigated that the reported excess low energy antiproton component of the cosmic radiation results from proton-proton (p-p) interactions in relativistic plasmas. Because of both target and projectile motion in such plasmas, the antiproton production threshold in the frame of the plasma is much lower than the threshold of antiproton production in cosmic ray interactions with ambient matter. The spectrum of the resultant antiprotons therefore extends to much lower energy than in the cosmic ray case. The antiproton spectrum is calculated for relativistic thermal plasmas and the spectrum is estimated for relativistic nonthermal plasmas. As possible production sites, matter accreting onto compact objects located in the galaxy is considered. Possible overproduction of gamma rays from associated neutral pion production can be avoided if the site is optically thick to the photons but not to the antiprotons. A possible scenario involves a sufficiently large photon density that the neutral pion gamma rays are absorbed by photon-photon pair production. Escape of the antiprotons to the interstellar medium can be mediated by antineutron production.

Van der Waals interaction in uniaxial anisotropic media.

PubMed

Kornilovitch, Pavel E

2013-01-23

Van der Waals interactions between flat surfaces in uniaxial anisotropic media are investigated in the nonretarded limit. The main focus is the effect of nonzero tilt between the optical axis and the surface normal on the strength of the van der Waals attraction. General expressions for the van der Waals free energy are derived using the surface mode method and the transfer-matrix formalism. To facilitate numerical calculations a temperature-dependent three-band parameterization of the dielectric tensor of the liquid crystal 5CB is developed. A solid slab immersed in a liquid crystal experiences a van der Waals torque that aligns the surface normal relative to the optical axis of the medium. The preferred orientation is different for different materials. Two solid slabs in close proximity experience a van der Waals attraction that is strongest for homeotropic alignment of the intervening liquid crystal for all the materials studied. The results have implications for the stability of plate-like colloids in liquid crystal hosts.

A Novel Schiff Base of 3-acetyl-4-hydroxy-6-methyl-(2H)pyran-2-one and 2,2'-(ethylenedioxy)diethylamine as Potential Corrosion Inhibitor for Mild Steel in Acidic Medium

PubMed Central

Asegbeloyin, Jonnie N.; Ejikeme, Paul M.; Olasunkanmi, Lukman O.; Adekunle, Abolanle S.; Ebenso, Eno E.

2015-01-01

The corrosion inhibition activity of a newly synthesized Schiff base (SB) from 3-acetyl-4-hydroxy-6-methyl-(2H)-pyran-2-one and 2,2'-(ethylenedioxy)diethylamine was investigated on the corrosion of mild steel in 1 M HCl solution using potentiodynamic polarization and electrochemical impedance spectroscopic techniques. Ultraviolet-visible (UV-vis) and Raman spectroscopic techniques were used to study the chemical interactions between SB and mild steel surface. SB was found to be a relatively good inhibitor of mild steel corrosion in 1 M HCl. The inhibition efficiency increases with increase in concentration of SB. The inhibition activity of SB was ascribed to its adsorption onto mild steel surface, through physisorption and chemisorption, and described by the Langmuir adsorption model. Quantum chemical calculations indicated the presence of atomic sites with potential nucleophilic and electrophilic characteristics with which SB can establish electronic interactions with the charged mild steel surface.

Muon, photon and nuclear CERs for ββ - ν response studies

NASA Astrophysics Data System (ADS)

Ejiri, H.

2015-10-01

Neutrino nuclear responses for neutrino-less double beta decays (0νββ DBD) are studied by muon, photon and nuclear charge exchange reactions (CER) and β-EC transitions. These experimental responses with low and medium momentum transfers are used to evaluate 0νββ nuclear matrix elements and the solar neutrino interactions with atoms and nuclei of DBD detectors. Gamma-ray measurements from residual RI nuclei produced by (µ, νµxn) reactions on 100Mo shows a giant resonance around 12-15 MeV for µ- capture strength. Single β Gamow-Teller (GT) and spin-dipole (SD) strengths are reduced with respect to pnQRPA calculations by gAe f f≈0.5 -0.6 gA , suggesting considerable reductions of the axial vector responses for DBD. Solar neutrino nuclear interactions with nuclei of the DBD isotopes and atoms of liquid scintillators used for DBD experiments are shown to be the serious backgrounds at the ROI (region of interest) of 0νββ.

Correlation effects during liquid infiltration into hydrophobic nanoporous media

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

Borman, V. D., E-mail: vdborman@mephi.ru; Belogorlov, A. A.; Byrkin, V. A.

To explain the thermal effects observed during the infiltration of a nonwetting liquid into a disordered nanoporous medium, we have constructed a model that includes correlation effects in a disordered medium. It is based on analytical methods of the percolation theory. The infiltration of a porous medium is considered as the infiltration of pores in an infinite cluster of interconnected pores. Using the model of randomly situated spheres (RSS), we have been able to take into account the correlation effect of the spatial arrangement and connectivity of pores in the medium. The other correlation effect of the mutual arrangement ofmore » filled and empty pores on the shell of an infinite percolation cluster of filled pores determines the infiltration fluctuation probability. This probability has been calculated analytically. Allowance for these correlation effects during infiltration and defiltration makes it possible to suggest a physical mechanism of the contact angle hysteresis and to calculate the dependences of the contact angles on the degree of infiltration, porosity of the medium, and temperature. Based on the suggested model, we have managed to describe the temperature dependences of the infiltration and defiltration pressures and the thermal effects that accompany the absorption of energy by disordered porous medium-nonwetting liquid systems with various porosities in a unified way.« less

Interaction of fructose with other medium components to affect bioproduction of docosahexaenoic acid (DHA) by Aurantiochytrium sp. SW1

NASA Astrophysics Data System (ADS)

Manikan, Vidyah; Kalil, Mohd. Sahaid; Shuib, Shuwahida; Hamid, Aidil Abdul

2018-04-01

Thraustochytrids are a group of marine fungus-like microheterotrophs of which some can accumulate considerable amounts of the high valued omega-3 oil, docosahexaenoic acid (DHA). In this study, a local thraustochytrid isolate, Aurantiochytrium sp. SW1, was cultivated in a medium containing fructose as the major carbon source. The effects of this carbon source in interaction with yeast extract, monosodium glutamate (MSG) and sea salt were studied using a software-based two level full factorial design. Results showed that fructose as a single factor, has significant positive effect on the volumetric DHA content of SW1. Similarly, its interaction with yeast extract has profound positive effect. However, interactions of fructose with MSG and sea salt were significant negative effects. These results indicate that manipulation of the concentration of fructose in the culture medium may serve as a simple and useful strategy to help achieve preferred amount of DHA.

Initial tsunami signals in the lithosphere-ocean-atmosphere medium

NASA Astrophysics Data System (ADS)

Novik, O.; Ershov, S.; Mikhaylovskaya, I.

Satellite and ground based instrumentations for monitoring of dynamical processes under the Ocean floor 3 4 of the Earth surface and resulting catastrophic events should be adapted to unknown physical nature of transformation of the oceanic lithosphere s energy of seismogenic deformations into measurable acoustic electromagnetic EM temperature and hydrodynamic tsunami waves To describe the initial up to a tsunami wave far from a shore stage of this transformation and to understand mechanism of EM signals arising above the Ocean during seismic activation we formulate a nonlinear mathematical model of seismo-hydro-EM geophysical field interaction in the lithosphere-Ocean-atmosphere medium from the upper mantle under the Ocean up to the ionosphere domain D The model is based on the theory of elasticity electrodynamics fluid dynamics thermodynamics and geophysical data On the basis of this model and its mathematical investigation we calculate generation and propagation of different see above waves in the basin of a model marginal sea the data on the central part of the Sea of Japan were used At the moment t 0 the dynamic interaction process is supposed to be caused by weak may be precursory sub-vertical elastic displacements with the amplitude duration and main frequency of the order of a few cm sec and tenth of Hz respectively at the depth of 37 km under the sea level i e in the upper mantle Other seismic excitations may be considered as well The lithosphere EM signal is generated in the upper mantle conductive

Jet-induced medium excitation in γ-hadron correlation at RHIC

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

Chen, Wei; Cao, Shanshan; Luo, Tan

Both jet transport and jet-induced medium excitation are investigated simultaneously within the coupled Linear Boltzmann Transport and hydro (CoLBT-hydro) model. In this coupled approach, energy-momentum deposition from propagating jet shower partons in the elastic and radiation processes is taken as a source term in hydrodynamics and the hydro background for LBT simulation is updated for next time step. We use CoLBT-hydro model to simulate γ-jet events of Au+Au collisions at RHIC. Hadron spectra from both the hadronization of jet shower partons and jet-induced medium excitation are calculated and compared to experimental data. Parton energy loss of jet shower partons leadsmore » to the suppression of hadron yields at large z T = p h T/p γ T while medium excitations leads to enhancement of hadron yields at small z T. Meanwhile, a significant broadening of low p T hadron yields and the depletion of soft hadrons in the γ direction are observed in the calculation of γ-hadron angular correlation.« less

Jet-induced medium excitation in γ-hadron correlation at RHIC

DOE PAGES

Chen, Wei; Cao, Shanshan; Luo, Tan; ...

2017-09-25

Both jet transport and jet-induced medium excitation are investigated simultaneously within the coupled Linear Boltzmann Transport and hydro (CoLBT-hydro) model. In this coupled approach, energy-momentum deposition from propagating jet shower partons in the elastic and radiation processes is taken as a source term in hydrodynamics and the hydro background for LBT simulation is updated for next time step. We use CoLBT-hydro model to simulate γ-jet events of Au+Au collisions at RHIC. Hadron spectra from both the hadronization of jet shower partons and jet-induced medium excitation are calculated and compared to experimental data. Parton energy loss of jet shower partons leadsmore » to the suppression of hadron yields at large z T = p h T/p γ T while medium excitations leads to enhancement of hadron yields at small z T. Meanwhile, a significant broadening of low p T hadron yields and the depletion of soft hadrons in the γ direction are observed in the calculation of γ-hadron angular correlation.« less

Calculation of Physicochemical Properties for Short- and Medium-Chain Chlorinated Paraffins

NASA Astrophysics Data System (ADS)

Glüge, Juliane; Bogdal, Christian; Scheringer, Martin; Buser, Andreas M.; Hungerbühler, Konrad

2013-06-01

Short- and medium-chain chlorinated paraffins are potential PBT chemicals (persistent, bioaccumulative, toxic) and short-chain chlorinated paraffins are under review for inclusion in the UNEP Stockholm Convention on Persistent Organic Pollutants. Despite their high production volume of more than one million metric tonnes per year, only few data on their physicochemical properties are available. We calculated subcooled-liquid vapor pressure, subcooled-liquid solubility in water and octanol, Henry's law constant for water and octanol, as well as the octanol-water partition coefficient with the property calculation methods COSMOtherm, SPARC, and EPI Suite™, and compared the results to experimental data from the literature. For all properties, good or very good agreement between calculated and measured data was obtained for COSMOtherm; results from SPARC were in good agreement with the measured data except for subcooled-liquid water solubility, whereas EPI Suite™ showed the largest discrepancies for all properties. After critical evaluation of the three property calculation methods, a final set of recommended property data for short- and medium-chain chlorinated paraffins was derived. The calculated property data show interesting relationships with chlorine content and carbon chain length. Increasing chlorine content does not cause pronounced changes in water solubility and octanol-water partition coefficient (KOW) as long as it is below 55%. Increasing carbon chain length leads to strong increases in KOW and corresponding decreases in subcooled-liquid water solubility. The present data set can be used in further studies to assess the environmental fate and human exposure of this relevant compound class.

Proton-Nucleus Elastic Cross Sections Using Two-Body In-Medium Scattering Amplitudes

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, John W.; Cucinotta, Francis A.

2001-01-01

Recently, a method was developed of extracting nucleon-nucleon (NN) cross sections in the medium directly from experiment. The in-medium NN cross sections form the basic ingredients of several heavy-ion scattering approaches including the coupled-channel approach developed at the Langley Research Center. The ratio of the real to the imaginary part of the two-body scattering amplitude in the medium was investigated. These ratios are used in combination with the in-medium NN cross sections to calculate elastic proton-nucleus cross sections. The agreement is excellent with the available experimental data. These cross sections are needed for the radiation risk assessment of space missions.

Calculation of the mixing chamber of an ejector chemical oxygen - iodine laser

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

Zagidullin, M V; Nikolaev, V D

2001-06-30

Gas parameters are calculated at the outlet of the mixing chamber of an ejector chemical oxygen-iodine laser with a nozzle unit consisting of nozzles of three types, which provides a total pressure of the active medium that substantially exceeds a pressure in the generator of singlet oxygen. This technique of forming the laser active medium substantially facilitates the ejection of the exhaust gas to the atmosphere by using a diffuser and single-stage vacuum systems based on water circulating pumps. (lasers, active media)

Direct observation and theory of trajectory-dependent electronic energy losses in medium-energy ion scattering.

PubMed

Hentz, A; Parkinson, G S; Quinn, P D; Muñoz-Márquez, M A; Woodruff, D P; Grande, P L; Schiwietz, G; Bailey, P; Noakes, T C Q

2009-03-06

The energy spectrum associated with scattering of 100 keV H+ ions from the outermost few atomic layers of Cu(111) in different scattering geometries provides direct evidence of trajectory-dependent electronic energy loss. Theoretical simulations, combining standard Monte Carlo calculations of the elastic scattering trajectories with coupled-channel calculations to describe inner-shell ionization and excitation as a function of impact parameter, reproduce the effects well and provide a means for far more complete analysis of medium-energy ion scattering data.

Phase space information in a non-linear quantum system containing a Kerr-like medium through Su(1, 1)-algebraic treatment

NASA Astrophysics Data System (ADS)

Mohamed, Abdel-Baset A.

2018-05-01

Analytical description for a Su(2)-quantum system interacting with a damped Su(1, 1)-cavity, which is filled with a non-linear Kerr medium, is presented. The dynamics of non-classicality of Su(1, 1)-state is investigated via the negative part of the Wigner function. We show that the negative part depends on the unitary interaction and the Kerr-like medium and it can be disappeared by increasing the dissipation rate and the detuning parameter. The phase space information of the Husimi function and its Wehrl density is very sensitive not only to the coupling to the environment and the unitary interaction but also to the detuning as well as to the Kerr-like medium. The phase space information may be completely erased by increasing the coupling to the environment. The coherence loss of the Su(2)-state is investigated via the Husimi Wehrl entropy. If the effects of the detuning parameter or/and of the Kerr-like medium are combined with the damping effect, the damping effect of the coupling to the environment may be weaken, and the Wehrl entropy is delayed to reach its steady-state value. At the steady-state value, the phase space information and the coherence are quickly lost.

The impact of banners on digital television: the role of program interactivity and product involvement.

PubMed

Cauberghe, Verolien; De Pelsmacker, Patrick

2008-02-01

In a sample of 281 respondents, the effect of a noninteractive and a medium-interactive television program on recall and brand attitudes for low- and high-involvement products advertised in banners during these programs was investigated. Medium-interactive programs resulted in less product and brand recall and recognition of brands in embedded banner advertisements, but generated more positive brand attitudes than noninteractive programs. These effects were more outspoken for a high-involvement product than for a low-involvement product. The impact of perceived program interactivity on brand attitude is fully mediated program valence and involvement for low-involvement products, but not for high-involvement products, for which perceived program interactivity had a direct impact on brand attitude.

A theoretical study of complexes formed between cations and curved aromatic systems: electrostatics does not always control cation-π interaction.

PubMed

Carrazana-García, Jorge A; Cabaleiro-Lago, Enrique M; Rodríguez-Otero, Jesús

2017-04-19

The present work studies the interaction of two extended curved π-systems (corannulene and sumanene) with various cations (sodium, potassium, ammonium, tetramethylammonium, guanidinium and imidazolium). Polyatomic cations are models of groups found in important biomolecules in which cation-π interaction plays a fundamental role. The results indicate an important size effect: with extended π systems and cations of the size of potassium and larger, dispersion is much more important than has been generally recognized for cation-π interactions. In most of the systems studied here, the stability of the cation-π complexes is the result of a balanced combination of electrostatic, induction and dispersion contributions. None of the systems studied here owes its stability to the electrostatic interaction more than 42%. Induction dominates stabilization in complexes with sodium, and in some of the potassium and ammonium complexes. In complexes with large cations and with flat cations dispersion is the major stabilizing contribution and can provide more than 50% of the stabilization energy. This implies that theoretical studies of the cation-π interaction involving large or even medium-size fragments require a level of calculation capable of properly modelling dispersion. The separation between the cation and the π system is another important factor to take into account, especially when the fragments of the cation-π complex are bound (for example, to a protein backbone) and cannot interact at the most favourable distance.

Stability Test for Transient-Temperature Calculations

NASA Technical Reports Server (NTRS)

Campbell, W.

1984-01-01

Graphical test helps assure numerical stability of calculations of transient temperature or diffusion in composite medium. Rectangular grid forms basis of two-dimensional finite-difference model for heat conduction or other diffusion like phenomena. Model enables calculation of transient heat transfer among up to four different materials that meet at grid point.

Citrate coated silver nanoparticles with modulatory effects on aflatoxin biosynthesis in Aspergillus parasiticus

NASA Astrophysics Data System (ADS)

Mitra, Chandrani

The manufacture and usage of silver nanoparticles has drastically increased in recent years (Fabrega et al. 2011a). Hence, the levels of nanoparticles released into the environment through various routes have measurably increased and therefore are concern to the environment and to public health (Panyala, Pena-Mendez and Havel 2008). Previous studies have shown that silver nanoparticles are toxic to various organisms such as bacteria (Kim et al. 2007), fungi (Kim et al. 2008), aquatic plants (He, Dorantes-Aranda and Waite 2012a), arthropods (Khan et al. 2015), and mammalian cells (Asharani, Hande and Valiyaveettil 2009) etc. Most of the toxicity studies are carried out using higher concentrations or lethal doses of silver nanoparticles. However, there is no information available on how the fungal community reacts to the silver nanoparticles at nontoxic concentrations. In this study, we have investigated the effect of citrate coated silver nanoparticles (AgNp-cit) at a size of 20nm on Aspergillus parasiticus, a popular plant pathogen and well-studied model for secondary metabolism (natural product synthesis). A. parasiticus produces 4 major types of aflatoxins. Among other aflatoxins, aflatoxin B1 is considered to be one of most potent naturally occurring liver carcinogen, and is associated with an estimated 155,000 liver cancer cases globally (Liu and Wu 2010); therefore, contaminated food and feed are a significant risk factor for liver cancer in humans and animals (CAST 2003; Liu and Wu 2010). In this study, we have demonstrated the uptake of AgNp-cit (20nm) by A. parasiticus cells from the growth medium using a time course ICP-OES experiment. It was observed that the uptake of AgNp-cit had no effect on fungal growth and significantly decreased intracellular oxidative stress. It also down-regulated aflatoxin biosynthesis at the level of gene expression of aflatoxin pathway genes and the global regulatory genes of secondary metabolism. We also observed that the fungus successfully reverts its aflatoxin biosynthesis to normal levels once the level of AgNp-cit decreased significantly in the growth medium. A stability study of AgNp-cit in the fungal growth medium, along with mycelia, was conducted using UV-vis spectroscopy. The result showed that the distinctive peak (at 395nm wavelength) of silver nanoparticles, size of 20nm, shifted to a higher wavelength (400nm-500nm), broadened, and decreased over time. At 30-hour post inoculation the UV-vis peak at 395 nm wavelength was not observed at all. The peak shifts may occur due to organic molecules from the medium replacing the citrate surface coating. Another possible explanation for the peak shift are the interactions between the surface coating and other inorganic components in the medium. Peak broadening may suggest possible aggregation or formation of corona on the surface of AgNp due to particle-protein interactions (leading to AgNp aggregation in the growth medium). Reduction of peak height may suggest nanoparticle uptake by the mycelia, dissolution of nanoparticles into charged ions as well as possible interaction with other ions in the growth medium or the formation of precipitate of silver salt. We have investigated effects of different sizes (15 nm, 20 nm, and 30 nm) of AgNp-cit and pvp coated silver nanoparticles (AgNp-pvp (20 nm)) on growth and aflatoxin B1 biosynthesis in A. parasiticus. AgNp-cit size of 15nm showed maximum aflatoxin inhibition at 25ng/mL. For 20nm and 30nm AgNp-cit the strongest aflatoxin inhibition was observed at 50ng/mL concentration. The aflatoxin inhibitory effect was also found to be AgNp coating dependent. For 20nm AgNp-cit the strongest aflatoxin inhibition was seen at 50ng/mL (calculated) while for 20nm AgNp-pvp, the maximum aflatoxin inhibition was observed at 60ng/mL (calculated) concentration. Acute toxicity of silver nanoparticles on various organisms are well-studied but large knowledge gap still exist on the assessment of its chronic toxicity at low concentrations. Our study suggested that at low concentrations (ng/mL) AgNp still can produce biological effects on fungal cells. Further understanding of AgNp induced biological effects at low concentrations/environmentally relevant concentrations is necessary in investigating the environmental health effects.

Plastic scintillators in coincidence for the study of multi-particle production of sea level cosmic rays in dense medium

NASA Technical Reports Server (NTRS)

Chuang, L. S.; Chan, K. W.; Wada, M.

1985-01-01

Cosmic ray particles at sea level penetrate a thick layer of dense medium without appreciable interaction. These penetrating particles are identified with muons. The only appreciable interaction of muons are by knock on processes. A muon may have single, double or any number of knock on with atoms of the material so that one, two, three or more particles will come out from the medium in which the knock on processes occur. The probability of multiparticle production is expected to decrease with the increase of multiplicity. Measurements of the single, double, and triple particles generated in a dense medium (Fe and Al) by sea level cosmic rays at 22.42 N. Lat. and 114.20 E. Long. (Hong Kong) are presented using a detector composed of two plastic scintillators connected in coincidence.

On the exploitation of seismic resonances for cavity detection

NASA Astrophysics Data System (ADS)

Schneider, Felix M.; Esterhazy, Sofi; Perugia, Ilaria; Bokelmann, Götz

2017-04-01

We study the interaction of a seismic wave-field with a spherical acoustic gas- or fluid-filled cavity. The intention of this study is to clarify whether seismic resonances can be expected, a characteristic feature, which may help detecting cavities in the subsurface. This is important for many applications, as in particular the detection of underground nuclear explosions which are to be prohibited by the Comprehensive-Test-Ban-Treaty (CTBT). On-Site Inspections (OSI) should assure possible violation of the CTBT to be convicted after detection of a suspicious event from a nuclear explosion by the international monitoring system (IMS). One primary structural target for the field team during an OSI is the detection of cavities created by underground nuclear explosions. The application of seismic resonances of the cavity for its detection has been proposed in the CTBT by mentioning "resonance seismometry" as possible technique during OSIs. In order to calculate the full seismic wave-field from an incident plane wave that interacts with the cavity, we considered an analytic formulation of the problem. The wave-field interaction consists of elastic scattering and the wave-field interaction between the acoustic and elastic media. Acoustic resonant modes, caused by internal reflections in the acoustic cavity, show up as spectral peaks in the frequency domain. The resonant peaks are in close correlation to the eigenfrequencies of the undamped system described by the particular acoustic medium bounded in a sphere with stiff walls. The filling of the cavity could thus be determined by the observation of spectral peaks from acoustic resonances. By energy transmission from the internal oscillations back into the elastic domain and intrisic attenuation, the oscillations experience damping, resulting in a frequency shift and a limitation of the resonance amplitudes. In case of a gas-filled cavity the impedance contrast is high resulting in very narrow, high-amplitude resonances. In synthetic seismograms calculated in the surrounding elastic domain, the acoustic resonances of gas-filled cavities show up as persisting oscillations. However, due to the weak acoustic-elastic coupling in this case the amplitudes of the oscillations are very low. Due to a lower impedance contrast, a fluid-filled cavity has a stronger acoustic-elastic coupling, which results in wide spectral peaks of lower amplitudes. In the synthetic seismograms derived in the surrounding medium of fluid-filled cavities, acoustic resonances show up as strong but fast decaying reverberations. Based on the analytical modeling methods for exploitation of these resonance features are developed and discussed.

Overview of Optical and Thermal Laser-Tissue Interaction and Nomenclature

NASA Astrophysics Data System (ADS)

Welch, Ashley J.; van Gemert, Martin J. C.

The development of a unified theory for the optical and thermal response of tissue to laser radiation is no longer in its infancy, though it is still not fully developed. This book describes our current understanding of the physical events that can occur when light interacts with tissue, particularly the sequence of formulations that estimate the optical and thermal responses of tissue to laser radiation. This overview is followed by an important chapter that describes the basic interactions of light with tissue. Part I considers basic tissue optics. Tissue is treated as an absorbing and scattering medium and methods are presented for calculating and measuring light propagation, including polarized light. Also, methods for estimating tissue optical properties from measurements of reflection and transmission are discussed. Part II concerns the thermal response of tissue owing to absorbed light, and rate reactions are presented for predicting the extent of laser induced thermal damage. Methods for measuring temperature, thermal properties, rate constants, pulsed ablation and laser tissue interactions are detailed. Part III is devoted to examples that use the theory presented in Parts I and II to analyze various medical applications of lasers. Discussions of Optical Coherence Tomography (OCT), forensic optics, and light stimulation of nerves are also included.

Intracellular Biosynthesis of Fluorescent CdSe Quantum Dots in Bacillus subtilis: A Strategy to Construct Signaling Bacterial Probes for Visually Detecting Interaction Between Bacillus subtilis and Staphylococcus aureus.

PubMed

Yan, Zheng-Yu; Ai, Xiao-Xia; Su, Yi-Long; Liu, Xin-Ying; Shan, Xiao-Hui; Wu, Sheng-Mei

2016-02-01

In this work, fluorescent Bacillus subtilis (B. subtilis) cells were developed as probes for imaging applications and to explore behaviorial interaction between B. subtilis and Staphylococcus aureus (S. aureus). A novel biological strategy of coupling intracellular biochemical reactions for controllable biosynthesis of CdSe quantum dots by living B. subtilis cells was demonstrated, through which highly luminant and photostable fluorescent B. subtilis cells were achieved with good uniformity. With the help of the obtained fluorescent B. subtilis cells probes, S. aureus cells responded to co-cultured B. subtilis and to aggregate. The degree of aggregation was calculated and nonlinearly fitted to a polynomial model. Systematic investigations of their interactions implied that B. subtilis cells inhibit the growth of neighboring S. aureus cells, and this inhibition was affected by both the growth stage and the amount of surrounding B. subtilis cells. Compared to traditional methods of studying bacterial interaction between two species, such as solid culture medium colony observation and imaging mass spectrometry detection, the procedures were more simple, vivid, and photostable due to the efficient fluorescence intralabeling with less influence on the cells' surface, which might provide a new paradigm for future visualization of microbial behavior.

Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark data.

PubMed

Pitonák, Michal; Neogrády, Pavel; Cerný, Jirí; Grimme, Stefan; Hobza, Pavel

2009-01-12

Scaled MP3 interaction energies calculated as a sum of MP2/CBS (complete basis set limit) interaction energies and scaled third-order energy contributions obtained in small or medium size basis sets agree very closely with the estimated CCSD(T)/CBS interaction energies for the 22 H-bonded, dispersion-controlled and mixed non-covalent complexes from the S22 data set. Performance of this so-called MP2.5 (third-order scaling factor of 0.5) method has also been tested for 33 nucleic acid base pairs and two stacked conformers of porphine dimer. In all the test cases, performance of the MP2.5 method was shown to be superior to the scaled spin-component MP2 based methods, e.g. SCS-MP2, SCSN-MP2 and SCS(MI)-MP2. In particular, a very balanced treatment of hydrogen-bonded compared to stacked complexes is achieved with MP2.5. The main advantage of the approach is that it employs only a single empirical parameter and is thus biased by two rigorously defined, asymptotically correct ab-initio methods, MP2 and MP3. The method is proposed as an accurate but computationally feasible alternative to CCSD(T) for the computation of the properties of various kinds of non-covalently bound systems.

Comparative 4f-4f absorption spectral study for the interactions of Nd(III) with some amino acids: Preliminary thermodynamics and kinetic studies of interaction of Nd(III):glycine with Ca(II)

NASA Astrophysics Data System (ADS)

Moaienla, T.; Bendangsenla, N.; David Singh, Th.; Sumitra, Ch.; Rajmuhon Singh, N.; Indira Devi, M.

2012-02-01

Spectral analysis of Nd(III) complexes with some amino acids viz.; glycine, L-alanine, L-phenylalanine and L-aspartic acid in the presence and absence of Ca 2+ was carried out in some organic solvents; CH 3OH, CH 3CN, DMF and dioxane using comparative absorption spectra of 4f-4f transitions. The study was carried out by evaluating various energy interaction parameters like Slator-Condon ( Fk), Lande factor ( ξ4f), nephelauxetic ratio ( β), bonding parameter ( b1/2), percent-covalency ( δ) by applying partial and multiple regression analysis. The values of oscillator strength ( Pobs) and Judd-Ofelt electric dipole intensity parameter Tλ ( λ = 2, 4, 6) for different 4f-4f transitions have been calculated. On analysis of the variation of the various energy interaction parameters as well as the changes in the oscillator strength ( Pobs) and Tλ values, reveal the mode of binding with the different ligands. Kinetic studies for the complexation of Nd(III):glycine:Ca(II) have also been discussed at different temperatures in DMF medium and from it the values of activation energy ( Ea) and thermodynamic parameters like Δ H°, Δ S° and Δ G° for the complexation are evaluated.

Children's Learning from Touch Screens: A Dual Representation Perspective.

PubMed

Sheehan, Kelly J; Uttal, David H

2016-01-01

Parents and educators often expect that children will learn from touch screen devices, such as during joint e-book reading. Therefore an essential question is whether young children understand that the touch screen can be a symbolic medium - that entities represented on the touch screen can refer to entities in the real world. Research on symbolic development suggests that symbolic understanding requires that children develop dual representational abilities, meaning children need to appreciate that a symbol is an object in itself (i.e., picture of a dog) while also being a representation of something else (i.e., the real dog). Drawing on classic research on symbols and new research on children's learning from touch screens, we offer the perspective that children's ability to learn from the touch screen as a symbolic medium depends on the effect of interactivity on children's developing dual representational abilities. Although previous research on dual representation suggests the interactive nature of the touch screen might make it difficult for young children to use as a symbolic medium, the unique interactive affordances may help alleviate this difficulty. More research needs to investigate how the interactivity of the touch screen affects children's ability to connect the symbols on the screen to the real world. Given the interactive nature of the touch screen, researchers and educators should consider both the affordances of the touch screen as well as young children's cognitive abilities when assessing whether young children can learn from it as a symbolic medium.

Reconstruction of refractive index profile of a stratified medium

NASA Astrophysics Data System (ADS)

Vogelzang, E.; Ferwerda, H. A.; Yevick, D.

In this paper, a method for determining the permittivity profile of a stratified medium terminated by a perfect conductor from the (complex) reflectivity is presented. The calculations are based on the Gelfand-Levitan and the Marchenko equations. The bound modes of the system are explicitly taken into account.

Reflection-refraction of attenuated waves at the interface between a thermo-poroelastic medium and a thermoelastic medium

NASA Astrophysics Data System (ADS)

Sharma, M. D.

2018-07-01

Phenomenon of reflection and refraction is considered at the plane interface between a thermoelastic medium and thermo-poroelastic medium. Both the media are isotropic and behave dissipative to wave propagation. Incident wave in thermo-poroelastic medium is considered inhomogeneous with deviation allowed between the directions of propagation and maximum attenuation. For this incidence, four attenuated waves reflect back in thermo-poroelastic medium and three waves refract to the continuing thermoelastic medium. Each of these reflected/refracted waves is inhomogeneous and propagates with a phase shift. The propagation characteristics (velocity, attenuation, inhomogeneity, phase shift, amplitude, energy) of reflected and refracted waves are calculated as functions of propagation direction and inhomogeneity of the incident wave. Variations in these propagation characteristics with the incident direction are illustrated through a numerical example.

Methods for calculating the vergence of an astigmatic ray bundle in an optical system that contains a freeform surface

NASA Astrophysics Data System (ADS)

Shirayanagi, Moriyasu

2016-10-01

A method using the generalized Coddington equations enables calculating the vergence of an astigmatic ray bundle in the vicinity of a skew ray in an optical system containing a freeform surface. Because this method requires time-consuming calculations, however, there is still room for increasing the calculation speed. In addition, this method cannot be applied to optical systems containing a medium with a gradient index. Therefore, we propose two new calculation methods in this paper. The first method, using differential ray tracing, enables us to shorten computation time by using simpler algorithms than those used by conventional methods. The second method, using proximate rays, employs only the ray data obtained from the rays exiting an optical system. Therefore, this method can be applied to an optical system that contains a medium with a gradient index. We show some sample applications of these methods in the field of ophthalmic optics.

Interactions of stars and interstellar matter in Scorpio Centaurus

NASA Technical Reports Server (NTRS)

De Geus, E. J.

1992-01-01

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

Thermal affected zone obtained in machining steel XC42 by high-power continuous CO 2 laser

NASA Astrophysics Data System (ADS)

Jebbari, Neila; Jebari, Mohamed Mondher; Saadallah, Faycal; Tarrats-Saugnac, Annie; Bennaceur, Raouf; Longuemard, Jean Paul

2008-09-01

A high-power continuous CO 2 laser (4 kW) can provide energy capable of causing melting or even, with a special treatment of the surface, vaporization of an XC42-steel sample. The laser-metal interaction causes an energetic machining mechanism, which takes place according to the assumption that the melting front precedes the laser beam, such that the laser beam interacts with a preheated surface whose temperature is near the melting point. The proposed model, obtained from the energy balance during the interaction time, concerns the case of machining with an inert gas jet and permits the calculation of the characteristic parameters of the groove according to the characteristic laser parameters (absorbed laser energy and impact diameter of the laser beam) and allows the estimation of the quantity of the energy causing the thermal affected zone (TAZ). This energy is equivalent to the heat quantity that must be injected in the heat propagation equation. In the case of a semi-infinite medium with fusion temperature at the surface, the resolution of the heat propagation equation gives access to the width of the TAZ.

HSTRESS: A computer program to calculate the height of a hydraulic fracture in a multi-layered stress medium

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

Warpinski, N.R.

A computer code for calculating hydraulic fracture height and width in a stressed-layer medium has been modified for easy use on a personal computer. HSTRESS allows for up to 51 layers having different thicknesses, stresses and fracture toughnesses. The code can calculate fracture height versus pressure or pressure versus fracture height, depending on the design model in which the data will be used. At any pressure/height, a width profile is calculated and an equivalent width factor and flow resistance factor are determined. This program is written in FORTRAN. Graphics use PLOT88 software by Plotworks, Inc., but the graphics software mustmore » be obtained by the user because of licensing restrictions. A version without graphics can also be run. This code is available through the National Energy Software Center (NESC), operated by Argonne National Laboratory. 14 refs., 21 figs.« less

SU-F-19A-10: Recalculation and Reporting Clinical HDR 192-Ir Head and Neck Dose Distributions Using Model Based Dose Calculation

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

Carlsson Tedgren, A; Persson, M; Nilsson, J

Purpose: To retrospectively re-calculate dose distributions for selected head and neck cancer patients, earlier treated with HDR 192Ir brachytherapy, using Monte Carlo (MC) simulations and compare results to distributions from the planning system derived using TG43 formalism. To study differences between dose to medium (as obtained with the MC code) and dose to water in medium as obtained through (1) ratios of stopping powers and (2) ratios of mass energy absorption coefficients between water and medium. Methods: The MC code Algebra was used to calculate dose distributions according to earlier actual treatment plans using anonymized plan data and CT imagesmore » in DICOM format. Ratios of stopping power and mass energy absorption coefficients for water with various media obtained from 192-Ir spectra were used in toggling between dose to water and dose to media. Results: Differences between initial planned TG43 dose distributions and the doses to media calculated by MC are insignificant in the target volume. Differences are moderate (within 4–5 % at distances of 3–4 cm) but increase with distance and are most notable in bone and at the patient surface. Differences between dose to water and dose to medium are within 1-2% when using mass energy absorption coefficients to toggle between the two quantities but increase to above 10% for bone using stopping power ratios. Conclusion: MC predicts target doses for head and neck cancer patients in close agreement with TG43. MC yields improved dose estimations outside the target where a larger fraction of dose is from scattered photons. It is important with awareness and a clear reporting of absorbed dose values in using model based algorithms. Differences in bone media can exceed 10% depending on how dose to water in medium is defined.« less

Femtosecond time-domain observation of atmospheric absorption in the near-infrared spectrum

NASA Astrophysics Data System (ADS)

Hammond, T. J.; Monchocé, Sylvain; Zhang, Chunmei; Brown, Graham G.; Corkum, P. B.; Villeneuve, D. M.

2016-12-01

As light propagates through a medium, absorption caused by electronic or rovibrational transitions is evident in the transmitted spectrum. The incident electromagnetic field polarizes the medium and the absorption is due to the imaginary part of the linear susceptibility. In the time domain, the field establishes a coherence in the medium that radiates out of phase with the initial field. This coherence can persist for tens of picoseconds in atmospheric molecules such as H2O . We propagate a few-cycle laser pulse centered at 1.8 μ m through the atmosphere and measure the long-lasting molecular coherence in the time domain by high-order harmonic cross correlation. The measured optical free-induction decay of the pulse is compared with a calculation based on the calculated rovibrational spectrum of H2O absorption.

A new method for photon transport in Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Sato, T.; Ogawa, K.

1999-12-01

Monte Carlo methods are used to evaluate data methods such as scatter and attenuation compensation in single photon emission CT (SPECT), treatment planning in radiation therapy, and in many industrial applications. In Monte Carlo simulation, photon transport requires calculating the distance from the location of the emitted photon to the nearest boundary of each uniform attenuating medium along its path of travel, and comparing this distance with the length of its path generated at emission. Here, the authors propose a new method that omits the calculation of the location of the exit point of the photon from each voxel and of the distance between the exit point and the original position. The method only checks the medium of each voxel along the photon's path. If the medium differs from that in the voxel from which the photon was emitted, the authors calculate the location of the entry point in the voxel, and the length of the path is compared with the mean free path length generated by a random number. Simulations using the MCAT phantom show that the ratios of the calculation time were 1.0 for the voxel-based method, and 0.51 for the proposed method with a 256/spl times/256/spl times/256 matrix image, thereby confirming the effectiveness of the algorithm.

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

Hopfield-Kerr model and analogue black hole radiation in dielectrics

NASA Astrophysics Data System (ADS)

Belgiorno, F.; Cacciatori, S. L.; Dalla Piazza, F.; Doronzo, M.

2017-11-01

In the context of the interaction between the electromagnetic field and a dielectric dispersive lossless medium, we present a nonlinear version of the relativistically covariant Hopfield model, which is suitable for the description of a dielectric Kerr perturbation propagating in a dielectric medium. The nonlinearity is introduced in the Lagrangian through a self-interacting term proportional to the fourth power of the polarization field. We find an exact solution for the nonlinear equations describing a propagating perturbation in the dielectric medium. Furthermore, the presence of an analogue Hawking effect, as well as the thermal properties of the model, are discussed, confirming and improving the results achieved in the scalar case.

Elastic and inelastic scattering for the 10B+58Ni system at near-barrier energies

NASA Astrophysics Data System (ADS)

Scarduelli, V.; Crema, E.; Guimarães, V.; Abriola, D.; Arazi, A.; de Barbará, E.; Capurro, O. A.; Cardona, M. A.; Gallardo, J.; Hojman, D.; Martí, G. V.; Pacheco, A. J.; Rodrígues, D.; Yang, Y. Y.; Deshmukh, N. N.; Paes, B.; Lubian, J.; Mendes Junior, D. R.; Morcelle, V.; Monteiro, D. S.

2017-11-01

Full angular distributions of the 10B elastically and inelastically scattered by 58Ni have been measured at different energies around the Coulomb barrier. The elastic and inelastic scattering of 10B on a medium mass target has been measured for the first time. The obtained angular distributions have been analyzed in terms of large-scale coupled reaction channel calculations, where several inelastic transitions of the projectile and the target, as well as the most relevant one- and two-step transfer reactions have been included in the coupling matrix. The roles of the spin reorientation, the spin-orbit interaction, and the large ground-state deformation of the 10B, in the reaction mechanism, were also investigated. The real part of the interaction potential between projectile and target was represented by a parameter-free double-folding potential, whereas no imaginary potential at the surface was considered. In this sense, the theoretical calculations were parameter free and their results were compared to experimental data to investigate the relative importance of the different reaction channels. A striking influence of the ground-state spin reorientation of the 10B nucleus was found, while all transfer reactions investigated had a minimum contribution to the dynamics of the system. Finally, the large static deformation of the 10B and the spin-orbit coupling can also play an important role in the system studied.

Morphology Tuning of Strontium Tungstate Nanoparticles

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

Joseph, S.; George, T.; George, K. C.

2007-08-22

Strontium tungstate nanocrystals in two different morphologies are successfully synthesized by controlled precipitation in aqueous and in poly vinyl alcohol (PVA) medium. Structural characterizations are carried out by XRD and SEM. The average particle size calculated for the SrWO4 prepared in the two different solvents ranges 20-24 nm. The SEM pictures show that the surface morphologies of the SrWO4 nanoparticles in aqueous medium resemble mushroom and the SrWO4 nanoparticles in PVA medium resemble cauliflower. Investigations on the room temperature luminescent properties of the strontium tungstate nanoparticles prepared in aqueous and PVA medium shows strong emissions around 425 nm.

Kinetics of the Active Medium of a Copper Vapor Brightness Amplifier

NASA Astrophysics Data System (ADS)

Kulagin, A. E.; Torgaev, S. N.; Evtushenko, G. S.; Trigub, M. V.

2018-03-01

A spatiotemporal kinetics of the active medium of a copper vapor brightness amplifier is described that allows gain characteristics to be investigated during the pump pulse. Model calculations show that changing the discharge parameters allows the radial gain profiles to be improved significantly, as well as the gain and the inversion duration to be increased. The data obtained will be used to choose the operating conditions for the active medium in the brightness amplifier mode.

Disjunction between Language Policy and Children's Sociocultural Ecology--An Analysis of English-Medium Education Policy in Pakistan

ERIC Educational Resources Information Center

Manan, Syed Abdul; David, Maya Khemlani; Dumanig, Francisco Perlas

2015-01-01

Sociocultural theory and constructionists propose that language learning is a socially and culturally mediated process, and they emphasize on social interaction. This study examines the amount of students' exposure to the school language to account for the link between English-medium policies in low-fee English-medium schools and children's…

The Use of Arabic in Kuwaiti EFL Classrooms: An Exploratory Study on the Patterns and Functions of Language Choice

ERIC Educational Resources Information Center

Bader Alghasab, Maha

2017-01-01

This study examines the relationship between the functions and patterns of language choice in EFL classrooms in a Kuwaiti primary school. It applies the overall order model, specifically the medium of classroom interaction, to identify three patterns of language choice: an English monolingual medium, an Arabic monolingual medium and a bilingual…

Formation of cyanoallene (buta-2, 3-dienenitrile) in the interstellar medium: a quantum chemical and spectroscopic study

NASA Astrophysics Data System (ADS)

Singh, Amresh; Shivani; Misra, Alka; Tandon, Poonam

2014-03-01

The interstellar medium, filling the vast space between stars, is a rich reservoir of molecular material ranging from simple diatomic molecules to more complex, astrobiologically important molecules such as vinylcyanide, methylcyanodiaccetylene, cyanoallene, etc. Interstellar molecular cyanoallene is one of the most stable isomers of methylcynoacetylene. An attempt has been made to explore the possibility of forming cyanoallene in interstellar space by radical-radical and radical-molecule interaction schemes in the gaseous phase. The formation of cyanoallene starting from some simple, neutral interstellar molecules and radicals has been studied using density functional theory. The reaction energies and structures of the reactants and products show that the formation of cyanoallene is possible in the gaseous phase. Both of the considered reaction paths are totally exothermic and barrierless, thus giving rise to a high probability of occurrence. Rate constants for each step in the formation process of cyanoallene in both the reaction paths are estimated. A full vibrational analysis has been attempted for cyanoallene in the harmonic and anharmonic approximations. Anharmonic spectroscopic parameters such as rotational constants, rotation-vibration coupling constants and centrifugal distortion constants have been calculated.

Texas A&M University in the JET Collaboration - Final Report

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

Fries, Rainer; Ko, Che-Ming

This final report summarizes the work done by PIs at Texas A&M University within the JET Topical Collaboration. The main focus of the group at Texas A&M has been the development and implementation of a hadronization model suitable to calculate hadronization of jet showers in heavy ion collisions event by event. The group successfully developed a hybrid model of parton recombination and remnant string fragmentation including recombination with thermal partons. A code realizing this model was developed and shared with other JET members. In addition, the group at Texas A&M worked on both open and hidden heavy flavor probes. Inmore » particular, they developed a description of heavy flavor hadronization based on recombination, and consistent with in-medium scattering rates of heavy quarks, and suggested the D s meson as a precise probe of the hadronization mechanism. Another noteworthy focus of their work was electromagnetic probes, in particular, dileptons and photons from interactions of jets with the medium. In the soft sector the group has made several contributions to modern topics, e.g. the splitting of elliptic flow between isospin partners and the role of the initial strong gluon fields.« less

Out-of-time-order correlators in finite open systems

NASA Astrophysics Data System (ADS)

Syzranov, S. V.; Gorshkov, A. V.; Galitski, V.

2018-04-01

We study out-of-time-order correlators (OTOCs) of the form for a quantum system weakly coupled to a dissipative environment. Such an open system may serve as a model of, e.g., a small region in a disordered interacting medium coupled to the rest of this medium considered as an environment. We demonstrate that for a system with discrete energy levels the OTOC saturates exponentially ∝∑aie-t /τi+const to a constant value at t →∞ , in contrast with quantum-chaotic systems which exhibit exponential growth of OTOCs. Focusing on the case of a two-level system, we calculate microscopically the decay times τi and the value of the saturation constant. Because some OTOCs are immune to dephasing processes and some are not, such correlators may decay on two sets of parametrically different time scales related to inelastic transitions between the system levels and to pure dephasing processes, respectively. In the case of a classical environment, the evolution of the OTOC can be mapped onto the evolution of the density matrix of two systems coupled to the same dissipative environment.

A New Kinetic Simulation Model with Self-Consistent Calculation of Regolith Layer Charging for Moon-Plasma Interactions

NASA Astrophysics Data System (ADS)

Han, D.; Wang, J.

2015-12-01

The moon-plasma interactions and the resulting surface charging have been subjects of extensive recent investigations. While many particle-in-cell (PIC) based simulation models have been developed, all existing PIC simulation models treat the surface of the Moon as a boundary condition to the plasma flow. In such models, the surface of the Moon is typically limited to simple geometry configurations, the surface floating potential is calculated from a simplified current balance condition, and the electric field inside the regolith layer cannot be resolved. This paper presents a new full particle PIC model to simulate local scale plasma flow and surface charging. A major feature of this new model is that the surface is treated as an "interface" between two mediums rather than a boundary, and the simulation domain includes not only the plasma but also the regolith layer and the bedrock underneath it. There are no limitations on the surface shape. An immersed-finite-element field solver is applied which calculates the regolith surface floating potential and the electric field inside the regolith layer directly from local charge deposition. The material property of the regolith layer is also explicitly included in simulation. This new model is capable of providing a self-consistent solution to the plasma flow field, lunar surface charging, the electric field inside the regolith layer and the bedrock for realistic surface terrain. This new model is applied to simulate lunar surface-plasma interactions and surface charging under various ambient plasma conditions. The focus is on the lunar terminator region, where the combined effects from the low sun elevation angle and the localized plasma wake generated by plasma flow over a rugged terrain can generate strongly differentially charged surfaces and complex dust dynamics. We discuss the effects of the regolith properties and regolith layer charging on the plasma flow field, dust levitation, and dust transport.

Nonlinear Dynamics of Turbulent Thermals in Shear Flow

NASA Astrophysics Data System (ADS)

Ingel, L. Kh.

2018-03-01

The nonlinear integral model of a turbulent thermal is extended to the case of the horizontal component of its motion relative to the medium (e.g., thermal floating-up in shear flow). In contrast to traditional models, the possibility of a heat source in the thermal is taken into account. For a piecewise constant vertical profile of the horizontal velocity of the medium and a constant vertical velocity shear, analytical solutions are obtained which describe different modes of dynamics of thermals. The nonlinear interaction between the horizontal and vertical components of thermal motion is studied because each of the components influences the rate of entrainment of the surrounding medium, i.e., the growth rate of the thermal size and, hence, its mobility. It is shown that the enhancement of the entrainment of the medium due to the interaction between the thermal and the cross flow can lead to a significant decrease in the mobility of the thermal.

Dilepton production from hot hadronic matter in nonequilibrium

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

Schenke, B.; Greiner, C.

2006-03-15

The influence of time-dependent medium modifications of low-mass vector mesons on dilepton production is investigated within a nonequilibrium quantum field-theoretical description on the basis of the Kadanoff-Baym equations. Time scales for the adaption of the spectral properties to changing self-energies are given, and, under use of a model for the fireball evolution, nonequilibrium dilepton yields from the decay of {rho} and {omega} mesons are calculated. In a comparison of these yields, those from calculations that assume instantaneous (Markovian) adaption to the changing-medium quantum-mechanical memory effects turn out to be important.

Fokker-Planck description of electron and photon transport in homogeneous media

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

Akcasu, A.Z.; Holloway, J.P.

1997-06-01

Starting from a Fokker-Planck description of particle transport, which is valid when the scattering is forwardly peaked and the energy change in scattering is small, we systematically obtain an approximate diffusionlike equation for the particle density by eliminating the direction variable {bold {cflx {Omega}}} with an elimination scheme based on Zwanzig{close_quote}s projection operator formalism in the interaction representation. The elimination procedure closely follows one described by Grigolini and Marchesoni [in {ital Memory Function Approaches to Stochastic Problems in Condensed Matter}, edited by Myron W. Evans, Paolo Grigolini, and Guiseppe P. Parravicini, Advances in Physical Chemistry, Vol. 62 (Wiley-Interscience, New York,more » 1985), Chap. II, p. 29], but with a different projection operator. The resulting diffusion equation is correct up to the second order in the coupling operator between the particle direction and position variable. The diffusion coefficients and mobility in the resulting diffusion equation depend on the initial distribution of the particles in direction and on the path length traveled by the particles. The full solution is obtained for a monoenergetic and monodirectional pulsed point source of particles in an infinite homogeneous medium. This solution is used to study the penetration and the transverse and longitudinal spread of the particles as they are transported through the medium. Application to diffusive wave spectroscopy in calculating the path-length distribution of photons, as well as application to dose calculations in tissue due to an electron beam are mentioned. {copyright} {ital 1997} {ital The American Physical Society}« less

Broad-band emission properties of central engine powered supernova ejecta interacting with a circumstellar medium

NASA Astrophysics Data System (ADS)

Suzuki, Akihiro; Maeda, Keiichi

2018-04-01

We investigate broad-band emission from supernova ejecta powered by a relativistic wind from a central compact object. A recent two-dimensional hydrodynamic simulation studying the dynamical evolution of supernova ejecta with a central energy source has revealed that outermost layers of the ejecta are accelerated to mildly relativistic velocities because of the breakout of a hot bubble driven by the energy injection. The outermost layers decelerate as they sweep a circumstellar medium surrounding the ejecta, leading to the formation of the forward and reverse shocks propagating in the circumstellar medium and the ejecta. While the ejecta continue to release the internal energy as thermal emission from the photosphere, the energy dissipation at the forward and reverse shock fronts gives rise to non-thermal emission. We calculate light curves and spectral energy distributions of thermal and non-thermal emission from central engine powered supernova ejecta embedded in a steady stellar wind with typical mass loss rates for massive stars. The light curves are compared with currently available radio and X-ray observations of hydrogen-poor superluminous supernovae, as well as the two well-studied broad-lined Ic supernovae, 1998bw and 2009bb, which exhibit bright radio emission indicating central engine activities. We point out that upper limits on radio luminosities of nearby superluminous supernovae may indicate the injected energy is mainly converted to thermal radiation rather than creating mildly relativistic flows owing to photon diffusion time scales comparable to the injection time scale.

Shear-induced reaction-limited aggregation kinetics of Brownian particles at arbitrary concentrations

NASA Astrophysics Data System (ADS)

Zaccone, Alessio; Gentili, Daniele; Wu, Hua; Morbidelli, Massimo

2010-04-01

The aggregation of interacting Brownian particles in sheared concentrated suspensions is an important issue in colloid and soft matter science per se. Also, it serves as a model to understand biochemical reactions occurring in vivo where both crowding and shear play an important role. We present an effective medium approach within the Smoluchowski equation with shear which allows one to calculate the encounter kinetics through a potential barrier under shear at arbitrary colloid concentrations. Experiments on a model colloidal system in simple shear flow support the validity of the model in the concentration range considered. By generalizing Kramers' rate theory to the presence of shear and collective hydrodynamics, our model explains the significant increase in the shear-induced reaction-limited aggregation kinetics upon increasing the colloid concentration.

Decoupling the refractive index from the electrical properties of transparent conducting oxides via periodic superlattices

PubMed Central

Caffrey, David; Norton, Emma; Coileáin, Cormac Ó; Smith, Christopher M.; Bulfin, Brendan; Farrell, Leo; Shvets, Igor V.; Fleischer, Karsten

2016-01-01

We demonstrate an alternative approach to tuning the refractive index of materials. Current methodologies for tuning the refractive index of a material often result in undesirable changes to the structural or optoelectronic properties. By artificially layering a transparent conducting oxide with a lower refractive index material the overall film retains a desirable conductivity and mobility while acting optically as an effective medium with a modified refractive index. Calculations indicate that, with our refractive index change of 0.2, a significant reduction of reflective losses could be obtained by the utilisation of these structures in optoelectronic devices. Beyond this, periodic superlattice structures present a solution to decouple physical properties where the underlying electronic interaction is governed by different length scales. PMID:27623228

Relativistic direct Urca processes in cooling neutron stars

NASA Astrophysics Data System (ADS)

Leinson, L. B.; Pérez, A.

2001-10-01

We derive a relativistic expression for neutrino energy losses caused by the direct Urca processes in degenerate baryon matter of neutron stars. We use two different ways to calculate the emissivity caused by the reactions to our interest. First we perform a standard calculation by Fermi's ``golden'' rule. The second calculation, resulting in the same expression, is performed with the aid of polarization functions of the medium. Our result for neutrino energy losses strongly differs from previous nonrelativistic results. We also discuss nonconservation of the baryon vector current in reactions through weak charged currents in the medium, when the asymmetry between protons and neutrons is considered. The above effects, not discussed in the literature before, substantially modify the polarization functions responsible for the induced weak charged currents in baryon matter.

The calculating study of the moisture transfer influence at the temperature field in a porous wet medium with internal heat sources

NASA Astrophysics Data System (ADS)

Kuzevanov, V. S.; Garyaev, A. B.; Zakozhurnikova, G. S.; Zakozhurnikov, S. S.

2017-11-01

A porous wet medium with solid and gaseous components, with distributed or localized heat sources was considered. The regimes of temperature changes at the heating at various initial material moisture were studied. Mathematical model was developed applied to the investigated wet porous multicomponent medium with internal heat sources, taking into account the transfer of the heat by heat conductivity with variable thermal parameters and porosity, heat transfer by radiation, chemical reactions, drying and moistening of solids, heat and mass transfer of volatile products of chemical reactions by flows filtration, transfer of moisture. The algorithm of numerical calculation and the computer program that implements the proposed mathematical model, allowing to study the dynamics of warming up at a local or distributed heat release, in particular the impact of the transfer of moisture in the medium on the temperature field were created. Graphs of temperature change were obtained at different points of the graphics with different initial moisture. Conclusions about the possible control of the regimes of heating a solid porous body by the initial moisture distribution were made.

Estimation of Random Medium Parameters from 2D Post-Stack Seismic Data and Its Application in Seismic Inversion

NASA Astrophysics Data System (ADS)

Yang, X.; Zhu, P.; Gu, Y.; Xu, Z.

2015-12-01

Small scale heterogeneities of subsurface medium can be characterized conveniently and effectively using a few simple random medium parameters (RMP), such as autocorrelation length, angle and roughness factor, etc. The estimation of these parameters is significant in both oil reservoir prediction and metallic mine exploration. Poor accuracy and low stability existed in current estimation approaches limit the application of random medium theory in seismic exploration. This study focuses on improving the accuracy and stability of RMP estimation from post-stacked seismic data and its application in the seismic inversion. Experiment and theory analysis indicate that, although the autocorrelation of random medium is related to those of corresponding post-stacked seismic data, the relationship is obviously affected by the seismic dominant frequency, the autocorrelation length, roughness factor and so on. Also the error of calculation of autocorrelation in the case of finite and discrete model decreases the accuracy. In order to improve the precision of estimation of RMP, we design two improved approaches. Firstly, we apply region growing algorithm, which often used in image processing, to reduce the influence of noise in the autocorrelation calculated by the power spectrum method. Secondly, the orientation of autocorrelation is used as a new constraint in the estimation algorithm. The numerical experiments proved that it is feasible. In addition, in post-stack seismic inversion of random medium, the estimated RMP may be used to constrain inverse procedure and to construct the initial model. The experiment results indicate that taking inversed model as random medium and using relatively accurate estimated RMP to construct initial model can get better inversion result, which contained more details conformed to the actual underground medium.

Polarization of fast particle beams by collisional pumping

DOEpatents

Stearns, J.W.; Kaplan, S.N.; Pyle, R.V.; Anderson, L.W.; Schlachter, A.S.; Ruby, L.

1984-10-19

The invention relates to method and apparatus for polarizing a fast beam of particles by collisional pumping, including generating a fast beam of particles, and generating a thick electron-spin-polarized medium positioned as a target for said beam, said medium being sufficiently thick to allow said beam to interact with said medium to produce collisional pumping whereby said particle beam becomes highly polarized.

Intentional formation of a protein corona on nanoparticles: Serum concentration affects protein corona mass, surface charge, and nanoparticle-cell interaction.

PubMed

Gräfe, Christine; Weidner, Andreas; Lühe, Moritz V D; Bergemann, Christian; Schacher, Felix H; Clement, Joachim H; Dutz, Silvio

2016-06-01

The protein corona, which immediately is formed after contact of nanoparticles and biological systems, plays a crucial role for the biological fate of nanoparticles. In the here presented study we describe a strategy to control the amount of corona proteins which bind on particle surface and the impact of such a protein corona on particle-cell interactions. For corona formation, polyethyleneimine (PEI) coated magnetic nanoparticles (MNP) were incubated in a medium consisting of fetal calf serum (FCS) and cell culture medium. To modulate the amount of proteins bind to particles, the composition of the incubation medium was varied with regard to the FCS content. The protein corona mass was estimated and the size distribution of the participating proteins was determined by means of sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE). Additionally, the zeta potential of incubated particles was measured. Human blood-brain barrier-representing cell line HBMEC was used for in vitro incubation experiments. To investigate the consequences of the FCS dependent protein corona formation on the interaction of MNP and cells flow cytometry and laser scanning microscopy were used. Zeta potential as well as SDS-PAGE clearly reveal an increase in the amount of corona proteins on MNP with increasing amount of FCS in incubation medium. For MNP incubated with lower FCS concentrations especially medium-sized proteins of molecular weights between 30kDa and 100kDa could be found within the protein corona, whereas for MNP incubated within higher FCS concentrations the fraction of corona proteins of 30kDa and less increased. The presence of the protein corona reduces the interaction of PEI-coated MNP with HBMEC cells within a 30min-incubation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Quark Matter and Nuclear Collisions a Brief History of Strong Interaction Thermodynamics

NASA Astrophysics Data System (ADS)

Satz, Helmut

2012-08-01

The past 50 years have seen the emergence of a new field of research in physics, the study of matter at extreme temperatures and densities. The theory of strong interactions, quantum chromodynamics (QCD), predicts that in this limit, matter will become a plasma of deconfined quarks and gluons — the medium which made up the early universe in the first 10 microseconds after the Big Bang. High energy nuclear collisions are expected to produce short-lived bubbles of such a medium in the laboratory. I survey the merger of statistical QCD and nuclear collision studies for the analysis of strongly interacting matter in theory and experiment.

Optical absorption in disordered monolayer molybdenum disulfide

NASA Astrophysics Data System (ADS)

Ekuma, C. E.; Gunlycke, D.

2018-05-01

We explore the combined impact of sulfur vacancies and electronic interactions on the optical properties of monolayer MoS2. First, we present a generalized Anderson-Hubbard Hamiltonian that accounts for both randomly distributed sulfur vacancies and the presence of dielectric screening within the material. Second, we parametrize this energy-dependent Hamiltonian from first-principles calculations based on density functional theory and the Green's function and screened Coulomb (GW) method. Third, we apply a first-principles-based many-body typical medium method to determine the single-particle electronic structure. Fourth, we solve the Bethe-Salpeter equation to obtain the charge susceptibility χ with its imaginary part being related to the absorbance A . Our results show that an increased vacancy concentration leads to decreased absorption both in the band continuum and from exciton states within the band gap. We also observe increased absorption below the band-gap threshold and present an expression, which describes Lifshitz tails, in excellent qualitative agreement with our numerical calculations. This latter increased absorption in the 1.0 -2.5 eV range makes defect engineering of potential interest for solar cell applications.

Quantum-mechanical elaboration for the description of low- and high-order harmonics generated by extended gas media: prospects to the efficiency enhancement in spatially modulated media

NASA Astrophysics Data System (ADS)

Stremoukhov, Sergey Yu; Andreev, Anatoly V.

2018-03-01

A simple model fully matching the description of the low- and high-order harmonic generation in extended media interacting with multicolor laser fields is proposed. The extended atomic media is modeled by a 1D chain of atoms, the number of atoms and the distance between them depend on the pressure of the gas and the length of the gas cell. The response of the individual atoms is calculated accurately in the frame of the non-perturbative theory where the driving field for each atom is calculated with account of dispersion properties of any multicolor field component. In spite of the simplicity of the proposed model it provides the detailed description of behaviour of harmonic spectra under variation of the gas pressure and medium length, it also predicts a scaling law for harmonic generation (an invariant). To demonstrate the wide range of applications of the model we have simulated the results of recent experiments dealing with spatially modulated media and obtained good coincidence between the numerical results and the experimental ones.

Study of in-medium {\\eta }^{\\prime} properties in the (γ, \\eta ^{\\prime} p) reaction on nuclei

NASA Astrophysics Data System (ADS)

Paryev, E. Ya

2016-01-01

We study the near-threshold photoproduction of {η }\\prime mesons from nuclei in coincidence with forward going protons in the kinematical conditions of the Crystal Barrel/TAPS experiment, recently performed at ELSA. The calculations have been performed within a collision model based on the nuclear spectral function. The model accounts for both the primary γ p\\to η \\prime p process and the two-step intermediate nucleon rescattering processes as well as the effect of the nuclear η \\prime mean-field potential. We calculate the exclusive η \\prime kinetic energy distributions for the 12C(γ, η \\prime p) reaction for different scenarios of η \\prime in-medium modification. We find that the considered two-step rescattering mechanism plays an insignificant role in η \\prime p photoproduction off the carbon target. We also demonstrate that the calculated η \\prime kinetic energy distributions in primary photon-proton η \\prime p production reveal strong sensitivity to the depth of the real η \\prime potential at normal nuclear matter density (or to the η \\prime in-medium mass shift) in the studied incident photon energy regime. Therefore, such observables may be useful to help determine the above η \\prime in-medium renormalization from the comparison of the results of our calculations with the data from the CBELSA/TAPS experiment. In addition, we show that these distributions are also strongly influenced by the momentum-dependent optical potential, which the outgoing participant proton feels inside the carbon nucleus. This potential should be taken into account in the analysis of these data with the aim to obtain information on the η \\prime modification in cold nuclear matter.

Rayleigh and Wood anomalies in the diffraction of acoustic waves from the periodically corrugated surface of an elastic medium

NASA Astrophysics Data System (ADS)

Maradudin, A. A.; Simonsen, I.

2016-05-01

By the use of the Rayleigh method we have calculated the angular dependence of the reflectivity and the efficiencies of several other diffracted orders when the periodically corrugated surface of an isotropic elastic medium is illuminated by a volume acoustic wave of shear horizontal polarization. These dependencies display the signatures of Rayleigh and Wood anomalies, usually associated with the diffraction of light from a metallic grating. The Rayleigh anomalies occur at angles of incidence at which a diffracted order appears or disappears; the Wood anomalies here are caused by the excitation of the shear horizontal surface acoustic waves supported by the periodically corrugated surface of an isotropic elastic medium. The dispersion curves of these waves in both the nonradiative and radiative regions of the frequency-wavenumber plane are calculated, and used in predicting the angles of incidence at which the Wood anomalies are expected to occur.

Low-frequency Carbon Radio Recombination Lines. II. The Diffuse Interstellar Medium

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

Salgado, F.; Morabito, L. K.; Oonk, J. B. R.

In the second paper of the series, we have modeled low-frequency carbon radio recombination lines (CRRLs) from the interstellar medium. Anticipating the Low Frequency Array survey of Galactic CRRLs, we focus our study on the physical conditions of the diffuse, cold neutral medium. We have used the improved departure coefficients computed in the first paper of the series to calculate line-to-continuum ratios. The results show that the line width and integrated optical depths of CRRLs are sensitive probes of the electron density, gas temperature, and emission measure of the cloud. Furthermore, the ratio of CRRL to the [C ii] atmore » the 158 μ m line is a strong function of the temperature and density of diffuse clouds. Guided by our calculations, we analyze CRRL observations and illustrate their use with data from the literature.« less

Dose specification for 192Ir high dose rate brachytherapy in terms of dose-to-water-in-medium and dose-to-medium-in-medium

NASA Astrophysics Data System (ADS)

Paiva Fonseca, Gabriel; Carlsson Tedgren, Åsa; Reniers, Brigitte; Nilsson, Josef; Persson, Maria; Yoriyaz, Hélio; Verhaegen, Frank

2015-06-01

Dose calculation in high dose rate brachytherapy with 192Ir is usually based on the TG-43U1 protocol where all media are considered to be water. Several dose calculation algorithms have been developed that are capable of handling heterogeneities with two possibilities to report dose: dose-to-medium-in-medium (Dm,m) and dose-to-water-in-medium (Dw,m). The relation between Dm,m and Dw,m for 192Ir is the main goal of this study, in particular the dependence of Dw,m on the dose calculation approach using either large cavity theory (LCT) or small cavity theory (SCT). A head and neck case was selected due to the presence of media with a large range of atomic numbers relevant to tissues and mass densities such as air, soft tissues and bone interfaces. This case was simulated using a Monte Carlo (MC) code to score: Dm,m, Dw,m (LCT), mean photon energy and photon fluence. Dw,m (SCT) was derived from MC simulations using the ratio between the unrestricted collisional stopping power of the actual medium and water. Differences between Dm,m and Dw,m (SCT or LCT) can be negligible (<1%) for some tissues e.g. muscle and significant for other tissues with differences of up to 14% for bone. Using SCT or LCT approaches leads to differences between Dw,m (SCT) and Dw,m (LCT) up to 29% for bone and 36% for teeth. The mean photon energy distribution ranges from 222 keV up to 356 keV. However, results obtained using mean photon energies are not equivalent to the ones obtained using the full, local photon spectrum. This work concludes that it is essential that brachytherapy studies clearly report the dose quantity. It further shows that while differences between Dm,m and Dw,m (SCT) mainly depend on tissue type, differences between Dm,m and Dw,m (LCT) are, in addition, significantly dependent on the local photon energy fluence spectrum which varies with distance to implanted sources.

Ethical Issues in Providing Online Psychotherapeutic Interventions

PubMed Central

2000-01-01

The Internet offers psychotherapists a new communication medium through which they can deliver psychotherapeutic interventions that are appropriate to the medium. Yet online psychotherapy also offers new ethical challenges for therapists interested in providing online psychotherapeutic services. The differences between interactive text-based communication and in-person verbal communication create new ethical challenges not previously encountered in face-to-face therapy. This article will examine the Internet's potential for providing online psychotherapeutic interventions and will review the ethical issues involved with providing interactive text-based psychotherapy. PMID:11720924

Systematic Analysis on the Environment of Innovative Small and Medium Enterprises

NASA Astrophysics Data System (ADS)

Guo, Tao; Shi, Zhuqing

Environment has great influence on the growth of Innovative SMEs(small and medium enterprises), and Such enterprises has special requirements to growth environment. The ecological factors of Innovative SMEs growth environment include policy and law, social culture, finance, science and technology, market, service, and nature which get together with interactive and interrelated. Innovative SMEs depend on the environment; at the same time react to the environment, so as to achieve sustained innovation and healthy growth in the process of interaction with ecological environment.

The Dynamics of a Five-level (Double Λ)-type Atom Interacting with Two-mode Field in a Cross Kerr-like Medium

NASA Astrophysics Data System (ADS)

Obada, A.-S. F.; Ahmed, M. M. A.; Farouk, Ahmed M.

2018-04-01

In this paper, we propose a new transition scheme (Double Λ) for the interaction between a five-level atom and an electromagnetic field and study its dynamics in the presence of a cross Kerr-like medium in the exact-resonance case. The wave function is derived when the atom is initially prepared in its upper most state, and the field is initially prepared in the coherent state. We studied the atomic population inversion, the coherence degree by studying the second-order correlation function, Cauchy-Schwartz inequality (CSI) and the relation with P-function. Finally, we investigate the effect of Kerr-like medium on the evolution of Husimi Q-function of the considered system.

Effects of age on associating virtual and embodied toys.

PubMed

Okita, Sandra Y

2004-08-01

Technologies such as videos, toys, and video games are used as tools in delivering education to young children. Do children spontaneously transfer between virtual and real-world mediums as they learn? Fifty-six children learned facts about a toy dog presented through varying levels of technology and interactivity (e.g., video game, stuffed animal, picture books). They then met a similar dog character in a new embodiment (e.g., as a stuffed animal if first met the dog as video character). Would children spontaneously generalize the facts they learned about the dog character across mediums (dynamic and static environments)? Results indicate that younger children were more likely to generalize facts across mediums. Specific aspects of the level of technology and interactivity had little effect.

Non-perturbative Approach to Equation of State and Collective Modes of the QGP

NASA Astrophysics Data System (ADS)

Liu, Y. F. Shuai; Rappxs, Ralf

2018-01-01

We discuss a non-perturbative T-matrix approach to investigate the microscopic structure of the quark-gluon plasma (QGP). Utilizing an effective Hamiltonian which includes both light- and heavy-parton degrees of freedoms. The basic two-body interaction includes color-Coulomb and confining contributions in all available color channels, and is constrained by lattice-QCD data for the heavy-quark free energy. The in-medium T-matrices and parton spectral functions are computed selfconsistently with full account of off-shell properties encoded in large scattering widths. We apply the T-matrices to calculate the equation of state (EoS) for the QGP, including a ladder resummation of the Luttinger-Ward functional using a matrix-log technique to account for the dynamical formation of bound states. It turns out that the latter become the dominant degrees of freedom in the EoS at low QGP temperatures indicating a transition from parton to hadron degrees of freedom. The calculated spectral properties of one- and two-body states confirm this picture, where large parton scattering rates dissolve the parton quasiparticle structures while broad resonances start to form as the pseudocritical temperature is approached from above. Further calculations of transport coefficients reveal a small viscosity and heavy-quark diffusion coefficient.

Numerical calculation of nonlinear ultrashort laser pulse propagation in transparent Kerr media

NASA Astrophysics Data System (ADS)

Arnold, Cord L.; Heisterkamp, Alexander; Ertmer, Wolfgang; Lubatschowski, Holger

2005-03-01

In the focal region of tightly focused ultrashort laser pulses, sufficient high intensities to initialize nonlinear ionization processes are easily achieved. Due to these nonlinear ionization processes, mainly multiphoton ionization and cascade ionization, free electrons are generated in the focus resulting in optical breakdown. A model including both nonlinear pulse propagation and plasma generation is used to calculate numerically the interaction of ultrashort pulses with their self-induced plasma in the vicinity of the focus. The model is based on a (3+1)-dimensional nonlinear Schroedinger equation describing the pulse propagation coupled to a system of rate equations covering the generation of free electrons. It is applicable to any transparent Kerr medium, whose linear and nonlinear optical parameters are known. Numerical calculations based on this model are used to understand nonlinear side effects, such as streak formation, occurring in addition to optical breakdown during short pulse refractive eye surgeries like fs-LASIK. Since the optical parameters of water are a good first-order approximation to those of corneal tissue, water is used as model substance. The free electron density distribution induced by focused ultrashort pulses as well as the pulses spatio-temporal behavior are studied in the low-power regime around the critical power for self-focusing.

Modeling Chemical Growth Processes in Titan's Atmosphere: 1. Theoretical Rates for Reactions between Benzene and the Ethynyl (C2H) and Cyano (CN) Radicals at Low Temperature and Pressure

NASA Technical Reports Server (NTRS)

Woon, David E.

2006-01-01

Density functional theory calculations at the B3LYP/6-31+G** level were employed to characterize the critical points for adducts, isomers, products, and intervening transition states for the reactions between benzene and the ethynyl (C2H) or cyano (CN) radicals. Both addition reactions were found to have no barriers in their entrance channels, making them efficient at the low temperature and pressure conditions that prevail in the haze-forming region of Titan's atmosphere as well as in the dense interstellar medium (ISM). The dominant products are ethynylbenzene (C6H5C2H) and cyanobenzene (C6H5CN). Hydrogen abstraction reactions were also characterized but found to be non-competitive. Trajectory calculations based on potentials fit to about 600 points calculated at the ROMP2/6-31+G** level for each interaction surface were used to determine reaction rates. The rates incorporated any necessary corrections for back reactions as ascertained from a multiwell treatment used to determine outcome distributions over the range of temperatures and pressures pertinent to Titan and the ISM and are in good agreement with the limited available experimental data.

No-core configuration-interaction model for the isospin- and angular-momentum-projected states

NASA Astrophysics Data System (ADS)

Satuła, W.; Båczyk, P.; Dobaczewski, J.; Konieczka, M.

2016-08-01

Background: Single-reference density functional theory is very successful in reproducing bulk nuclear properties like binding energies, radii, or quadrupole moments throughout the entire periodic table. Its extension to the multireference level allows for restoring symmetries and, in turn, for calculating transition rates. Purpose: We propose a new variant of the no-core-configuration-interaction (NCCI) model treating properly isospin and rotational symmetries. The model is applicable to any nucleus irrespective of its mass and neutron- and proton-number parity. It properly includes polarization effects caused by an interplay between the long- and short-range forces acting in the atomic nucleus. Methods: The method is based on solving the Hill-Wheeler-Griffin equation within a model space built of linearly dependent states having good angular momentum and properly treated isobaric spin. The states are generated by means of the isospin and angular-momentum projection applied to a set of low-lying (multi)particle-(multi)hole deformed Slater determinants calculated using the self-consistent Skyrme-Hartree-Fock approach. Results: The theory is applied to calculate energy spectra in N ≈Z nuclei that are relevant from the point of view of a study of superallowed Fermi β decays. In particular, a new set of the isospin-symmetry-breaking corrections to these decays is given. Conclusions: It is demonstrated that the NCCI model is capable of capturing main features of low-lying energy spectra in light and medium-mass nuclei using relatively small model space and without any local readjustment of its low-energy coupling constants. Its flexibility and a range of applicability makes it an interesting alternative to the conventional nuclear shell model.

Effective interactions and dynamics of small passive particles in an active bacterial medium

NASA Astrophysics Data System (ADS)

Semeraro, Enrico F.; Devos, Juliette M.; Narayanan, Theyencheri

2018-05-01

This article presents an investigation of the interparticle interactions and dynamics of submicron silica colloids suspended in a bath of motile Escherichia coli bacteria. The colloidal microstructure and dynamics were probed by ultra-small-angle x-ray scattering and multi-speckles x-ray photon correlation spectroscopy, respectively. Both static and hydrodynamic interactions were obtained for different colloid volume fractions and bacteria concentrations as well as when the interparticle interaction potential was modified by the motility buffer. Results suggest that motile bacteria reduce the effective attractive interactions between passive colloids and enhance their dynamics at high colloid volume fractions. The enhanced dynamics under different static interparticle interactions can be rationalized in terms of an effective viscosity of the medium and unified by means of an empirical effective temperature of the system. While the influence of swimming bacteria on the colloid dynamics is significantly lower for small particles, the role of motility buffer on the static and dynamic interactions becomes more pronounced.

Supporting Learning through the Use of Self-Reflection Blogs: A Study of the Experience of Blended Learning Students in the United Arab Emirates

ERIC Educational Resources Information Center

Isakovic, Adrienne A.; McNaught, Allan

2013-01-01

This exploratory study seeks to examine how the use of student-written blogs support student learning through the student perspective. The blogs were introduced to provide support in four distinct areas: as a medium for facilitating learning; as a medium for interactivity; as a medium for metacognitive thought and reflection; and as a learning…

Extraction of In-Medium Nucleon-Nucleon Amplitude From Experiment

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Cucinotta, Francis A.; Wilson, John W.

1998-01-01

The in-medium nucleon-nucleon amplitudes are extracted from the available proton-nucleus total reaction cross sections data. The retrieval of the information from the experiment makes the estimate of reaction cross sections very reliable. Simple expressions are given for the in-medium nucleon-nucleon amplitudes for any system of colliding nuclei as a function of energy. Excellent agreement with experimental observations is demonstrated in the ion-nucleus interactions.

Permeability of model porous medium formed by random discs

NASA Astrophysics Data System (ADS)

Gubaidullin, A. A.; Gubkin, A. S.; Igoshin, D. E.; Ignatev, P. A.

2018-03-01

Two-dimension model of the porous medium with skeleton of randomly located overlapping discs is proposed. The geometry and computational grid are built in open package Salome. Flow of Newtonian liquid in longitudinal and transverse directions is calculated and its flow rate is defined. The numerical solution of the Navier-Stokes equations for a given pressure drop at the boundaries of the area is realized in the open package OpenFOAM. Calculated value of flow rate is used for defining of permeability coefficient on the base of Darcy law. For evaluating of representativeness of computational domain the permeability coefficients in longitudinal and transverse directions are compered.

Evaluation of thermal effects on the beam quality of disk laser with unstable resonator

NASA Astrophysics Data System (ADS)

Shayganmanesh, Mahdi; Beirami, Reza

2017-01-01

In this paper thermal effects of the disk active medium and associated effects on the beam quality of laser are investigated. Using Collins integral and iterative method, transverse mode of an unstable resonator including a Yb:YAG active medium in disk geometry is calculated. After that the beam quality of the laser is calculated based on the generalized beam characterization method. Thermal lensing of the disk is calculated based on the OPD (Optical Path Difference) concept. Five factors influencing the OPD including temperature gradient, disk thermal expansion, photo-elastic effect, electronic lens and disk deformation are considered in our calculations. The calculations show that the effect of disk deformation factor on the quality of laser beam in the resonator is strong. However the total effect of all the thermal factors on the internal beam quality is fewer. Also it is shown that thermal effects degrade the output power, beam profile and beam quality of the output laser beam severely. As well the magnitude of each of affecting factors is evaluated distinctly.

Combined EXAFS and DFT Structure Calculations Provide Structural Insights into the 1:1 Multi-Histidine Complexes of CuII, CuI and ZnII with the Tandem Octarepeats of the Mammalian Prion Protein

PubMed Central

Pushie, M. Jake; Nienaber, Kurt H.; McDonald, Alex; Millhauser, Glenn L.; George, Graham N.

2014-01-01

The metal coordinating properties of the prion protein (PrP) have been the subject of intense focus and debate since the first reports of copper interaction with PrP just before the turn of the century. The picture of metal coordination to PrP has been improved and refined over the past decade, and yet the structural details of the various metal coordination modes have not been fully elucidated in some cases. Herein we employ X-ray absorption near edge spectroscopy as well as extended X-ray absorption fine structure (EXAFS) spectroscopy to structurally characterize the dominant 1:1 coordination modes for CuII, CuI and ZnII with an N-terminal fragment of PrP. The PrP fragment constitutes four tandem repeats representative of the mammalian octarepeat domain, designated OR4, which is also the most studied PrP fragment for metal interactions, making our findings applicable to a large body of previous work. Density functional theory (DFT) calculations provide additional structural and thermodynamic data, and candidate structures are used to inform EXAFS data analysis. The optimized geometries from DFT calculations are used to identify potential coordination complexes for multi-histidine coordination of CuII, CuI and ZnII in an aqueous medium, modeled using 4-methylimidazole to represent the histidine side chain. Through a combination of in silico coordination chemistry as well as rigorous EXAFS curve fitting, using full multiple scattering on candidate structures from DFT calculations, we have characterized the predominant coordination modes for the 1:1 complexes of CuII, CuI and ZnII with the OR4 peptide at pH 7.4 at atomic resolution, which are best represented as a square planar [CuII(His)4]2+, digonal [CuI(His)2]+ and tetrahedral [ZnII(His)3(OH2)]2+, respectively. PMID:25042361

Observation of three-photon bound states in a quantum nonlinear medium

NASA Astrophysics Data System (ADS)

Liang, Qi-Yu; Venkatramani, Aditya V.; Cantu, Sergio H.; Nicholson, Travis L.; Gullans, Michael J.; Gorshkov, Alexey V.; Thompson, Jeff D.; Chin, Cheng; Lukin, Mikhail D.; Vuletić, Vladan

2018-02-01

Bound states of massive particles, such as nuclei, atoms, or molecules, constitute the bulk of the visible world around us. By contrast, photons typically only interact weakly. We report the observation of traveling three-photon bound states in a quantum nonlinear medium where the interactions between photons are mediated by atomic Rydberg states. Photon correlation and conditional phase measurements reveal the distinct bunching and phase features associated with three-photon and two-photon bound states. Such photonic trimers and dimers possess shape-preserving wave functions that depend on the constituent photon number. The observed bunching and strongly nonlinear optical phase are described by an effective field theory of Rydberg-induced photon-photon interactions. These observations demonstrate the ability to realize and control strongly interacting quantum many-body states of light.

Examination of the 22C radius determination with interaction cross sections

NASA Astrophysics Data System (ADS)

Nagahisa, T.; Horiuchi, W.

2018-05-01

A nuclear radius of 22C is investigated with the total reaction cross sections at medium- to high-incident energies in order to resolve the radius puzzle in which two recent interaction cross-section measurements using 1H and 12C targets show the quite different radii. The cross sections of 22C are calculated consistently for these target nuclei within a reliable microscopic framework, the Glauber theory. To describe appropriately such a reaction involving a spatially extended nucleus, the multiple scattering processes within the Glauber theory are fully taken into account, that is, the multidimensional integration in the Glauber amplitude is evaluated using a Monte Carlo technique without recourse to the optical-limit approximation. We discuss the sensitivity of the spatially extended halo tail to the total reaction cross sections. The root-mean-square matter radius obtained in this study is consistent with that extracted from the recent cross-section measurement on 12C target. We show that the simultaneous reproduction of the two recent measured cross sections is not feasible within this framework.

Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effect

PubMed Central

Silla, Josué M; Duarte, Claudimar J; Cormanich, Rodrigo A; Rittner, Roberto

2014-01-01

Summary The gauche effect in fluorinated alkylammonium salts is well known and attributed either to an intramolecular hydrogen bond or to an electrostatic attraction between the positively charged nitrogen and the vicinal electronegative fluorine atom. This work reports the effect of adding a fluorine atom in 2-fluoroethylamine hydrochloride on the conformational isomerism of the resulting 2,2-difluoroethylamine chloride (2). The analysis was carried out using NMR coupling constants in D2O solution, in order to mimic the equilibrium conditions in a physiological medium, in the gas phase and in implicit water through theoretical calculations. Despite the presence of σCH→σ*CF and σCH→σ*CN interactions, which usually rule the hyperconjugative gauche effect in 1,2-disubstituted ethanes, the most important forces leading to the double gauche effect (+NH3 in the gauche relationship with both fluorine atoms) in 2 are the Lewis-type ones. Particularly, electrostatic interactions are operative even in water solution, where they should be significantly attenuated, whereas hyperconjugation and hydrogen bond have secondary importance. PMID:24778743

New investigations of the guanine trichloro cuprate(II) complex crystal

NASA Astrophysics Data System (ADS)

Fabijanić, Ivana; Matković-Čalogović, Dubravka; Pilepić, Viktor; Ivanišević, Irena; Mohaček-Grošev, Vlasta; Sanković, Krešimir

2017-01-01

Crystals of the guanine trichloro cuprate(II) complex, (HGua)2[Cu2Cl6]·2H2O (HGua = protonated guanine), were prepared and analysed by spectroscopic (IR, Raman) and computational methods. A new single-crystal X-ray diffraction analysis was conducted to obtain data with lower standard uncertainties than those in the previously published structure. Raman and IR spectroscopy and quantum-mechanical analysis gave us new insight into the vibrational states of the (HGua)2[Cu2Cl6]·2H2O crystal. The vibrational spectra of the crystal were assigned by performing a normal coordinate analysis for a free dimer with a centre of inversion as the only symmetry element. The stretching vibration observed at 279 cm-1 in the infrared spectrum corresponds to the N-Cu bond. The noncovalent interaction (NCI) plots and quantum theory of atoms in molecules (QTAIM) analysis of the electron density obtained from periodic DFT calculations elucidated the interactions that exist within the crystal structure. Closed-shell ionic attractions, as well as weak and medium strength hydrogen bonds, prevailed in the crystal packing.

Vector-boson-tagged jet production in heavy ion collisions at energies available at the CERN Large Hadron Collider [Vector boson-tagged jet production in heavy ion collisions at the LHC

DOE PAGES

Kang, Zhong -Bo; Vitev, Ivan Mateev; Xing, Hongxi

2017-07-25

Here, vector-boson-tagged jet production in collisions of heavy nuclei opens new opportunities to study parton shower formation and propagation in strongly interacting matter. It has been argued to provide a golden channel that can constrain the energy loss of jets in the quark-gluon plasma created in heavy ion reactions. We present theoretical results for isolated-photon-tagged and Z 0-boson-tagged jet production in Pb + Pb collisions with √s NN = 5.02TeV at the LHC. Specifically, we evaluate the transverse momentum imbalance x JV distribution and nuclear modification factor I AA of tagged jets and compare our theoretical calculations to recent experimentalmore » measurements by ATLAS and CMS collaborations. Our analysis, which includes both collisional and radiative energy losses, sheds light on their relative importance versus the strength of jet-medium interactions and helps quantify the amount of out-of-cone radiation of predominantly prompt quark-initiated jets.« less

Nuclear medium effects in muonic neutrino interactions with energies from 0.2 to 1.5 GeV

NASA Astrophysics Data System (ADS)

Vargas, D.; Samana, A. R.; Velasco, F. G.; Hoyos, O. R.; Guzmán, F.; Bernal-Castillo, J. L.; Andrade-II, E.; Perez, R.; Deppman, A.; Barbero, C. A.; Mariano, A. E.

2017-11-01

Nuclear reactions induced by muon neutrinos with energies from 0.2 to 1.5 GeV in the Monte Carlo calculation framework in the intranuclear cascade model are studied. This study was done by comparing the available experimental data and theoretical values of total cross section, and the energy distribution of emitted lepton energy in the reaction muon neutrino nucleus, using the targets 12C, 16O, 27Al, 40Ar, 56Fe, and 208Pb. A phenomenological model of primary neutrino-nucleon interaction gives good agreement between our theoretical inclusive neutrino nucleus cross section and the available experimental data. Some interesting results on the behavior of the cross section as function of 1 p -1 n and higher contributions are also sketched. The previous results on the fraction of fake events in available experiments in 12C were expanded for the set of studied nuclei. With the increase of mass targets, the nuclear effects in the cross sections were observed and the importance of taking into account fake events in the reactions was noted.

Comparative density functional study of the complexes [UO2(CO3)3]4- and [(UO2)3(CO3)6]6- in aqueous solution.

PubMed

Schlosser, Florian; Moskaleva, Lyudmila V; Kremleva, Alena; Krüger, Sven; Rösch, Notker

2010-06-28

With a relativistic all-electron density functional method, we studied two anionic uranium(VI) carbonate complexes that are important for uranium speciation and transport in aqueous medium, the mononuclear tris(carbonato) complex [UO(2)(CO(3))(3)](4-) and the trinuclear hexa(carbonato) complex [(UO(2))(3)(CO(3))(6)](6-). Focusing on the structures in solution, we applied for the first time a full solvation treatment to these complexes. We approximated short-range effects by explicit aqua ligands and described long-range electrostatic interactions via a polarizable continuum model. Structures and vibrational frequencies of "gas-phase" models with explicit aqua ligands agree best with experiment. This is accidental because the continuum model of the solvent to some extent overestimates the electrostatic interactions of these highly anionic systems with the bulk solvent. The calculated free energy change when three mono-nuclear complexes associate to the trinuclear complex, agrees well with experiment and supports the formation of the latter species upon acidification of a uranyl carbonate solution.

Interharmonic modulation products as a means to quantify nonlinear D-region interactions

NASA Astrophysics Data System (ADS)

Moore, Robert

Experimental observations performed during dual beam ionospheric HF heating experiments at the High frequency Active Auroral Research Program (HAARP) HF transmitter in Gakona, Alaska are used to quantify the relative importance of specific nonlinear interactions that occur within the D region ionosphere. During these experiments, HAARP broadcast two amplitude modulated HF beams whose center frequencies were separated by less than 20 kHz. One beam was sinusoidally modulated at 500 Hz while the second beam was sinusoidally modulated using a 1-7 kHz linear frequency-time chirp. ELF/VLF observations performed at two different locations (3 and 98 km from HAARP) provide clear evidence of strong interactions between all field components of the two HF beams in the form of low and high order interharmonic modulation products. From a theoretical standpoint, the observed interharmonic modulation products could be produced by several different nonlinearities. The two primary nonlinearities take the form of wave-medium interactions (i.e., cross modulation), wherein the ionospheric conductivity modulation produced by one signal crosses onto the other signal via collision frequency modification, and wave-wave interactions, wherein the conduction current associated with one wave mixes with the electric field of the other wave to produce electron temperature oscillations. We are able to separate and quantify these two different nonlinearities, and we conclude that the wave-wave interactions dominate the wave-medium interactions by a factor of two. These results are of great importance for the modeling of transioinospheric radio wave propagation, in that both the wave-wave and the wave-medium interactions could be responsible for a significant amount of anomalous absorption.

The FLUKA code for space applications: recent developments

NASA Technical Reports Server (NTRS)

Andersen, V.; Ballarini, F.; Battistoni, G.; Campanella, M.; Carboni, M.; Cerutti, F.; Empl, A.; Fasso, A.; Ferrari, A.; Gadioli, E.;

Is the dissociation of coronene in stellar winds a source of molecular hydrogen? application to the HD 44179 nebula

NASA Astrophysics Data System (ADS)

Champeaux, J.-P.; Moretto-Capelle, P.; Cafarelli, P.; Deville, C.; Sence, M.; Casta, R.

2014-06-01

The physical interactions of polycyclic aromatic hydrocarbons (PAHs) with stellar particular radiation are key to understanding the life cycle of PAHs, their abundance and their role in the complex astrochemistry of the interstellar medium. In this context, we present experimental results on the ionization/fragmentation of isolated coronene by a 100-keV proton, reproducing interactions between stellar winds and PAH molecules in the star's environment. In particular, we show, without ambiguity, that such ionization/fragmentation induces intense dehydrogenation processes for which the loss of even numbers of hydrogen atoms and the detection of CH_2+ cations as a possible H2 precursor strongly suggest the formation of H2 neutral molecules along a scenario revealed by a quantum chemical calculation. We have evaluated the H2 emission cross-section from the coronene/proton interaction at 100 and 1.6 keV to be 2.97 × 10-16 and 3.3 × 10-16 cm2, respectively. A qualitative discussion on the formation rate of H2 in the HD 44179 Red Rectangle (RR) nebula leads to the conclusion that such processes could be very efficient, especially inside planetary nebulae rich in PAH molecules interacting with high proton mass-loss rate stars (such as post-asymptotic giant branch stars) or high velocity jets produced by an accretion disc.

Rigidity and resistance of larval- and adult schistosomes-medium interface

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

Migliardo, Federica, E-mail: fmigliardo@unime.it; Tallima, Hatem; El Ridi, Rashika

Graphical abstract: - Highlights: • Schistosoma larvae and worms are studied by neutron scattering. • Measurements on larvae were repeated after one day and by increasing temperature. • The flexibility properties of larvae and adult parasites are compared. • The parasite rigidity is related to their resistance to the hostile environment. • Insight into the parasite defense mechanisms to the immune system attack is achieved. - Abstract: Schistosomiasis is second only to malaria in prevalence and severity, and is still a major health problem in many tropical countries worldwide with about 200–300 million cases and with more than 800 millionmore » people at risk of infection. Based on these data, the World Health Organization recommends fostering research efforts for understanding at any level the mechanisms of the infection and then decreasing the social and economical impact of schistosomiasis. A key role is played by the parasite apical lipid membrane, which is entirely impervious to the surrounding elements of the immune system. We have previously demonstrated that the interaction between schistosomes and surrounding medium is governed by a parasite surface membrane sphingomyelin-based hydrogen barrier. In the present article, the elastic contribution to the total motion as a function of the exchanged wave-vector Q and the mean square displacement values for Schistosoma mansoni larvae and worms and Schistosomahaematobium worms have been evaluated by quasi elastic neutron scattering (QENS). The results point out that S. mansoni larvae show a smaller mean square displacement in comparison to S. mansoni and S. haematobium worms. These values increased by repeating the measurements after one day. These differences, which are analogous to those observed for the diffusion coefficient we previously evaluated, are interpreted in terms of rigidity of the parasite-medium interaction. S. mansoni larvae are the most rigid systems, while S. haematobium worms are the most flexible. In addition, temperature and hypoxia induce a weakening of the schistosome-medium interaction. These evidences are related to the strength of the hydrogen-bonded interaction between parasites and environment that we previously determined. We have shown that S. mansoni worms are characterized by a weakened interaction in respect to the larvae, while the S. haematobium worms more weakly interact with the surrounding medium than S. mansoni. The present QENS analysis allowed us to characterize the rigidity of larval- and adult S. mansoni and S. haematobium-host interface and to relate it to the parasite resistance to the hostile elements of the surrounding medium and to the immune effectors attack.« less

Interactions between finite amplitude small and medium-scale waves in the MLT region.

NASA Astrophysics Data System (ADS)

Heale, C. J.; Snively, J. B.

2016-12-01

Small-scale gravity waves can propagate high into the thermosphere and deposit significant momentum and energy into the background flow [e.g., Yamada et al., 2001, Fritts et al., 2014]. However, their propagation, dissipation, and spectral evolution can be significantly altered by other waves and dynamics and the nature of these complex interactions are not yet well understood. While many ray-tracing and time-dependent modeling studies have been performed to investigate interactions between waves of varying scales [e.g., Eckermann and Marks .1996, Sartelet. 2003, Liu et al. 2008, Vanderhoff et al., 2008, Senf and Achatz., 2011, Heale et al., 2015], the majority of these have considered waves of larger (tidal) scales, or have simplified one of the waves to be an imposed "background" and discount (or limit) the nonlinear feedback mechanisms between the two waves. In reality, both waves will influence each other, especially at finite amplitudes when nonlinear effects become important or dominant. We present a study of fully nonlinear interactions between small-scale 10s km, 10 min period) and medium-scale wave packets at finite amplitudes, which include feedback between the two waves and the ambient atmosphere. Time-dependence of the larger-scale wave has been identified as an important factor in reducing reflection [Heale et al., 2015] and critical level effects [Sartelet, 2003, Senf and Achatz, 2011], we choose medium-scale waves of different periods, and thus vertical scales, to investigate how this influences the propagation, filtering, and momentum and energy deposition of the small-scale waves, and in turn how these impacts affect the medium-scale waves. We also consider the observable features of these interactions in the mesosphere and lower thermosphere.

Connection of the solar wind with the interstellar medium through numerical modeling

DOE PAGES

Heerikhuisen, J.; Zirnstein, E.; Kawamura, A. D.; ...

2013-06-13

In this article we investigate the interaction between the solar wind (SW) and the local interstellar medium (LISM) using spacecraft data and numerical simulations. In particular, we focus on neutral atom results from NASA's Interstellar Boundary EXplorer (IBEX) mission, and compare these with implementations of our neutral atom models that look at both the energetic neutral atoms (ENAs) which are created as hydrogen of LISM origin interacts with the heliosphere, as well as the transmission of interstellar Oxygen through the heliospheric interface. Lastly, the goal of this work is to better understand the global structure of the heliosphere and itsmore » interaction with the galaxy.« less

On a neutral particle with permanent magnetic dipole moment in a magnetic medium

NASA Astrophysics Data System (ADS)

Bakke, K.; Salvador, C.

2018-03-01

We investigate quantum effects that stem from the interaction of a permanent magnetic dipole moment of a neutral particle with an electric field in a magnetic medium. We consider a long non-conductor cylinder that possesses a uniform distribution of electric charges and a non-uniform magnetization. We discuss the possibility of achieving this non-uniform magnetization from the experimental point of view. Besides, due to this non-uniform magnetization, the permanent magnetic dipole moment of the neutral particle also interacts with a non-uniform magnetic field. This interaction gives rise to a linear scalar potential. Then, we show that bound states solutions to the Schrödinger-Pauli equation can be achieved.

Electric field tomography for contactless imaging of resistivity in biomedical applications.

PubMed

Korjenevsky, A V

2004-02-01

The technique of contactless imaging of resistivity distribution inside conductive objects, which can be applied in medical diagnostics, has been suggested and analyzed. The method exploits the interaction of a high-frequency electric field with a conductive medium. Unlike electrical impedance tomography, no electric current is injected into the medium from outside. The interaction is accompanied with excitation of high-frequency currents and redistribution of free charges inside the medium leading to strong and irregular perturbation of the field's magnitude outside and inside the object. Along with this the considered interaction also leads to small and regular phase shifts of the field in the area surrounding the object. Measuring these phase shifts using a set of electrodes placed around the object enables us to reconstruct the internal structure of the medium. The basics of this technique, which we name electric field tomography (EFT), are described, simple analytical estimations are made and requirements for measuring equipment are formulated. The realizability of the technique is verified by numerical simulations based on the finite elements method. Results of simulation have confirmed initial estimations and show that in the case of EFT even a comparatively simple filtered backprojection algorithm can be used for reconstructing the static resistivity distribution in biological tissues.

Effect of the medium's density on the hydrocyclonic separation of waste plastics with different densities.

PubMed

Fu, Shuangcheng; Fang, Yong; Yuan, Huixin; Tan, Wanjiang; Dong, Yiwen

2017-09-01

Hydrocyclones can be applied to recycle waste plastics with different densities through separating plastics based on their differences in densities. In the process, the medium density is one of key parameters and the value of the medium's density is not just the average of the density of two kinds of plastics separated. Based on the force analysis and establishing the equation of motion of particles in the hydrocyclone, a formula to calculate the optimum separation medium density has been deduced. This value of the medium's density is a function of various parameters including the diameter, density, radial position and tangential velocity of particles, and viscosity of the medium. Tests on the separation performance of the hydrocyclone has been conducted with PET and PVC particles. The theoretical result appeared to be in good agreement with experimental results. Copyright © 2017 Elsevier Ltd. All rights reserved.

Active microwave remote sensing of an anisotropic random medium layer

NASA Technical Reports Server (NTRS)

Lee, J. K.; Kong, J. A.

1985-01-01

A two-layer anisotropic random medium model has been developed to study the active remote sensing of the earth. The dyadic Green's function for a two-layer anisotropic medium is developed and used in conjunction with the first-order Born approximation to calculate the backscattering coefficients. It is shown that strong cross-polarization occurs in the single scattering process and is indispensable in the interpretation of radar measurements of sea ice at different frequencies, polarizations, and viewing angles. The effects of anisotropy on the angular responses of backscattering coefficients are also illustrated.

Proton-Nucleus Total Cross Sections in Coupled-Channel Approach

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, John W.; Cucinotta, Francis A.

2000-01-01

Recently, nucleon-nucleon (N-N) cross sections in the medium have been extracted directly from experiment. The in-medium N-N cross sections form the basic ingredients of several heavy-ion scattering approaches including the coupled-channel approach developed at the Langley Research Center. In the present study the ratio of the real to the imaginary part of the two-body scattering amplitude in the medium was investigated. These ratios are used in combination with the in-medium N-N cross sections to calculate total proton-nucleus cross sections. The agreement is excellent with the available experimental data. These cross sections are needed for the radiation risk assessment of space missions.

Passive microwave remote sensing of an anisotropic random-medium layer

NASA Technical Reports Server (NTRS)

Lee, J. K.; Kong, J. A.

1985-01-01

The principle of reciprocity is invoked to calculate the brightness temperatures for passive microwave remote sensing of a two-layer anisotropic random medium. The bistatic scattering coefficients are first computed with the Born approximation and then integrated over the upper hemisphere to be subtracted from unity, in order to obtain the emissivity for the random-medium layer. The theoretical results are illustrated by plotting the emissivities as functions of viewing angles and polarizations. They are used to interpret remote sgnsing data obtained from vegetation canopy where the anisotropic random-medium model applies. Field measurements with corn stalks arranged in various configurations with preferred azimuthal directions are successfully interpreted with this model.

FIBER AND INTEGRATED OPTICS. OTHER TOPICS IN QUANTUM ELECTRONICS: Determination of the saturation parameter in a fast-flow CO2 active medium

NASA Astrophysics Data System (ADS)

Lebedev, V. F.; Lysikov, A. Yu; Ryazanova, A. V.; Shalygin, S. V.

1990-05-01

A diagnostic method was developed for determination of such an important characteristic of a CO2 active medium as the energy stored in the vibrational degrees of freedom of molecules, which can be determined directly from the experimentally measured powers of probe beams without the need for any additional information on the medium and without any numerical calculations. Measurements were carried out using a real fast-flow system, which satisfied the conditions of validity of the proposed diagnostic method, and the correctness of the approach was confirmed. The results obtained demonstrated the efficiency of the excitation of the medium when the pump conditions were varied.

Two space scatterer formalism calculation of bulk parameters of thunderclouds

NASA Technical Reports Server (NTRS)

Phanord, Dieudonne D.

1994-01-01

In a previous study, we used a modified two-space scatterer formalism of Twersky to establish for a cloud modeled as a statistically homogeneous distribution of spherical water droplets, the dispersion relations that determine its bulk propagation numbers and bulk indexes of refraction in terms of the vector equivalent scattering amplitude and the dyadic scattering amplitude of the single water droplet in isolation. The results were specialized to the forward direction of scattering while demanding that the scatterers preserve the incident polarization. We apply this approach to obtain specific numerical values for the macroscopic parameters of the cloud. We work with a cloud of density rho = 100 cm(exp -3), a wavelength lambda = 0.7774 microns, and with spherical water droplets of common radius alpha = 10 microns. In addition, the scattering medium is divided into three parts, the medium outside the cloud, moist air (the medium inside the cloud but outside the droplets), and the medium inside the spherical water droplets. The results of this report are applicable to a cloud of any geometry since the boundary does not interfere with the calculations. Also, it is important to notice the plane wave nature of the incidence wave in the moist atmosphere.

In-beam γ -ray spectroscopy studies of medium-spin states in the odd-odd nucleus 186Re

NASA Astrophysics Data System (ADS)

Matters, D. A.; Kondev, F. G.; Aoi, N.; Ayyad, Y.; Byrne, A. P.; Carpenter, M. P.; Carroll, J. J.; Chiara, C. J.; Davidson, P. M.; Dracoulis, G. D.; Fang, Y. D.; Hoffman, C. R.; Hughes, R. O.; Ideguchi, E.; Janssens, R. V. F.; Kanaya, S.; Kay, B. P.; Kibédi, T.; Lane, G. J.; Lauritsen, T.; McClory, J. W.; Nieminen, P.; Noji, S.; Odahara, A.; Ong, H. J.; Stuchbery, A. E.; Tran, D. T.; Watanabe, H.; Wilson, A. N.; Yamamoto, Y.; Zhu, S.

2017-07-01

Excited states in 186Re with spins up to J =12 ℏ were investigated in two separate experiments using 186W(d ,2 n ) reactions at beam energies of 12.5 and 14.5 MeV. Two- and threefold γ -ray coincidence data were collected using the CAESAR and CAGRA spectrometers, respectively, each composed of Compton-suppressed high-purity germanium detectors. Analysis of the data revealed rotational bands built on several two-quasiparticle intrinsic states, including a long-lived Kπ=(8+) isomer. Configuration assignments were supported by an analysis of in-band properties, such as |gK-gR| values. The excitation energies of the observed intrinsic states were compared with results from multi-quasiparticle blocking calculations, based on the Lipkin-Nogami pairing approach, that included contributions from the residual proton-neutron interactions.

Electromagnetic Forces on a Relativistic Spacecraft in the Interstellar Medium

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

Hoang, Thiem; Loeb, Abraham, E-mail: thiemhoang@kasi.re.kr, E-mail: aloeb@cfa.harvard.edu

2017-10-10

A relativistic spacecraft of the type envisioned by the Breakthrough Starshot initiative will inevitably become charged through collisions with interstellar particles and UV photons. Interstellar magnetic fields would therefore deflect the trajectory of the spacecraft. We calculate the expected deflection for typical interstellar conditions. We also find that the charge distribution of the spacecraft is asymmetric, producing an electric dipole moment. The interaction between the moving electric dipole and the interstellar magnetic field is found to produce a large torque, which can result in fast oscillation of the spacecraft around the axis perpendicular to the direction of motion, with amore » period of ∼0.5 hr. We then study the spacecraft rotation arising from impulsive torques by dust bombardment. Finally, we discuss the effect of the spacecraft rotation and suggest several methods to mitigate it.« less

Electromagnetic Forces on a Relativistic Spacecraft in the Interstellar Medium

NASA Astrophysics Data System (ADS)

Hoang, Thiem; Loeb, Abraham

2017-10-01

A relativistic spacecraft of the type envisioned by the Breakthrough Starshot initiative will inevitably become charged through collisions with interstellar particles and UV photons. Interstellar magnetic fields would therefore deflect the trajectory of the spacecraft. We calculate the expected deflection for typical interstellar conditions. We also find that the charge distribution of the spacecraft is asymmetric, producing an electric dipole moment. The interaction between the moving electric dipole and the interstellar magnetic field is found to produce a large torque, which can result in fast oscillation of the spacecraft around the axis perpendicular to the direction of motion, with a period of ˜0.5 hr. We then study the spacecraft rotation arising from impulsive torques by dust bombardment. Finally, we discuss the effect of the spacecraft rotation and suggest several methods to mitigate it.

Electromagnetically Induced Transparency In Rydberg Atomic Medium

NASA Astrophysics Data System (ADS)

Deng, Li; Cong, Lu; Chen, Ai-Xi

2018-03-01

Due to possessing big principal quantum number, Rydberg atom has some unique properties, for example: its radiative lifetime is long, dipole moment is large, and interaction between atoms is strong and so on. These properties make one pay attention to Rydberg atoms. In this paper we investigate the effects of Rydberg dipole-dipole interactions on electromagnetically induced transparency (EIT) schemes and group velocity in three-level systems of ladder type, which provides theoretical foundation for exploring the linear and nonlinear characteristics of light in a Rydberg electromagnetically-induced-transparency medium.

The Shock and Vibration Bulletin. Part 3: Structure Medium Interaction, Case Studies in Dynamics

NASA Technical Reports Server (NTRS)

1979-01-01

Structure and medium interactions topics are addressed. Topics include: a failure analysis of underground concrete structures subjected to blast loadings, an optimization design procedure for concrete slabs, and a discussion of the transient response of a cylindrical shell submerged in a fluid. Case studies in dynamics are presented which include an examination of a shock isolation platform for a seasparrow launcher, a discussion of hydrofoil fatigue load environments, and an investigation of the dynamic characteristics of turbine generators and low tuned foundations.

Variational Calculation of the Ground State of Closed-Shell Nuclei Up to $A$ = 40

DOE PAGES

Lonardoni, Diego; Lovato, Alessandro; Pieper, Steven C.; ...

2017-08-31

Variational calculations of ground-state properties of 4He, 16O and 40Ca are carried out employing realistic phenomenological two- and three-nucleon potentials. The trial wave function includes twoand three-body correlations acting on a product of single-particle determinants. Expectation values are evaluated with a cluster expansion for the spin-isospin dependent correlations considering up to five-body cluster terms. The optimal wave function is obtained by minimizing the energy expectation value over a set of up to 20 parameters by means of a nonlinear optimization library. We present results for the binding energy, charge radius, point density, single-nucleon momentum distribution, charge form factor, and Coulombmore » sum rule. We find that the employed three-nucleon interaction becomes repulsive for A ≥ 16. In 16O the inclusion of such a force provides a better description of the properties of the nucleus. In 40Ca instead, the repulsive behavior of the three-body interaction fails to reproduce experimental data for the charge radius and the charge form factor. We find that the high-momentum region of the momentum distributions, determined by the short-range terms of nuclear correlations, exhibit a universal behavior independent of the particular nucleus. The comparison of the Coulomb sum rules for 4He, 16O, and 40Ca reported in this work will help elucidate in-medium modifications of the nucleon form factors.« less

Synthesis and characterisation of coating polyurethane cationomers containing fluorine built-in hard urethane segments

PubMed Central

Król, Bożena; Pikus, Stanisław; Chmielarz, Paweł; Skrzypiec, Krzysztof

2010-01-01

Polyurethane cationomers were synthesised in the reaction of 4,4’-methylenebis(phenyl isocyanate) with polyoxyethylene glycol (M = 2,000) or poly(tetrafluoroethyleneoxide-co-difluoromethylene oxide) α,ω-diisocyanate and N-methyl diethanolamine. Amine segments were built-in to the urethane-isocyanate prepolymer in the reaction with 1-bromobutane or formic acid, and then they were converted to alkylammonium cations. The obtained isocyanate prepolymers were then extended in the aqueous medium that yielded stable aqueous dispersions which were applied on the surfaces of test poly(tetrafluoroethylene) plates. After evaporation of water, the dispersions formed thin polymer coatings. 1H, 13C NMR and IR spectral methods were employed to confirm chemical structures of synthesised cationomers. Based on 1H NMR and IR spectra, the factors κ and α were calculated, which represented the polarity level of the obtained cationomers. The DSC, wide angle X-ray scattering and atom force microscopy methods were employed for the microstructural assessment of the obtained materials. Changes were discussed in the surface free energy and its components, as calculated independently according to the method suggested by van Oss–Good, in relation to chemical and physical structures of cationomers as well as morphology of coating surfaces obtained from those cationomers. Fluorine incorporated into cationomers (about 30%) contributed to lower surface free energy values, down to about 15 mJ/m2. That was caused by gradual weakening of long-range interactions within which the highest share is taken by dispersion interactions. PMID:20927181

Neutron-proton effective mass splitting in neutron-rich matter and its impacts on nuclear reactions

NASA Astrophysics Data System (ADS)

Li, Bao-An; Chen, Lie-Wen

2015-04-01

The neutron-proton effective mass splitting in neutron-rich nucleonic matter reflects the spacetime nonlocality of the isovector nuclear interaction. It affects the neutron/proton ratio during the earlier evolution of the Universe, cooling of proto-neutron stars, structure of rare isotopes and dynamics of heavy-ion collisions. While there is still no consensus on whether the neutron-proton effective mass splitting is negative, zero or positive and how it depends on the density as well as the isospin-asymmetry of the medium, significant progress has been made in recent years in addressing these issues. There are different kinds of nucleon effective masses. In this mini-review, we focus on the total effective masses often used in the non-relativistic description of nuclear dynamics. We first recall the connections among the neutron-proton effective mass splitting, the momentum dependence of the isovector potential and the density dependence of the symmetry energy. We then make a few observations about the progress in calculating the neutron-proton effective mass splitting using various nuclear many-body theories and its effects on the isospin-dependence of in-medium nucleon-nucleon cross-sections. Perhaps, our most reliable knowledge so far about the neutron-proton effective mass splitting at saturation density of nuclear matter comes from optical model analyses of huge sets of nucleon-nucleus scattering data accumulated over the last five decades. The momentum dependence of the symmetry potential from these analyses provide a useful boundary condition at saturation density for calibrating nuclear many-body calculations. Several observables in heavy-ion collisions have been identified as sensitive probes of the neutron-proton effective mass splitting in dense neutron-rich matter based on transport model simulations. We review these observables and comment on the latest experimental findings.

Insights into neutrino decoupling gleaned from considerations of the role of electron mass

NASA Astrophysics Data System (ADS)

Grohs, E.; Fuller, George M.

2017-10-01

We present calculations showing how electron rest mass influences entropy flow, neutrino decoupling, and Big Bang Nucleosynthesis (BBN) in the early universe. To elucidate this physics and especially the sensitivity of BBN and related epochs to electron mass, we consider a parameter space of rest mass values larger and smaller than the accepted vacuum value. Electromagnetic equilibrium, coupled with the high entropy of the early universe, guarantees that significant numbers of electron-positron pairs are present, and dominate over the number of ionization electrons to temperatures much lower than the vacuum electron rest mass. Scattering between the electrons-positrons and the neutrinos largely controls the flow of entropy from the plasma into the neutrino seas. Moreover, the number density of electron-positron-pair targets can be exponentially sensitive to the effective in-medium electron mass. This entropy flow influences the phasing of scale factor and temperature, the charged current weak-interaction-determined neutron-to-proton ratio, and the spectral distortions in the relic neutrino energy spectra. Our calculations show the sensitivity of the physics of this epoch to three separate effects: finite electron mass, finite-temperature quantum electrodynamic (QED) effects on the plasma equation of state, and Boltzmann neutrino energy transport. The ratio of neutrino to plasma-component energy scales manifests in Cosmic Microwave Background (CMB) observables, namely the baryon density and the radiation energy density, along with the primordial helium and deuterium abundances. Our results demonstrate how the treatment of in-medium electron mass (i.e., QED effects) could translate into an important source of uncertainty in extracting neutrino and beyond-standard-model physics limits from future high-precision CMB data.

In silico prediction of medium effects on esterification equilibrium using the COSMO-RS method.

PubMed

Fermeglia, Maurizio; Braiuca, Paolo; Gardossi, Lucia; Pricl, Sabrina; Halling, Peter J

2006-01-01

This paper presents a new approach for predicting solvent effects on esterification reactions of industrial importance in the field of biocatalysis. The COSMO-RS method has been used to calculate the activity coefficients of the chemical species involved in various reactions, carried out in different solvents. For comparison we also used the traditional UNIFAC method. Three lipase-catalyzed esterifications were considered: (1) 1-dodecanoic acid with menthol in n-hexane, n-heptane, cyclohexane, 2,2,4-trimethylpentane, toluene, acetonitrile, and 2-methyl-2-butanol; (2) 1-dodecanoic acid and 1-dodecanol in n-hexane, n-heptane, cyclohexane, 2,2,4-trimethylpentane, and toluene; and (3) glycerol and n-octanoic acid in acetonitrile, benzene, and toluene and in the neat reaction mixture (without any solvent). Predicted activities were used to calculate the thermodynamic equilibrium ratio. This should be independent of medium, and the variation in COSMO-RS values is at most 9-fold (corresponding to a DeltaG degrees of about 5.5 kJ/mol, which would still be a very useful prediction) and often only 2-fold (corresponding to less than 2 kJ/mol or 0.5 kcal/mol, therefore comparable with experimental error). UNIFAC is weaker, especially when important roles are played by conformational freedom, intramolecular interactions, strong polar effects, and charge distribution of molecules in the mixture. The relative percent deviations from the mean of equilibrium constants in different solvents range between 17 and 49 for COSMO-RS versus 32 to 65 for UNIFAC. The COSMO-RS method opens up new perspectives for the development of theoretical models for solvent selection with general applicability.

The Role of Anionogenic Elements (As, Sb, Mo, Se, S, P, N, Cl, F, C) In The Formation of Technogenic Geochemical Anomalies

NASA Astrophysics Data System (ADS)

Abrosimova, Natalya; Bortnikova, Svetlana

2017-12-01

The study was conducted on the example of sulphide-containing mine tailings with a varying amount of sulphide and arsenide minerals, from three distinct tailings dumps situated in Russia: Karabash Mine Site, South Ural; Komsomolsk tailings impoundment, Kemerovo region; Khovu-Aksy mine site, Tuva Republic. The aim of the study was to compare the mobility of anionogenic elements (As, Sb, Mo, Se, S, P, N, Cl, F, C) and their role in migration, precipitation, and concentration of metals during the water-tailings interaction depending on the physicochemical parameters (pH, Eh) of the medium and the mineral composition of the waste material. Using slightly acidic leaching experiments the quantitative estimation of mobile forms of elements is given. Based on the compositions of the obtained water leaching solutions, aqueous speciation of chemical elements and saturation index of key minerals in the experimental solutions were calculated. The results of calculating forms of chemical elements made it possible to construct series of mobility of metals and metalloids in solutions with different physicochemical parameters. In the alkaline conditions, Sb>As>Cd>Cu>Zn>Fe>Pb, when the medium is acidified, the series changes, As>Cd>Cu>Zn>Pb>Sb>Fe in weakly alkaline conditions, Sb>Mn>As>Zn>Fe however, when the medium is acidified, the series changes to Cd>Mn>Pb>Cu>Zn>Sb>Ni>Fe>As under acidic conditions Cd>Cu>Zn>Pb>Mn>Fe>Se>Mo>Sb>As>Ni. The mineral composition of the tailings was investigated, which will allow to determine the sources of toxic elements and to understand the processes of secondary mineral formation in technogenic objects. Arsenopyrite and pyrite predominate in the heavy fraction of the Komsomolsk tailings impoundment, arsenopyrite grains are often corroded, Sb contained in Sb oxide and Sb sulfide. The pyrite and barite are determined in the solid matter of the Karabash Mine Site and chalcopyrite, sphalerite, tennantite Cu3AsS3, and tetrahedrite (Cu,Fe)12Sb4S13 are determined in the form of inclusions in grains of pyrite.

Aromatic Side Chain Water-to-Lipid Transfer Free Energies Show a Depth Dependence across the Membrane Normal.

PubMed

McDonald, Sarah K; Fleming, Karen G

2016-06-29

Quantitating and understanding the physical forces responsible for the interactions of biomolecules are fundamental to the biological sciences. This is especially challenging for membrane proteins because they are embedded within cellular bilayers that provide a unique medium in which hydrophobic sequences must fold. Knowledge of the energetics of protein-lipid interactions is thus vital to understand cellular processes involving membrane proteins. Here we used a host-guest mutational strategy to calculate the Gibbs free energy changes of water-to-lipid transfer for the aromatic side chains Trp, Tyr, and Phe as a function of depth in the membrane. This work reveals an energetic gradient in the transfer free energies for Trp and Tyr, where transfer was most favorable to the membrane interfacial region and comparatively less favorable into the bilayer center. The transfer energetics follows the concentration gradient of polar atoms across the bilayer normal that naturally occurs in biological membranes. Additional measurements revealed nearest-neighbor coupling in the data set are influenced by a network of aromatic side chains in the host protein. Taken together, these results show that aromatic side chains contribute significantly to membrane protein stability through either aromatic-aromatic interactions or placement at the membrane interface.

Colliding Winds in Symbiotic Binary Systems. I. Analytic and Numerical Solutions

NASA Astrophysics Data System (ADS)

Kenny, H. T.; Taylor, A. R.

2005-01-01

We present new formulations of binary colliding wind models appropriate to symbiotic star systems. The derived models differ from previous formulations in assuming mixing of the shocked material from both incoming streams, rather than postulating a self-sustaining contact discontinuity. The CWb model (colliding winds, binary) extends the work of Girard and Willson by the derivation of an adiabatic temperature, the consideration of radiative cooling, the inclusion of thermal pressures in the incoming winds, and the treatment of interaction shells of finite thickness and density. The finite thickness of the interaction shell allows for calculation of its radiative intensity distribution. The CWc model (colliding winds, concentric) is a similar extension of the model of Kwok, Purton, and Fitzgerald. It is derived in a manner parallel to that of the CWb model, thereby facilitating a unification of the two models. A unified model is desired since wind collisions in symbiotic systems should include aspects of both CWb and CWc interactions. Two examples of model applications are presented: a comparison of the flux densities arising from colliding winds (CWb model) with those arising from the ionization of the surrounding medium (STB model) in the galactic population of symbiotic stars, and model imaging of the symbiotic nova HM Sge.

Adsorption and possible dissociation of glucose by the [BN fullerene-B6]- magnetic nanocomposite. In silico studies

NASA Astrophysics Data System (ADS)

Anota, E. Chigo; Villanueva, M. Salazar; Shakerzadeh, E.; Castro, M.

2018-02-01

The adsorption, activation and possible dissociation of the glucose molecule on the magnetic [BN fullerene-B6]- system is performed by means of density functional theory calculations. Three models of magnetic nanocomposites were inspected: i) pristine BN fullerene, BN fullerene functionalized with a magnetic B6 cluster which generates two structures: ii) pyramidal (P) and iii) triangular (T). Chemical interactions of glucose appear for all these cases; however, for the BNF:B6(T)—glucose system, the interaction generates an effect of dissociation on glucose, due to the magnetic effects, since it has high spin multiplicity. The latter nanocomposite shows electronic behavior like-conductor and like-semi-conductor for the P and T geometries, respectively. Intrinsic magnetism associated to values of 1.0 magneton bohr (µB) for the pyramidal and 5.0 µB for the triangular structure, high polarity, and low-chemical reactivity are found for these systems. These interesting properties make these functionalized fullerenes a good option for being used as nano-vehicles for drug delivery. These quantum descriptors remain invariant when the [BN]-fullerene and [BNF:B6 (P) or (T)]- nanocomposites are interacting with the glucose molecule. According to the determined adsorption energy, chemisorption regimes occur in both the phases: gas and aqueous medium.

A Meta-Analysis of Factors Influencing the Development of Trust in Automation: Implications for Understanding Autonomy in Future Systems.

PubMed

Schaefer, Kristin E; Chen, Jessie Y C; Szalma, James L; Hancock, P A

2016-05-01

We used meta-analysis to assess research concerning human trust in automation to understand the foundation upon which future autonomous systems can be built. Trust is increasingly important in the growing need for synergistic human-machine teaming. Thus, we expand on our previous meta-analytic foundation in the field of human-robot interaction to include all of automation interaction. We used meta-analysis to assess trust in automation. Thirty studies provided 164 pairwise effect sizes, and 16 studies provided 63 correlational effect sizes. The overall effect size of all factors on trust development was ḡ = +0.48, and the correlational effect was [Formula: see text]  = +0.34, each of which represented medium effects. Moderator effects were observed for the human-related (ḡ  = +0.49; [Formula: see text] = +0.16) and automation-related (ḡ = +0.53; [Formula: see text] = +0.41) factors. Moderator effects specific to environmental factors proved insufficient in number to calculate at this time. Findings provide a quantitative representation of factors influencing the development of trust in automation as well as identify additional areas of needed empirical research. This work has important implications to the enhancement of current and future human-automation interaction, especially in high-risk or extreme performance environments. © 2016, Human Factors and Ergonomics Society.

Capping Parallel β-Sheets of Acetyl(Ala)6NH2 with an Acetyl(Ala)5ProNH2 Can Arrest the Growth of the Sheet, Suggesting a Potential for Curtailing Amyloid Growth. An ONIOM and Density Functional Theory Study

PubMed Central

2015-01-01

We present ONIOM calculations using B3LYP/d95(d,p) as the high level and AM1 as the medium level on parallel β-sheets containing four strands of Ac-AAAAAA-NH2 capped with either Ac-AAPAAA-NH2 or Ac-AAAPAA-NH2. Because Pro can form H-bonds from only one side of the peptide linkage (that containing the C=O H-bond acceptor), only one of the two Pro-containing strands can favorably add to the sheet on each side. Surprisingly, when the sheet is capped with AAPAAA-NH2 at one edge, the interaction between the cap and sheet is slightly more stabilizing than that of another all Ala strand. Breaking down the interaction enthalpies into H-bonding and distortion energies shows the favorable interaction to be due to lower distortion energies in both the strand and the four-stranded sheet. Because another strand would be inhibited for attachment to the other side of the capping (Pro-containing) strand, we suggest the possible use of Pro residues in peptides designed to arrest the growth of many amyloids. PMID:24422496

Scattering of plane transverse waves by spherical inclusions in a poroelastic medium

NASA Astrophysics Data System (ADS)

Liu, Xu; Greenhalgh, Stewart; Zhou, Bing

2009-03-01

The scattering of plane transverse waves by a spherical inclusion embedded in an infinite poroelastic medium is treated for the first time in this paper. The vector displacement wave equations of Biot's theory are solved as an infinite series of vector spherical harmonics for the case of a plane S-wave impinging from a porous medium onto a spherical inclusion which itself is assumed to be another porous medium. Based on the single spherical scattering theory and dynamic composite elastic medium theory, the non-self-consistent shear wavenumber is derived for a porous rock having numerous spherical inclusions of another medium. The frequency dependences of the shear wave velocity and the shear wave attenuation have been calculated for both the patchy saturation model (inclusions having the same solid frame as the host but with a different pore fluid from the host medium) and the double porosity model (inclusions having a different solid frame than the host but the same pore fluid as the host medium) with dilute concentrations of identical inclusions. Unlike the case of incident P-wave scattering, we show that although the fluid and the heterogeneity of the rock determine the shear wave velocity of the composite, the attenuation of the shear wave caused by scattering is actually contributed by the heterogeneity of the rock for spherical inclusions. The scattering of incident shear waves in the patchy saturation model is quite different from that of the double porosity model. For the patchy saturation model, the gas inclusions do not significantly affect the shear wave dispersion characteristic of the water-filled host medium. However, the softer inclusion with higher porosity in the double porosity model can cause significant shear wave scattering attenuation which occurs at a frequency at which the wavelength of the shear wave is approximately equal to the characteristic size of the inclusion and depends on the volume fraction. Compared with analytic formulae for the low frequency limit of the shear velocity, our scattering model yields discrepancies within 4.0 per cent. All calculated shear velocities of the composite medium with dilute inclusion concentrations approach the high frequency limit of the host material.

Longwave Radiative Flux Calculations in the TOVS Pathfinder Path A Data Set

NASA Technical Reports Server (NTRS)

Mehta, Amita; Susskind, Joel

1999-01-01

A radiative transfer model developed to calculate outgoing longwave radiation (OLR) and downwelling longwave, surface flux (DSF) from the Television and Infrared Operational Satellite (TIROS) Operational Vertical Sounder (TOVS) Pathfinder Path A retrieval products is described. The model covers the spectral range of 2 to 2800 cm in 14 medium medium spectral bands. For each band, transmittances are parameterized as a function of temperature, water vapor, and ozone profiles. The form of the band transmittance parameterization is a modified version of the approach we use to model channel transmittances for the High Resolution Infrared Sounder 2 (HIRS2) instrument. We separately derive effective zenith angle for each spectral band such that band-averaged radiance calculated at that angle best approximates directionally integrated radiance for that band. We develop the transmittance parameterization at these band-dependent effective zenith angles to incorporate directional integration of radiances required in the calculations of OLR and DSF. The model calculations of OLR and DSF are accurate and differ by less than 1% from our line-by-line calculations. Also, the model results are within 1% range of other line-by-line calculations provided by the Intercomparison of Radiation Codes in Climate Models (ICRCCM) project for clear-sky and cloudy conditions. The model is currently used to calculate global, multiyear (1985-1998) OLR and DSF from the TOVS Pathfinder Path A Retrievals.

Application of Response Surface Methodology for Optimization of Extracellular Glucoamylase Production by Candida guilliermondii.

PubMed

Mohamed, Lagzouli; Kettani, Youssfi El; Ali, Aitounejjar; Mohamed, Elyachioui; Mohamed, Jadal

2017-01-01

Glucoamylase is among the most important enzymes in biotechnology. The present study aims to determine better conditions for growth and glucoamylase production by Candida guilliermondii and to reduce the overall cost of the medium using Box-Behnken design with one central point and response surface methodology. Box-Behnken factorial design based on three levels was carried out to obtain optimal medium combination of five independent variables such as initial pH, soluble starch, CH4N2O, yeast extract and MgSO4. Forty one randomized mediums were incubated in flask on a rotary shaker at 105 rpm for 72 h at 30°C. The production of biomass was found to be pH and starch dependent, maximum production when the starch concentration was 8 g L-1 and the initial pH was 6, while maximum glucoamylase production was found at 6.5 of initial pH, 4 g L-1 yeast extract and 6 g L-1 starch, whereas yeast extract and urea were highly significant, but interacted negatively. Box-Behnken factorial design used for the analysis of treatment combinations gave a second-order polynomial regression model with R2 = 0.976 for Biomass and R2 = 0.981 for glucoamylase. The final biomass and glucoamylase activity obtained was very close to the calculated parameters according to the p-values (p<0.001), the predicted optimal parameters were confirmed and provides a basis for further studies in baking additives and in the valuation of starch waste products.

The impact of a hybrid social marketing intervention on inequities in access, ownership and use of insecticide-treated nets.

PubMed

Agha, Sohail; Van Rossem, Ronan; Stallworthy, Guy; Kusanthan, Thankian

2007-01-29

An ITN intervention was initiated in three predominantly rural districts of Eastern Province, Zambia, that lacked commercial distribution and communication infrastructures. Social marketing techniques were used for product and message development. Public sector clinics and village-based volunteers promoted and distributed subsidized ITNs priced at 2.5 dollars per net. A study was conducted to assess the effects of the intervention on inequities in knowledge, access, ownership and use of ITNs. A post-test only quasi-experimental study design was used to compare intervention and comparison districts. A total of 2,986 respondents were interviewed. Survey respondents were grouped into four socio-economic (SES) categories: low, medium-low, medium and high. Knowledge, access, ownership and use indicators are compared. Concentration index scores are calculated. Interactions between intervention status and SES help determine how different SES groups benefited from the intervention. Although overall use of nets remained relatively low, post-test data show that knowledge, access, ownership and use of mosquito nets was higher in intervention districts. A decline in SES inequity in access to nets occurred in intervention districts, resulting from a disproportionately greater increase in access among the low SES group. Declines in SES inequities in net ownership and use of nets were associated with the intervention. The largest increases in net ownership and use occurred among medium and high SES categories. Increasing access to nets among the poorest respondents in rural areas may not lead to increases in net use unless the price of nets is no longer a barrier to their purchase.

Studies in perpendicular magnetic recording

NASA Astrophysics Data System (ADS)

Valcu, Bogdan F.

This dissertation uses both micromagnetic simulation and analytical methods to analyze several aspects of a perpendicular recording system. To increase the head field amplitude, the recording layer is grown on top of a soft magnetic layer (keeper). There is concern about the ability of the keeper to conduct the magnetic flux from the head at high data rates. We compute numerically the magnetization motion of the soft underlayer during the reversal process. Generation of non-linear spin waves characterizes the magnetization dynamics in the keeper, the spins are oscillating with a frequency higher than that of the reversal current. However, the recording field applied to the data layer follows the time dependence of the input wave form. The written transition shape is determined by the competition between the head field gradient and the demagnetizing field gradient. An analytical slope model that takes into consideration the angular orientation of the applied field is used to estimate the transition parameter; agreement is shown with the micromagnetic results. On the playback side, the reciprocity principle is applied to calculate the read out signal from a single magnetic transition in the perpendicular medium. The pulse shape is close to an error-function, going through zero when the sensor is above the transition center and decaying from the peak to an asymptotic value when the transition center is far away. Analytical closed forms for both the slope in the origin and the asymptotic value show the dependence on the recording geometry parameters. The Signal-to-Noise Ratio is calculated assuming that the noise is dominated by the medium jitter. To keep the SNR at a readable level while increasing the areal density, the average magnetic grain diameter must decrease; consequently grain size fluctuations will affect the thermal decay. We performed Transmission Electron Microscopy measurements and observed differences in the grain size distribution between various types of media. Perpendicular media has more non-uniform grains than typical longitudinal media; the difference might appear due to the higher symmetry (related to the crystallographic orientation). The SNR is affected in great measure by the amount of exchange interaction between the grains. The intergranular coupling in CoCr alloys---typical for recording media---is reduced by Cr diffusion at the grain boundary. Micromagnetic modeling with an elementary discrete cell of atomic dimensions is used to calculate the magnetization variations through the grain boundary. An effective exchange interaction parameter is determined in terms of details of the chemical composition.

Compact strange stars with a medium dependence in gluons at finite temperature

NASA Astrophysics Data System (ADS)

Bagchi, M.; Ray, S.; Dey, M.; Dey, J.

2006-05-01

Aims.The possible existence of strange stars in the universe will help in the understanding of various properties of quantum chromodynamics, like asymptotic freedom and chiral symmetry restoration, which is otherwise very difficult to prove in laboratory experiments. Methods: .Strange star properties were calculated using large color approximation with built-in chiral symmetry restoration. A relativistic Hartree Fock calculation was performed using the Richardson potential as an interquark interaction. This potential has the asymptotic freedom and a confinement-deconfinement mechanism built into it and the present calculation employs an application of this potential with modified two scale parameters Λ and Λ', to find a new set of equations of state for strange quark matter. The linear confinement string tension from lattice calculations is 350 MeV and the Coulomb -like part has the parameter 100 MeV from deep inelastic scattering experiments. We also consider the effect of temperature, on gluon mass in a simple way, in addition to the usual density dependence, Results: .We obtained a set of new equation of states for strange quark matter and also found that the transition temperature from hadronic matter to strange matter is at 80 MeV, close to the 100 MeV estimated in literature. Conclusions: .Formation of strange stars may be the only signal for formation of quark-gluon plasma with asymptotic freedom and chiral symmetry restoration and this may be observable through many processes - such as for example through delayed γ ray afterglow.

Isogeometric frictionless contact analysis with the third medium method

NASA Astrophysics Data System (ADS)

Kruse, R.; Nguyen-Thanh, N.; Wriggers, P.; De Lorenzis, L.

2018-01-01

This paper presents an isogeometric formulation for frictionless contact between deformable bodies, based on the recently proposed concept of the third medium. This concept relies on continuum formulations not only for the contacting bodies but also for a fictitious intermediate medium in which the bodies can move and interact. Key to the formulation is a suitable definition of the constitutive behavior of the third medium. In this work, based on a number of numerical tests, the role of the material parameters of the third medium is systematically assessed. We also assess the rate of spatial convergence for higher-order discretizations, stemming from the regularization of the non-smooth contact problem inherent to the third medium approach. Finally, problems with self contact are considered and turn out to be an attractive application of the method.

40 CFR 86.244-94 - Calculations; exhaust emissions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... PROGRAMS (CONTINUED) CONTROL OF EMISSIONS FROM NEW AND IN-USE HIGHWAY VEHICLES AND ENGINES Emission Regulations for 1994 and Later Model Year Gasoline-Fueled New Light-Duty Vehicles, New Light-Duty Trucks and New Medium-Duty Passenger Vehicles; Cold Temperature Test Procedures § 86.244-94 Calculations; exhaust...

Scattering calculations and confining interactions

NASA Technical Reports Server (NTRS)

Buck, Warren W.; Maung, Khin M.

1993-01-01

Most of the research work performed under this grant were concerned with strong interaction processes ranging from kaon-nucleon interaction to proton-nucleus scattering calculations. Research performed under this grant can be categorized into three groups: (1) parametrization of fundamental interactions, (2) development of formal theory, and (3) calculations based upon the first two. Parametrizations of certain fundamental interactions, such as kaon-nucleon interaction, for example, were necessary because kaon-nucleon scattering amplitude was needed to perform kaon-nucleus scattering calculations. It was possible to calculate kaon-nucleon amplitudes from the first principle, but it was unnecessary for the purpose of the project. Similar work was also done for example for anti-protons and anti-nuclei. Formal developments to some extent were also pursued so that consistent calculations can be done.

Diffusion model of penetration of a chloride-containing environment in the volume of a constructive element

NASA Astrophysics Data System (ADS)

Ovchinnikov, I. I.; Snezhkina, O. V.; Ovchinnikov, I. G.

2018-06-01

A generalized model of diffusional penetration of a chloride-containing medium into the volume of a compressed reinforced concrete element is considered. The equations of deformation values of reinforced concrete structure are presented, taking into account the degradation of concrete and corrosion of reinforcement. At the initial stage, an applied force calculation of section of the structural element with mechanical properties of the material which are determined by the initial field of concentration of aggressive medium, is carried out. Furthermore, at each discrete instant moment of time, the following properties are determined: the distribution law of concentration for chloride field, corresponding to the parameters of the stress-strain state; the calculation of corrosion damage field of reinforcing elements and the applied force calculation of section of the structural element with parameters corresponding to the distribution of the concentration field and the field of corrosion damage are carried out.

Monte Carlo studies on photon interactions in radiobiological experiments

PubMed Central

Shahmohammadi Beni, Mehrdad; Krstic, D.; Nikezic, D.

2018-01-01

X-ray and γ-ray photons have been widely used for studying radiobiological effects of ionizing radiations. Photons are indirectly ionizing radiations so they need to set in motion electrons (which are a directly ionizing radiation) to perform the ionizations. When the photon dose decreases to below a certain limit, the number of electrons set in motion will become so small that not all cells in an “exposed” cell population can get at least one electron hit. When some cells in a cell population are not hit by a directly ionizing radiation (in other words not irradiated), there will be rescue effect between the irradiated cells and non-irradiated cells, and the resultant radiobiological effect observed for the “exposed” cell population will be different. In the present paper, the mechanisms underlying photon interactions in radiobiological experiments were studied using our developed NRUphoton computer code, which was benchmarked against the MCNP5 code by comparing the photon dose delivered to the cell layer underneath the water medium. The following conclusions were reached: (1) The interaction fractions decreased in the following order: 16O > 12C > 14N > 1H. Bulges in the interaction fractions (versus water medium thickness) were observed, which reflected changes in the energies of the propagating photons due to traversals of different amount of water medium as well as changes in the energy-dependent photon interaction cross-sections. (2) Photoelectric interaction and incoherent scattering dominated for lower-energy (10 keV) and high-energy (100 keV and 1 MeV) incident photons. (3) The fractions of electron ejection from different nuclei were mainly governed by the photoelectric effect cross-sections, and the fractions from the 1s subshell were the largest. (4) The penetration fractions in general decreased with increasing medium thickness, and increased with increasing incident photon energy, the latter being explained by the corresponding reduction in interaction cross-sections. (5) The areas under the angular distribution curves of photons exiting the medium layer and subsequently undergoing interactions within the cell layer became smaller for larger incident photon energies. (6) The number of cells suffering at least one electron hit increased with the administered dose. For larger incident photon energies, the numbers of cells suffering at least one electron hit became smaller, which was attributed to the reduction in the photon interaction cross-section. These results highlighted the importance of the administered dose in radiobiological experiments. In particular, the threshold administered doses at which all cells in the exposed cell array suffered at least one electron hit might provide hints on explaining the intriguing observation that radiation-induced cancers can be statistically detected only above the threshold value of ~100 mSv, and thus on reconciling controversies over the linear no-threshold model. PMID:29561871

A Model for Integrating Technology and Learning in Public Health Education

ERIC Educational Resources Information Center

Bardzell, Shaowen; Bardzell, Jeffrey; So, Hyo-Jeong; Lee, Junghun

2004-01-01

As computer interfaces emerge as an instructional medium, instructors transitioning from the classroom continue to bear the burden of designing effective instruction. The medium of the computer interface, and the kinds of learning and interactive possibilities it affords, presumably changes the delivery of learner-centered instruction.…

Pion Electroproduction off 3HE and Self Energies of the Pion and the Δ Isobar in the Medium

NASA Astrophysics Data System (ADS)

Richter, A.

2002-06-01

The differential coincident pion electroproduction cross section of the 3He(e,e'π+)3H reaction in the excitation region of the Δ resonance has been measured with the high resolution three-spectrometer facility at the Mainz Microtron MAMI. It was the aim of the experiment to study the influence of the nuclear medium on the properties of the pion and the Δ(1232) resonance. Two experimental methods have been applied. For fixed four-momentum transfers Q2 = 0.045 [0.100] (GeV/c)2 with the pions detected in parallel kinematics, the incident energy was varied between 555 and 855 MeV in order to separate the longitudinal (L) and transverse (T) structure functions. In the second case the emitted pions with respect to the momentum transfer direction were detected over a large angular range at fixed incident energy E0 = 855 MeV and the two fixed four-momentum transfers. From the angular distributions the LT interference term has been extracted. The experimental data are compared to model calculations which are based on the elementary pion production amplitude that contains besides the Born terms also the excitation of the Δ and higher resonances. Moreover, three-body Faddeev wave functions are used and the final state interaction of the outgoing pion is taken into account. The experimental cross sections are reproduced only after additional medium modifications of the pion and the Δ isobar have been considered in terms of self energies. In the framework of Chiral Perturbation Theory the pion self energy is related to a reduction of the π+ mass of Δ mπ + = (-1.7+1.7-2.1) MeV/c2 in the neutron-rich nuclear medium at a density of ρ = (0.057+0.085-0.057) fm-3. This result is fully consistent with the one obtained within a two-loop approximation of ChPT. It is also interesting to compare the determined negative mass shift Δmπ+ with a positive mass shift Δmπ- of 23 to 27 MeV/c2 derived recently from deeply bound pionic states in 207Pb and 205Pb. Both pion mass shifts observed in complementary approaches may be understood within the Tomozawa-Weinberg scheme of isovector dominance of the πN interaction, which provides a strong guidance for the understanding of the pion modifications in the nuclear medium. The Δ self energy as extracted from previous data of π0 photoproduction from 4He is compatible with the results of the present experiment. Subsequently, the mass and the decay width of the Δ resonance in the nuclear medium are increased by ΔMΔ = (40-50) MeV/c2 and ΔΓΔ = (60-70) MeV in the considered kinematical region.

An Amorphous Network Model for Capillary Flow and Dispersion in a Partially Saturated Porous Medium

NASA Astrophysics Data System (ADS)

Simmons, C. S.; Rockhold, M. L.

2013-12-01

Network models of capillary flow are commonly used to represent conduction of fluids at pore scales. Typically, a flow system is described by a regular geometric lattice of interconnected tubes. Tubes constitute the pore throats, while connection junctions (nodes) are pore bodies. Such conceptualization of the geometry, however, is questionable for the pore scale, where irregularity clearly prevails, although prior published models using a regular lattice have demonstrated successful descriptions of the flow in the bulk medium. Here a network is allowed to be amorphous, and is not subject to any particular lattice structure. Few network flow models have treated partially saturated or even multiphase conditions. The research trend is toward using capillary tubes with triangular or square cross sections that have corners and always retain some fluid by capillarity when drained. In contrast, this model uses only circular capillaries, whose filled state is controlled by a capillary pressure rule for the junctions. The rule determines which capillary participate in the flow under an imposed matric potential gradient during steady flow conditions. Poiseuille's Law and Laplace equation are used to describe flow and water retention in the capillary units of the model. A modified conjugate gradient solution for steady flow that tracks which capillary in an amorphous network contribute to fluid conduction was devised for partially saturated conditions. The model thus retains the features of classical capillary models for determining hydraulic flow properties under unsaturated conditions based on distribution of non-interacting tubes, but now accounts for flow exchange at junctions. Continuity of the flow balance at every junction is solved simultaneously. The effective water retention relationship and unsaturated permeability are evaluated for an extensive enough network to represent a small bulk sample of porous medium. The model is applied for both a hypothetically randomly generate network and for a directly measured porous medium structure, by means of xray-CT scan. A randomly generated network has the benefit of providing ensemble averages for sample replicates of a medium's properties, whereas network structure measurements are expected to be more predictive. Dispersion of solute in a network flow is calculate by using particle tracking to determine the travel time breakthrough between inflow and outflow boundaries. The travel time distribution can exhibit substantial skewness that reflects both network velocity variability and mixing dilution at junctions. When local diffusion is not included, and transport is strictly advective, then the skew breakthrough is not due to mobile-immobile flow region behavior. The approach of dispersivity to its asymptotic value with sample size is examined, and may be only an indicator of particular stochastic flow variation. It is not proven that a simplified network flow model can accurately predict the hydraulic properties of a sufficiently large-size medium sample, but such a model can at least demonstrate macroscopic flow resulting from the interaction of physical processes at pore scales.

Chapman Enskog-maximum entropy method on time-dependent neutron transport equation

NASA Astrophysics Data System (ADS)

Abdou, M. A.

2006-09-01

The time-dependent neutron transport equation in semi and infinite medium with linear anisotropic and Rayleigh scattering is proposed. The problem is solved by means of the flux-limited, Chapman Enskog-maximum entropy for obtaining the solution of the time-dependent neutron transport. The solution gives the neutron distribution density function which is used to compute numerically the radiant energy density E(x,t), net flux F(x,t) and reflectivity Rf. The behaviour of the approximate flux-limited maximum entropy neutron density function are compared with those found by other theories. Numerical calculations for the radiant energy, net flux and reflectivity of the proposed medium are calculated at different time and space.

Optical spectroscopy of cobalt-doped cadmium telluride

NASA Astrophysics Data System (ADS)

Turner, Eric J.; Evans, Jonathan; Harris, Thomas

2018-02-01

Spectroscopic investigation of Co2+:CdTe was performed to evaluate it's potential as a lasing medium. The sample had a targeted doping concentration of 2% and measurements were performed from 10 - 120K. Cross-sections for Co:CdTe were calculated using Füchtbauer-Ladenburg and reciprocity methods. Calculations suggest the potential for efficient lasing at 3.7μm when pumped by a 3μm laser source on the 4A2 <-> 4T2 transition. The fluorescence lifetime was measured to quantify the temperature dependence of the non-radiative relaxation rate. This work aims to characterize Co:CdTe as a novel gain medium for compact, tunable mid-infrared lasers operating within the atmospheric transmission window.

Compression-sensitive magnetic resonance elastography

NASA Astrophysics Data System (ADS)

Hirsch, Sebastian; Beyer, Frauke; Guo, Jing; Papazoglou, Sebastian; Tzschaetzsch, Heiko; Braun, Juergen; Sack, Ingolf

2013-08-01

Magnetic resonance elastography (MRE) quantifies the shear modulus of biological tissue to detect disease. Complementary to the shear elastic properties of tissue, the compression modulus may be a clinically useful biomarker because it is sensitive to tissue pressure and poromechanical interactions. In this work, we analyze the capability of MRE to measure volumetric strain and the dynamic bulk modulus (P-wave modulus) at a harmonic drive frequency commonly used in shear-wave-based MRE. Gel phantoms with various densities were created by introducing CO2-filled cavities to establish a compressible effective medium. The dependence of the effective medium's bulk modulus on phantom density was investigated via static compression tests, which confirmed theoretical predictions. The P-wave modulus of three compressible phantoms was calculated from volumetric strain measured by 3D wave-field MRE at 50 Hz drive frequency. The results demonstrate the MRE-derived volumetric strain and P-wave modulus to be sensitive to the compression properties of effective media. Since the reconstruction of the P-wave modulus requires third-order derivatives, noise remains critical, and P-wave moduli are systematically underestimated. Focusing on relative changes in the effective bulk modulus of tissue, compression-sensitive MRE may be useful for the noninvasive detection of diseases involving pathological pressure alterations such as hepatic hypertension or hydrocephalus.

Molecular dynamics simulations of diffusion and clustering along critical isotherms of medium-chain n-alkanes.

PubMed

Mutoru, J W; Smith, W; O'Hern, C S; Firoozabadi, A

2013-01-14

Understanding the transport properties of molecular fluids in the critical region is important for a number of industrial and natural systems. In the literature, there are conflicting reports on the behavior of the self diffusion coefficient D(s) in the critical region of single-component molecular systems. For example, D(s) could decrease to zero, reach a maximum, or remain unchanged and finite at the critical point. Moreover, there is no molecular-scale understanding of the behavior of diffusion coefficients in molecular fluids in the critical regime. We perform extensive molecular dynamics simulations in the critical region of single-component fluids composed of medium-chain n-alkanes-n-pentane, n-decane, and n-dodecane-that interact via anisotropic united-atom potentials. For each system, we calculate D(s), and average molecular cluster sizes κ(cl) and numbers N(cl) at various cluster lifetimes τ, as a function of density ρ in the range 0.2ρ(c) ≤ ρ ≤ 2.0ρ(c) at the critical temperature T(c). We find that D(s) decreases with increasing ρ but remains finite at the critical point. Moreover, for any given τ < 1.2 × 10(-12) s, κ(cl) increases with increasing ρ but is also finite at the critical point.

Free Vibration Response Comparison of Composite Beams with Fluid Structure Interaction

DTIC Science & Technology

2012-09-01

fluid damping to vibrating structures when in contact with a fluid medium such as water . The added mass effect changes the dynamic responses of the...200 words) The analysis of the dynamic response of a vibrating structure in contact with a fluid medium can be interpreted as an added mass effect...INTENTIONALLY LEFT BLANK v ABSTRACT The analysis of the dynamic response of a vibrating structure in contact with a fluid medium can be interpreted as

Correspondence between Preference Assessment Outcomes and Stimulus Reinforcer Value for Social Interactions

ERIC Educational Resources Information Center

Davis, Tonya N.; Hodges, Abby; Weston, Regan; Hogan, Emily; Padilla-Mainor, Kristen

2017-01-01

Preferred forms of social interaction were identified using a paired-stimulus format in which two 3-5 s videos of the experimenter providing the social interaction to the participant were presented. Reinforcer efficacy of the high-, medium-, and low-preferred interactions was evaluated using a progressive-ratio schedule to determine the amount of…

Models of Interacting Supernovae: Understanding the Physics and Probing the Circumstellar Environment

NASA Astrophysics Data System (ADS)

Baron, Edward

"Interacting supernovae" are poorly understood astronomical events with great potential for expanding our understanding of how stars evolve and die, and could provide important clues about the early formation of large-scale structures such as galaxies in the universe. Interacting supernovae occur when a star explodes within a dense cloud of material shed from the star in the course of its evolution. The resulting violent interaction between the expanding supernova explosion and the cloud of circumstellar material can lead to an enormously bright visual display --- indeed, many of the brightest supernovae ever recorded are thought to arise from circumstellar interaction. In order to understand the properties of the progenitor star and the details of the circumstellar interaction, there is a need for theoretical models of interacting supernovae. These simulated computer spectra can be directly compared to the spectra observed by telescopes. These models allow us to probe the physical circumstances that underlie the observations. The spectra of interacting supernovae are dominated by strong, narrow emission lines of light elements such as hydrogen and helium. These narrow lines give Type IIn supernovae their designation. Similarly, objects of Type Ian, Ibn, Icn, and IIn are somewhat distinct, but are all defined by the narrow emission lines that result from the interaction of their expanding envelopes with their surroundings. The photosphere in these supernovae is formed in the material accreted during the coasting phase, and most of the luminosity has its origin from the conversion of kinetic explosion energy into luminosity. Both thermonuclear (Type Ia) and core-collapse (Types Ib/Ic and II) supernovae may be the inner engine. In fact, several Type IIn supernovae at early times have later been classified as Type Ia, Type Ib/c, or Type II as their spectra reveal more details about the nature of the central explosion. As a result of the dominance of the interaction, models of interacting supernovae must take into account descriptions of the hydrodynamical, ionization, and light fronts: a full radiation-hydrodynamical problem. The low densities imply strong departures from thermodynamic equilibrium and, thus, demand a non-LTE treatment in the radiative transfer calculation. We propose a collaboration between the University of Oklahoma (OU) and Florida State University (FSU) to calculate hydrodynamical models, light curves, and NLTE spectra of circumstellar interacting supernovae. We will parameterize the explosion of a massive star, study the hydrodynamical impact onto a circumstellar medium and calculate light curves and spectra. Direct comparison with observed supernovae with give us detailed information on the progenitor star, its mass loss history, and the nature of binary stellar evolution. We will calculate explosion models for some of the stellar structures and the ongoing interaction with the circumstellar material using our radiation hydro code HYDRA and NLTE generalized model atmospheres code PHOENIX. We intend to focus on the physics of interacting supernovae, going beyond the regime where self-similar solutions and phenomenological approaches are valid. This will limit the parameter space that needs to be examined, while still allowing for direct comparison with observations. Since many interacting supernovae are extremely bright, they can be seen at the highest redshifts and are good probes of the darkages. These supernovae will be well observed by upcoming NASA mission JWST as well as ground based surveys such as LSST. The tools for this work are in place: FSU PI Peter Hoeflich has been developing and using the hydrodynamic code HYDRA for over two decades and PI Eddie Baron (OU) has been developing the generalized stellar atmosphere code PHOENIX over the same time period. Baron and Hoeflich have a good working relationship and have cross-compared our codes.

[Costs of preserved corneal transplants].

PubMed

Ardjomand, N; Reich, M E

1997-10-01

Organ culture medium and Optisol are the most commonly used corneal storage mediums. This study compares the costs for these two methods. In the calculation of costs we did not just take the direct costs into account, but also tried to determine the fixed costs per transplanted cornea with corresponding assumptions. Proceeding on the assumption that 50 stored corneas were transplanted per year, an amount of 11,660 ATS (1,666 DM, 857 ECU) for each organ cultured and 11,986 ATS (1,712 DM, 881 ECU) for each graft preserved in Optisol was calculated. Raising the number of transplanted corneas to 400 per year, each tissue stored in organ culture medium costs 2,811 ATS (402 DM, 207 ECU) and those preserved in Optisol 3234 ATS (462 DM, 238 ECU). Since organ culture storage gives us a reduction in costs of more than 15% compared to storing in Optisol, when preserving 400 transplantable grafts, from the business economics aspect, this storage method should be preferred.

Simulations on false gain in recombination-pumped soft-X-ray lasers

NASA Astrophysics Data System (ADS)

Ozaki, T.; Kuroda, H.

1997-10-01

Numerical investigations are performed on false gain due to axial plasma expansion, which is expected to be important in initial proof-of-principle studies of recombination-pumped soft-X-ray lasers with extended capabilities. Modelling calculations of experiments with slab boron nitride targets reveal large false gain coefficients approaching 20 cm-1 in the case of plasmas with short active medium lengths. The false gain in the case of fiber targets is found to be of equal magnitude to that for slabs in the case of plasmas with less than 0.1 cm active medium lengths. Calculations for slab targets predict that adopting a tolerance of ǃ cm-1 for gain will severely restrict the time and the active medium length of the plasma that can be used for error-free observations, while those for fiber targets are found to be considerably relaxed. The effects of false gain in the 54.2 + Na Balmer ! laser is also investigated, again revealing the importance of this phenomena under optimum gain conditions.

Modeling and simulations of carbon nanotube (CNT) dispersion in water/surfactant/polymer systems

NASA Astrophysics Data System (ADS)

Uddin, Nasir Mohammad

An innovative multiscale (atomistic to mesoscale) model capable of predicting carbon nanotube (CNT) interactions and dispersion in water/surfactant/polymer systems was developed. The model was verified qualitatively with available experimental data in the literature. It can be used to computationally screen potential surfactants, solvents, polymers, and CNT with appropriate diameter and length to obtain improved CNT dispersion in aqueous medium. Thus the model would facilitate the reduction of time and cost required to produce CNT dispersed homogeneous solutions and CNT reinforced materials. CNT dispersion in any water/surfactant/polymer system depends on interactions between CNTs and surrounding molecules. Central to the study was the atomistic scale model which used the atomic structure of the surfactant, solvent, polymer, and CNT. The model was capable of predicting the CNT interactions in terms of potential of mean force (PMF) between CNTs under the influence of surrounding molecules in an aqueous solution. On the atomistic scale, molecular dynamics method was used to compute the PMF as a function of CNT separation and CNT alignment. An adaptive biasing force (ABF) method was used to speed up the calculations. Correlations were developed to determine the effective interactions between CNTs as a function of their any inter-atomic distance and orientation angle in water as well as in water/surfactant by fitting the calculated PMF data. On the mesoscale, the fitted PMF correlations were used as input in the Monte Carlo simulations to determine the degree of dispersion of CNTs in water and water/surfactant system. The distribution of CNT cluster size was determined for the CNTs dispersed in water with and without surfactant addition. The entropie and enthalpie contributions to the CNT interactions in water were determined to understand the dispersion mechanism of CNTs in water. The effects of CNT orientation, length, diameter, chirality and surfactant concentrations and structures on CNT interactions in water were investigated at room conditions. CNT interactions in polymer solution were also investigated with polyethylene oxide (PEO) polymer and water as a solvent. In all cases, the atomic arrangement of molecules was discussed in detailed. Simulations revealed that CNT orientation, length, diameter, and addition of surfactant and its structures can significantly affect CNT interactions (i.e., PMFs varied significantly) and in-turn the degree of CNT dispersion in aqueous solution. For all simulation cases, a uniform sampling was achieved by using the ABF method to calculate the governing PMF between CNTs indicating the effectiveness and convergence of the adaptive sampling scheme. The surfactant molecules were shown to adsorb at the CNT surface and contribute to weaker interactions between CNTs which resulted less CNT aggregate size at the mesoscale. Surfactant consisting with a benzene ring contributed much weaker interactions between CNTs as compared with that of without benzene ring. The increase in CNT length contributed the stronger CNT interactions where the increase in CNT diameter caused weaker CNT interactions in water. The interfacial characteristics between the CNT, surfactant and the polymer were also predicted and discussed. The model can be expanded for more solvents, surfactants, and polymers.

Nucleon properties in the Polyakov quark-meson model

NASA Astrophysics Data System (ADS)

Li, Yingying; Hu, Jinniu; Mao, Hong

2018-05-01

We study the nucleon as a nontopological soliton in a quark medium as well as in a nucleon medium in terms of the Polyakov quark-meson (PQM) model with two flavors at finite temperature and density. The constituent quark masses evolving with the temperature at various baryon chemical potentials are calculated and the equations of motion are solved according to the proper boundary conditions. The PQM model predicts an increasing size of the nucleon and a reduction of the nucleon mass in both hot environment. However, the phase structure is different from each other in quark and nucleon mediums. There is a crossover in the low-density region and a first-order phase transition in the high-density region in quark medium, whereas there exists a crossover characterized by the overlap of the nucleons in nucleon medium.

Anisotropy of the water-carbon interaction: molecular simulations of water in low-diameter carbon nanotubes.

PubMed

Pérez-Hernández, Guillermo; Schmidt, Burkhard

2013-04-14

Effective Lennard-Jones models for the water-carbon interaction are derived from existing high-level ab initio calculations of water adsorbed on graphene models. The resulting potential energy well (εCO + 2εCH ≈ 1 kJ mol(-1)) is deeper than most of the previously used values in the literature on water in carbon nanotubes (CNTs). Moreover, a substantial anisotropy of the water-carbon interaction (εCO ≈ 2εCH) is obtained, which is neglected in most of the literature. We systematically investigate the effect of this anisotropy on structure and dynamics of TIP5P water confined in narrow, single-walled CNTs by means of molecular dynamics simulations for T = 300 K. While for isotropic models water usually forms one-dimensional, ordered chains inside (6,6) CNTs, we find frequent chain ruptures in simulations with medium to strongly anisotropic potentials. Here, the water molecules tend to form denser clusters displaying a liquid-like behaviour, allowing for self-diffusion along the CNT axis, in contrast to all previous simulations employing spherical (εCH = 0) interaction models. For (7,7) CNTs we observe structures close to trigonal, helical ice nanotubes which exhibit a non-monotonous dependence on the anisotropy of the water-carbon interaction. Both for vanishing and for large values of εCH we find increased fluctuations leading to a more liquid-like behaviour, with enhanced axial diffusion. In contrast, structure and dynamics of water inside (8,8) CNTs are found to be almost independent of the anisotropy of the underlying potential, which is attributed to the higher stability of the non-helical fivefold water prisms. We predict this situation to also prevail for larger CNTs, as the influence of the water-water interaction dominates over that of the water-carbon interaction.

Strong field QED in lepton colliders and electron/laser interactions

NASA Astrophysics Data System (ADS)

Hartin, Anthony

2018-05-01

The studies of strong field particle physics processes in electron/laser interactions and lepton collider interaction points (IPs) are reviewed. These processes are defined by the high intensity of the electromagnetic fields involved and the need to take them into account as fully as possible. Thus, the main theoretical framework considered is the Furry interaction picture within intense field quantum field theory. In this framework, the influence of a background electromagnetic field in the Lagrangian is calculated nonperturbatively, involving exact solutions for quantized charged particles in the background field. These “dressed” particles go on to interact perturbatively with other particles, enabling the background field to play both macroscopic and microscopic roles. Macroscopically, the background field starts to polarize the vacuum, in effect rendering it a dispersive medium. Particles encountering this dispersive vacuum obtain a lifetime, either radiating or decaying into pair particles at a rate dependent on the intensity of the background field. In fact, the intensity of the background field enters into the coupling constant of the strong field quantum electrodynamic Lagrangian, influencing all particle processes. A number of new phenomena occur. Particles gain an intensity-dependent rest mass shift that accounts for their presence in the dispersive vacuum. Multi-photon events involving more than one external field photon occur at each vertex. Higher order processes which exchange a virtual strong field particle resonate via the lifetimes of the unstable strong field states. Two main arenas of strong field physics are reviewed; those occurring in relativistic electron interactions with intense laser beams, and those occurring in the beam-beam physics at the interaction point of colliders. This review outlines the theory, describes its significant novel phenomenology and details the experimental schema required to detect strong field effects and the simulation programs required to model them.

Maxwell-Wagner relaxation in electrical imaging.

PubMed

Korjenevsky, A V

2005-04-01

The electric field tomography (EFT) method exploits interaction of high-frequency electric field with an inhomogeneous conductive medium without contact with the electrodes. The interaction is accompanied by a high-frequency redistribution of free charges inside the medium and leads to small and regular phase shifts of the field in the area surrounding an object. Such a kind of phenomenon is referred to as the Maxwell-Wagner relaxation. Measuring the perturbations of the field using the set of electrodes placed around the object enables us to reconstruct the internal structure of the medium, generally the spatial distribution of a nonlinear combination of permittivity and resistivity. In the case of biomedical applications the result of measurements is determined mainly by the resistivity of the tissues. Three-dimensional simulation based on the finite element method has demonstrated the feasibility of the technique.

Entanglement of a quantum field with a dispersive medium.

PubMed

Klich, Israel

2012-08-10

In this Letter we study the entanglement of a quantum radiation field interacting with a dielectric medium. In particular, we describe the quantum mixed state of a field interacting with a dielectric through plasma and Drude models and show that these generate very different entanglement behavior, as manifested in the entanglement entropy of the field. We also present a formula for a "Casimir" entanglement entropy, i.e., the distance dependence of the field entropy. Finally, we study a toy model of the interaction between two plates. In this model, the field entanglement entropy is divergent; however, as in the Casimir effect, its distance-dependent part is finite, and the field matter entanglement is reduced when the objects are far.

Using Interactive Computer to Communicate Scientific Information.

ERIC Educational Resources Information Center

Selnow, Gary W.

1988-01-01

Asks whether the computer is another channel of communication, if its interactive qualities make it an information source, or if it is an undefined hybrid. Concludes that computers are neither the medium nor the source but will in the future provide the possibility of a sophisticated interaction between human intelligence and artificial…

State of dispersion of magnetic nanoparticles in an aqueous medium: experiments and Monte Carlo simulation.

PubMed

Kumar, Santosh; Ravikumar, Chettiannan; Bandyopadhyaya, Rajdip

2010-12-07

Monte Carlo simulation results predicting the state of dispersion (single, dimer, trimer, and so on) of coated superparamagnetic iron oxide (Fe(3)O(4)) nanoparticles in an aqueous medium are compared with our experimental data for the same. Measured values of the volume percentage of particles in the dispersion, core particle diameter, coating-shell thickness, grafting density of the coating agent, saturation magnetization, and zeta potential for the citric acid-coated and poly(acrylic acid) [PAA]-coated particles have been used in our simulation. The simulation was performed by calculating the total interaction potential between two nanoparticles as a function of their interparticle distance and applying a criterion for the two particles to aggregate, with the criterion being that the minimum depth of the secondary minima in the total interaction potential must be at least equal to k(B)T. Simulation results successfully predicted both experimental trends-aggregates for citric acid-coated particles and an individual isolated state for PAA-coated particles. We have also investigated how this state changes for both kind of coating agents by varying the particle volume percentage from 0.01 to 25%, the particle diameter from 2 to 19 nm, the shell thickness from 1 to 14 nm, and grafting density from 10(15) to 10(22) molecules/m(2). We find that the use of a lower shell thickness and a higher particle volume percentage leads to the formation of larger aggregates. The possible range of values of these four variables, which can be used experimentally to prepare a stable aqueous dispersion of isolated particles, is recommended on the basis of predictions from our simulation.

The social income inequality, social integration and health status of internal migrants in China.

PubMed

Lin, Yanwei; Zhang, Qi; Chen, Wen; Ling, Li

2017-08-04

To examine the interaction between social income inequality, social integration, and health status among internal migrants (IMs) who migrate between regions in China. We used the data from the 2014 Internal Migrant Dynamic Monitoring Survey in China, which sampled 15,999 IMs in eight cities in China. The Gini coefficient at the city level was calculated to measure social income inequality and was categorized into low (0.2 < Gini <= 0.3), medium (0.3 < Gini <= 0.4), high (0.4 < x < = 0.5), and very high (Gini >0.5). Health status was measured based upon self-reported health, subjective well-being, and perceptions of stress and mental health. Social integration was measured from four perspectives (acculturation and integration willingness, social insurance, economy, social communication). Linear mixed models were used to examine the interaction effects between health statuses, social integration, and the Gini coefficient. Factors of social integration, such as economic integration and acculturation and integration willingness, were significantly related to health. Social income inequality had a negative relationship with the health status of IMs. For example, IMs in one city, Qingdao, with a medium income inequality level (Gini = 0.329), had the best health statuses and better social integration. On the other hand, IMs in another city, Shenzhen, who had a large income inequality (Gini = 0.447) were worst in health statues and had worse social integration. Policies or programs targeting IMs should support integration willingness, promote a sense of belonging, and improve economic equality. In the meantime, social activities to facilitate employment and create social trust should also be promoted. At the societal level, structural and policy changes are necessary to promote income equity to promote IMs' general health status.

A k-space method for acoustic propagation using coupled first-order equations in three dimensions.

PubMed

Tillett, Jason C; Daoud, Mohammad I; Lacefield, James C; Waag, Robert C

2009-09-01

A previously described two-dimensional k-space method for large-scale calculation of acoustic wave propagation in tissues is extended to three dimensions. The three-dimensional method contains all of the two-dimensional method features that allow accurate and stable calculation of propagation. These features are spectral calculation of spatial derivatives, temporal correction that produces exact propagation in a homogeneous medium, staggered spatial and temporal grids, and a perfectly matched boundary layer. Spectral evaluation of spatial derivatives is accomplished using a fast Fourier transform in three dimensions. This computational bottleneck requires all-to-all communication; execution time in a parallel implementation is therefore sensitive to node interconnect latency and bandwidth. Accuracy of the three-dimensional method is evaluated through comparisons with exact solutions for media having spherical inhomogeneities. Large-scale calculations in three dimensions were performed by distributing the nearly 50 variables per voxel that are used to implement the method over a cluster of computers. Two computer clusters used to evaluate method accuracy are compared. Comparisons of k-space calculations with exact methods including absorption highlight the need to model accurately the medium dispersion relationships, especially in large-scale media. Accurately modeled media allow the k-space method to calculate acoustic propagation in tissues over hundreds of wavelengths.

Complex carbohydrates reduce the frequency of antagonistic interactions among bacteria degrading cellulose and xylan.

PubMed

Deng, Yi-Jie; Wang, Shiao Y

2017-03-01

Bacterial competition for resources is common in nature but positive interactions among bacteria are also evident. We speculate that the structural complexity of substrate might play a role in mediating bacterial interactions. We tested the hypothesis that the frequency of antagonistic interactions among lignocellulolytic bacteria is reduced when complex polysaccharide is the main carbon source compared to when a simple sugar such as glucose is available. Results using all possible pairwise interactions among 35 bacteria isolated from salt marsh detritus showed that the frequency of antagonistic interactions was significantly lower on carboxymethyl cellulose (CMC)-xylan medium (7.8%) than on glucose medium (15.5%). The two interaction networks were also different in their structures. Although 75 antagonistic interactions occurred on both media, there were 115 that occurred only on glucose and 20 only on CMC-xylan, indicating that some antagonistic interactions were substrate specific. We also found that the frequency of antagonism differed among phylogenetic groups. Gammaproteobacteria and Bacillus sp. were the most antagonistic and they tended to antagonize Bacteroidetes and Actinobacteria, the most susceptible groups. Results from the study suggest that substrate complexity affects how bacteria interact and that bacterial interactions in a community are dynamic as nutrient conditions change. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Deformation of a geo-medium with considering for internal self-balancing stresses

NASA Astrophysics Data System (ADS)

Lavrikov, S. V.; Revuzhenko, A. F.

2016-11-01

Based on the general concept of rock as a medium with inner sources and sinks of energy, the authors consider an approach to mathematical modeling of a geo-medium with account for internal self-balancing stresses. The description of stresses and strains at the level of microstructural elements and macrovolume of the medium uses methods of non-Archimedean analysis. The model allows describing the accumulation of elastic energy in the form of internal self-balancing stresses. A finite element algorithm and a software program for solving plane boundary-value problems have been developed. The calculated data on rock specimen compression are given. It is shown that the behavior of plastic deformation zones depends on the pre-assigned initial microstresses.

Nucleon QCD sum rules in the instanton medium

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

Ryskin, M. G.; Drukarev, E. G., E-mail: drukarev@pnpi.spb.ru; Sadovnikova, V. A.

2015-09-15

We try to find grounds for the standard nucleon QCD sum rules, based on a more detailed description of the QCD vacuum. We calculate the polarization operator of the nucleon current in the instanton medium. The medium (QCD vacuum) is assumed to be a composition of the small-size instantons and some long-wave gluon fluctuations. We solve the corresponding QCD sum rule equations and demonstrate that there is a solution with the value of the nucleon mass close to the physical one if the fraction of the small-size instantons contribution is w{sub s} ≈ 2/3.

Numerical simulation of infrared radiation absorption for diagnostics of gas-aerosol medium by remote sensing data

NASA Astrophysics Data System (ADS)

Voitsekhovskaya, O. K.; Egorov, O. V.; Kashirskii, D. E.; Shefer, O. V.

2015-11-01

Calculated absorption spectra of the mixture of gases (H2O, CO, CO2, NO, NO2, and SO2) and aerosol (soot and Al2O3), contained in the exhausts of aircraft and rocket engines are demonstrated. Based on the model of gas-aerosol medium, a numerical study of the spectral dependence of the absorptance for different ratios of gas and aerosol components was carried out. The influence of microphysical and optical properties of the components of the mixture on the spectral features of absorption of gas-aerosol medium was established.

Reflection and interference of electromagnetic waves in inhomogeneous media

NASA Technical Reports Server (NTRS)

Geiger, F. E.; Kyle, H. L.

1973-01-01

Solutions were obtained of the wave equation for a plane horizontally polarized electro-magnetic wave incident on a semi infinite two dimensional inhomogeneous medium. Two problems were considered: An inhomogeneous half space, and an inhomogeneous layer of arbitrary thickness. Solutions of the wave equation were obtained in terms of Hankel functions with complex arguments. Numerical calculations were made of the reflection coefficient R at the interface of the homogeneous medium. The startling results show that the reflection coefficient for a complex dielectric constant with gradient, can be less than that of the same medium with zero gradient.

Purification of Trypanosoma cruzi metacyclic trypomastigotes by ion exchange chromatography in sepharose-DEAE, a novel methodology for host-pathogen interaction studies.

PubMed

Cruz-Saavedra, Lissa; Muñoz, Marina; León, Cielo; Patarroyo, Manuel Alfonso; Arevalo, Gabriela; Pavia, Paula; Vallejo, Gustavo; Carranza, Julio César; Ramírez, Juan David

2017-11-01

Metacyclic trypomastigotes are essential for the understanding of the biology of Trypanosoma cruzi, the agent of Chagas disease. However, obtaining these biological stages in axenic medium is difficult. Techniques based on charge and density of the parasite during different stages have been implemented, without showing a high efficiency in the purification of metacyclic trypomastigotes. So far, there is no protocol implemented where sepharose-DEAE is used as a resin. Therefore, herein we tested its ability to purify metacyclic trypomastigotes in Liver Infusion Triptose (LIT) medium cultures. A simple, easy-to-execute and effective protocol based on ion exchange chromatography on Sepharose-DEAE resin for the purification of T. cruzi trypomastigotes is described. T. cruzi strains from the Discrete Typing Units (DTUs) I and II were used. The strains were harvested in LIT medium at a concentration of 1×10 7 epimastigotes/mL. We calculated the time of trypomastigotes increment (TTI). Based on the data obtained, Ion exchange chromatography was performed with DEAE-sepharose resin. To verify the purity and viability of the trypomastigotes, a culture was carried out in LIT medium with subsequent verification with giemsa staining. To evaluate if the technique affected the infectivity of trypomastigotes, in vitro assays were performed in Vero cells and in vivo in ICR-CD1 mice. The technique allowed the purification of metacyclic trypomastigotes of other stages of T. cruzi in a percentage of 100%, a greater recovery was observed in cultures of 12days. There were differences regarding the recovery of metacyclic trypomastigotes for both DTUs, being DTU TcI the one that recovered a greater amount of these forms. The technique did not affect parasite infectivity in vitro or/and in vivo. Copyright © 2017 Elsevier B.V. All rights reserved.

Some Phthalocyanine and Naphthalocyanine Derivatives as Corrosion Inhibitors for Aluminium in Acidic Medium: Experimental, Quantum Chemical Calculations, QSAR Studies and Synergistic Effect of Iodide Ions.

PubMed

Dibetsoe, Masego; Olasunkanmi, Lukman O; Fayemi, Omolola E; Yesudass, Sasikumar; Ramaganthan, Baskar; Bahadur, Indra; Adekunle, Abolanle S; Kabanda, Mwadham M; Ebenso, Eno E

2015-08-28

The effects of seven macrocyclic compounds comprising four phthalocyanines (Pcs) namely 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (Pc1), 2,3,9,10,16,17,23,24-octakis(octyloxy)-29H,31H-phthalocyanine (Pc2), 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (Pc3) and 29H,31H-phthalocyanine (Pc4), and three naphthalocyanines namely 5,9,14,18,23,27,32,36-octabutoxy-2,3-naphthalocyanine (nPc1), 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine (nPc2) and 2,3-naphthalocyanine (nP3) were investigated on the corrosion of aluminium (Al) in 1 M HCl using a gravimetric method, potentiodynamic polarization technique, quantum chemical calculations and quantitative structure activity relationship (QSAR). Synergistic effects of KI on the corrosion inhibition properties of the compounds were also investigated. All the studied compounds showed appreciable inhibition efficiencies, which decrease with increasing temperature from 30 °C to 70 °C. At each concentration of the inhibitor, addition of 0.1% KI increased the inhibition efficiency compared to the absence of KI indicating the occurrence of synergistic interactions between the studied molecules and I(-) ions. From the potentiodynamic polarization studies, the studied Pcs and nPcs are mixed type corrosion inhibitors both without and with addition of KI. The adsorption of the studied molecules on Al surface obeys the Langmuir adsorption isotherm, while the thermodynamic and kinetic parameters revealed that the adsorption of the studied compounds on Al surface is spontaneous and involves competitive physisorption and chemisorption mechanisms. The experimental results revealed the aggregated interactions between the inhibitor molecules and the results further indicated that the peripheral groups on the compounds affect these interactions. The calculated quantum chemical parameters and the QSAR results revealed the possibility of strong interactions between the studied inhibitors and metal surface. QSAR analysis on the quantum chemical parameters obtained with B3LYP/6-31G (d,p) method show that a combination of two quantum chemical parameters to form a composite index provides the best correlation with the experimental data.

3D convection in a fractured porous medium : influence of fracture network parameters and comparison to homogeneous approach.

NASA Astrophysics Data System (ADS)

Mezon, Cécile; Mourzenko, Valeri; François Thovert, Jean; Antoine, Raphael; Fontaine, Fabrice; Finizola, Anthony; Adler, Pierre Michel

2016-04-01

In the crust, fractures/faults can provide preferential pathways for fluid flow or act as barriers preventing the flow across these structures. In hydrothermal systems (usually found in fractured rock masses), these discontinuities may play a critical role at various scales, controlling fluid flows and heat transfer. The thermal convection is numerically computed in 3D fluid satured isotropically fractured porous media. Fractures are inserted as 2D convex polygons, which are randomly located. The fluid is assumed to satisfy 2D and 3D Darcy's law in the fractures and in the porous medium, respectively; exchanges take place between these two structures. First, checks were performed on an unfractured porous medium and the convection cells do start for the theoretical value of Ra, namely 4pi². 2D convection was verified up to Ra=800. Second, all fractured simulations were made for Rayleigh numbers (Ra) < 150, cubic boxes and closed-top conditions. The influence of parameters such as fracture aperture (or fracture transmissivity) and fracture density on the heat released by the whole system is studied. Then, the effective permeability of each fractured system is calculated. This last calculation enables the comparison between all fractured models and models of homogeneous medium with the same macroscopic properties. First, the heat increase released by the system as a function of fracture transmissivity and fracture density is determined. Second, results show that the effective approach is valid for low Ra (< 70), and that the mismatch between the full calculations and the effective medium approach for Ra higher than 70 depends on the fracture density in a crucial way. Third, the study also reveals that equivalent properties could be deduced from these computations in order to estimate the heat released by a fractured system from an homogeneous approach.

Accessing English and Networks at an English-Medium Multicultural Church in East Canada: An Ethnography

ERIC Educational Resources Information Center

Han, Huamei

2014-01-01

Drawing from a larger ethnography of skilled Chinese immigrants' language learning during settlement in Toronto, this article explores the role of informal interactions in facilitating immigrants learning English as a second language and settlement. Examining various activities and networks available at an English-medium multicultural church, this…

Computer-Mediated Communication in a High School: The Users Shape the Medium--Part 1.

ERIC Educational Resources Information Center

Bresler, Liora

1990-01-01

This field study represents a departure from structured, or directed, computer-mediated communication as used in its natural environment, the computer lab. Using observations, interviews, and the computer medium itself, the investigators report how high school students interact with computers and create their own agendas for computer usage and…

Research in particles and fields. [using spacecraft and balloons

NASA Technical Reports Server (NTRS)

Vogt, R. E.

1974-01-01

Investigations, by particle-detectors flown on spacecraft, of the astrophysical aspects of cosmic radiation and the radiation environment of the earth are reported along with the research of the interplanetary medium, and planetary magnetic fields. The cosmic ray interactions with the interplanetary and interstellar medium, and radio scintillation theory were also studied.

Mobility monitoring in your community : interactive workshop.

DOT National Transportation Integrated Search

2010-01-01

For Lesson 4 interactive exercise, participants choose from one of three different maps to identify the : needs and opportunities based on community input. The three maps are medium-sized community, small : community with relief route, and smal...

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

NASA Astrophysics Data System (ADS)

Morris, Titus; Bogner, Scott

2015-10-01

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

Cross Section Sensitivity and Propagated Errors in HZE Exposures

NASA Technical Reports Server (NTRS)

Heinbockel, John H.; Wilson, John W.; Blatnig, Steve R.; Qualls, Garry D.; Badavi, Francis F.; Cucinotta, Francis A.

2005-01-01

It has long been recognized that galactic cosmic rays are of such high energy that they tend to pass through available shielding materials resulting in exposure of astronauts and equipment within space vehicles and habitats. Any protection provided by shielding materials result not so much from stopping such particles but by changing their physical character in interaction with shielding material nuclei forming, hopefully, less dangerous species. Clearly, the fidelity of the nuclear cross-sections is essential to correct specification of shield design and sensitivity to cross-section error is important in guiding experimental validation of cross-section models and database. We examine the Boltzmann transport equation which is used to calculate dose equivalent during solar minimum, with units (cSv/yr), associated with various depths of shielding materials. The dose equivalent is a weighted sum of contributions from neutrons, protons, light ions, medium ions and heavy ions. We investigate the sensitivity of dose equivalent calculations due to errors in nuclear fragmentation cross-sections. We do this error analysis for all possible projectile-fragment combinations (14,365 such combinations) to estimate the sensitivity of the shielding calculations to errors in the nuclear fragmentation cross-sections. Numerical differentiation with respect to the cross-sections will be evaluated in a broad class of materials including polyethylene, aluminum and copper. We will identify the most important cross-sections for further experimental study and evaluate their impact on propagated errors in shielding estimates.

Interactions of human hemoglobin with charged ligand-functionalized iron oxide nanoparticles and effect of counterions

NASA Astrophysics Data System (ADS)

Ghosh, Goutam; Panicker, Lata

2014-12-01

Human hemoglobin is an important metalloprotein. It has tetrameric structure with each subunit containing a `heme' group which carries oxygen and carbon dioxide in blood. In this work, we have investigated the interactions of human hemoglobin (Hb) with charged ligand-functionalized iron oxide nanoparticles and the effect of counterions, in aqueous medium. Several techniques like DLS and ζ-potential measurements, UV-vis, fluorescence, and CD spectroscopy have been used to characterize the interaction. The nanoparticle size was measured to be in the range of 20-30 nm. Our results indicated the binding of Hb with both positively as well as negatively charged ligand-functionalized iron oxide nanoparticles in neutral aqueous medium which was driven by the electrostatic and the hydrophobic interactions. The electrostatic binding interaction was not seen in phosphate buffer at pH 7.4. We have also observed that the `heme' groups of Hb remained unaffected on binding with charged nanoparticles, suggesting the utility of the charged ligand-functionalized nanoparticles in biomedical applications.

Understanding the quantum nature of low-energy C(3P j ) + He inelastic collisions.

PubMed

Bergeat, Astrid; Chefdeville, Simon; Costes, Michel; Morales, Sébastien B; Naulin, Christian; Even, Uzi; Kłos, Jacek; Lique, François

2018-05-01

Inelastic collisions that occur between open-shell atoms and other atoms or molecules, and that promote a spin-orbit transition, involve multiple interaction potentials. They are non-adiabatic by nature and cannot be described within the Born-Oppenheimer approximation; in particular, their theoretical modelling becomes very challenging when the collision energies have values comparable to the spin-orbit splitting. Here we study inelastic collisions between carbon in its ground state C( 3 P j=0 ) and helium atoms-at collision energies in the vicinity of spin-orbit excitation thresholds (~0.2 and 0.5 kJ mol -1 )-that result in spin-orbit excitation to C( 3 P j=1 ) and C( 3 P j=2 ). State-to-state integral cross-sections are obtained from crossed-beam experiments with a beam source that provides an almost pure beam of C( 3 P j=0 ) . We observe very good agreement between experimental and theoretical results (acquired using newly calculated potential energy curves), which validates our characterization of the quantum dynamical resonances that are observed. Rate coefficients at very low temperatures suitable for chemical modelling of the interstellar medium are also calculated.

Effects of Nonhydrostatic Stress on Structural and Optoelectronic Properties of Methylammonium Lead Bromide Perovskite

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

Zhang, Rong; Cai, Weizhao; Bi, Tiange

We report synchrotron X-ray diffraction, photoconductivity, and photoluminescence investigations of methylammonium-lead-bromide (MAPbBr3) under various stress conditions, supported by density-functional-theory (DFT) calculations. The properties of MAPbBr3 show substantial dependence on the hydrostatic conditions. While nonhydrostatic compression of MAPbBr3 leads to amorphization above 2.4 GPa, under quasi-hydrostatic (Ar) and hydrostatic (He) pressure, the sample remains in crystalline phases. A sequence of phase transitions between two cubic phases and orthorhombic Pnma phase is observed when using Ar, or no pressure-transmitting-medium (PTM). In helium-PTM only transitions between the two cubic structures and a new isostructural phase transition with a large volume collapse to amore » third cubic-phase at 2.7 GPa was observed. The photoluminescence measurements indicate a pressure-induced band gap-narrowing in the cubic phase I, and a blue-shift in the orthorhombic structure. DFT calculations illustrate that the dynamics of the organic molecules and the inorganic lattice, coupled via the N–H···Br hydrogen-bonding interactions, affect the Pb–Br distance and the bandgap evolution under pressure.« less

Understanding the quantum nature of low-energy C(3Pj) + He inelastic collisions

NASA Astrophysics Data System (ADS)

Bergeat, Astrid; Chefdeville, Simon; Costes, Michel; Morales, Sébastien B.; Naulin, Christian; Even, Uzi; Kłos, Jacek; Lique, François

2018-05-01

Inelastic collisions that occur between open-shell atoms and other atoms or molecules, and that promote a spin-orbit transition, involve multiple interaction potentials. They are non-adiabatic by nature and cannot be described within the Born-Oppenheimer approximation; in particular, their theoretical modelling becomes very challenging when the collision energies have values comparable to the spin-orbit splitting. Here we study inelastic collisions between carbon in its ground state C(3Pj=0) and helium atoms—at collision energies in the vicinity of spin-orbit excitation thresholds ( 0.2 and 0.5 kJ mol-1)—that result in spin-orbit excitation to C(3Pj=1) and C(3Pj=2). State-to-state integral cross-sections are obtained from crossed-beam experiments with a beam source that provides an almost pure beam of C(3Pj=0) . We observe very good agreement between experimental and theoretical results (acquired using newly calculated potential energy curves), which validates our characterization of the quantum dynamical resonances that are observed. Rate coefficients at very low temperatures suitable for chemical modelling of the interstellar medium are also calculated.

Experimental and theoretical studies of novel hydrogen diffuson in fullerite C_60

NASA Astrophysics Data System (ADS)

Fitzgerald, Stephen; Hannachi, Rym; Sholl, David; Sieber, Kurt; Gerogiorgis, Dimitrios

2004-03-01

Given the present interest in hydrogen storage within novel forms of carbon we have investigated the behavior of molecular H2 within solid fullerite C_60. Although C_60 will never be a practical storage medium, it does offer an ideal system to study the interaction of hydrogen within a well-characterized curved graphitic matrix. Our results based on infrared spectroscopy and loading isotherms indicate that isolated interstitial H2 bind preferentially in the lattice octahedral sites and diffuse by hopping between octahedral and tetrahedral sites^1. Parallel replica dynamics and minimum energy path calculations reveal an unexpected diffusion mechanism involving H2 molecules hopping into an already occupied octahedral site^2. This creates a short-lived H2 dimer, with a lower activation barrier for hopping that greatly enhances the diffusion rates. These calculations have been confirmed by experimental isotherm measurements and simulations using a rigorously derived lattice model that show a greatly reduced outgassing life-time with increasing H2 concentrations. ^1 S. A. FitzGerald, S. Forth and M. Rinkoski, Phys. Rev. B, 65, 140302 (2002). ^2 B. P. Uberuaga, A. F. Voter, K. K. Sieber, and D. S. Sholl, Phys. Rev. Lett., 91, 105901 (2003).

Towards a Quantum Dynamical Study of the H_2O+H_2O Inelastic Collision: Representation of the Potential and Preliminary Results

NASA Astrophysics Data System (ADS)

Ndengue, Steve Alexandre; Dawes, Richard

2017-06-01

Water, an essential ingredient of life, is prevalent in space and various media. H_2O in the gas phase is the major polyatomic species in the interstellar medium (ISM) and a primary target of current studies of collisional dynamics. In recent years a number of theoretical and experimental studies have been devoted to H_2O-X (with X=He, H_2, D_2, Ar, ?) elastic and inelastic collisions in an effort to understand rotational distributions of H_2O in molecular clouds. Although those studies treated several abundant species, no quantum mechanical calculation has been reported to date for a nonlinear polyatomic collider. We present in this talk the preliminary steps toward this goal, using the H_2O molecule itself as our collider, the very accurate MB-Pol surface to describe the intermolecular interaction and the MultiConfiguration Time Dependent (MCTDH) algorithm to study the dynamics. One main challenge in this effort is the need to express the Potential Energy Surface (PES) in a sum-of-products form optimal for MCTDH calculations. We will describe how this was done and present preliminary results of state-to-state probabilities.

The observed life cycle of a baroclinic instability

NASA Technical Reports Server (NTRS)

Randel, W. J.; Stanford, J. L.

1985-01-01

Medium-scale waves (zonal wavenumbers 4-7) frequently dominate Southern Hemisphere summer circulation patterns. Randel and Stanford have studied the dynamics of these features, demonstrating that the medium-scale waves result from baroclinic excitation and exhibit well-defined life cycles. This study details the evolution of the medium-scale waves during a particular life cycle. The specific case chosen exhibits a high degree of zonal symmetry, prompting study based upon zonally averaged diagnostics. An analysis of the medium-scale wave energetics reveals a well-defined life cycle of baroclinic growth, maturity, and barotropic decay. Eliassen-Palm flux diagrams detail the daily wave structure and its interaction with the zonally-averaged flow.

Diffusion of strongly magnetized cosmic ray particles in a turbulent medium

NASA Technical Reports Server (NTRS)

Ptuskin, V. S.

1985-01-01

Cosmic ray (CR) propagation in a turbulent medium is usually considered in the diffusion approximation. Here, the diffusion equation is obtained for strongly magnetized particles in the general form. The influence of a large-scale random magnetic field on CR propagation in interstellar medium is discussed. Cosmic rays are assumed to propagate in a medium with a regular field H and an ensemble of random MHD waves. The energy density of waves on scales smaller than the free path 1 of CR particles is small. The collision integral of the general form which describes interaction between relativistic particles and waves in the quasilinear approximation is used.

Medium modified two-body scattering amplitude from proton-nucleus total cross-sections

NASA Technical Reports Server (NTRS)

Tripathi, R. K.; Wilson, J. W.; Cucinotta, F. A.

2001-01-01

Recently (R.K. Tripathi, J.W. Wilson, F.A. Cucinotta, Nucl. Instr. and Meth. B 145 (1998) 277; R.K. Tripathi, F.A. Cucinotta, J.W. Wilson, NASA-TP-1998-208438), we have extracted nucleon-nucleon (N-N) cross-sections in the medium directly from experiment. The in-medium N-N cross-sections form the basic ingredients of several heavy-ion scattering approaches including the coupled-channel approach developed at the NASA Langley Research Center. Here, we investigate the ratio of real to imaginary part of the two-body scattering amplitude in the medium. These ratios are used in combination with the in-medium N-N cross-sections to calculate total proton-nucleus cross-sections. The agreement is excellent with the available experimental data. These cross-sections are needed for the radiation risk assessment of space missions. c2001 Elsevier Science B.V. All rights reserved.

Comprehensive interpretation of thermal dileptons measured at the CERN super proton synchrotron.

PubMed

van Hees, Hendrik; Rapp, Ralf

2006-09-08

Employing thermal dilepton rates based on a medium-modified electromagnetic correlation function we show that recent dimuon spectra of the NA60 Collaboration in central In-In collisions at the CERN-SPS can be understood in terms of radiation from a hot and dense hadronic medium. Earlier calculated in-medium rho-meson spectral functions provide an accurate description of the data up to dimuon invariant masses of about M approximately or equal to 0.9 GeV, with good sensitivity to the predicted rho-meson line shape, identifying baryon-induced modifications as the prevalent ones. A reliable evaluation of the contribution enables the study of further medium effects: at masses M>0.9 GeV, 4-pion type annihilation accounts for the experimentally observed excess (possibly augmented by effects of "chiral mixing"), while predictions for thermal emission from in-medium omega and phi mesons may be tested in the future.

Electromagnetic fields due to a horizontal electric dipole antenna laid on the surface of a two-layer medium

NASA Technical Reports Server (NTRS)

Tsang, L.; Kong, J. A.

1974-01-01

With applications to geophysical subsurface probings, electromagnetic fields due to a horizontal electric dipole laid on the surface of a two-layer medium are solved by a combination of analytic and numerical methods. Interference patterns are calculated for various layer thickness. The results are interpreted in terms of normal modes, and the accuracies of the methods are discussed.

JPRS Report, Science & Technology, China.

DTIC Science & Technology

1992-08-20

nature of the nuclear medium. QCD [quantum chromodynamic] lattice gauge calculations have predicted the existence of a new phase of the nuclear medium...and A106 octahedra; the atoms Nb and Al are located at the vacants of the octahedra, but a fraction of Al in the lattice is replaced by Nb atoms, and...superlattice and quantum-well lattice dynamics and electron structure, transport processes in superlattice low-dimensionality systems, semiconductor

Radiative transfer in a plane stratified dielectric

NASA Technical Reports Server (NTRS)

Wilheit, T. T., Jr.

1975-01-01

A model is developed for calculating radiative transfer in a stratified dielectric. This model is used to show that the reflectivity of a stratified dielectric is primarily determined by gradients in the real part of the refractive index over distances on the order of 1/10 wavelength in the medium. The effective temperature of the medium is determined by the thermodynamic temperature profile over distances of the order delta T.

Numerical simulation of the heat transfer at cooling a high-temperature metal cylinder by a flow of a gas-liquid medium

NASA Astrophysics Data System (ADS)

Makarov, S. S.; Lipanov, A. M.; Karpov, A. I.

2017-10-01

The numerical modeling results for the heat transfer during cooling a metal cylinder by a gas-liquid medium flow in an annular channel are presented. The results are obtained on the basis of the mathematical model of the conjugate heat transfer of the gas-liquid flow and the metal cylinder in a two-dimensional nonstationary formulation accounting for the axisymmetry of the cooling medium flow relative to the cylinder longitudinal axis. To solve the system of differential equations the control volume approach is used. The flow field parameters are calculated by the SIMPLE algorithm. To solve iteratively the systems of linear algebraic equations the Gauss-Seidel method with under-relaxation is used. The results of the numerical simulation are verified by comparing the results of the numerical simulation with the results of the field experiment. The calculation results for the heat transfer parameters at cooling the high-temperature metal cylinder by the gas-liquid flow are obtained with accounting for evaporation. The values of the rate of cooling the cylinder by the laminar flow of the cooling medium are determined. The temperature change intensity for the metal cylinder is analyzed depending on the initial velocity of the liquid flow and the time of the cooling process.

The metabolome and transcriptome of the interaction between Ustilago maydis and Fusarium verticillioides in vitro

USDA-ARS?s Scientific Manuscript database

The metabolome and transcriptome of the maize-infecting fungi Ustilago maydis and Fusarium verticillioides were analyzed as the two fungi interact. Both fungi were grown for seven days in liquid medium alone or together in order to study how this interaction changes their metabolomic and transcripto...

Videodisc/Microcomputer Technology in Wildland Fire Behavior Training

Treesearch

M. J. Jenkins; K.Y. Matsumoto-Grah

1987-01-01

Interactive video is a powerful medium, bringing together the emotional impact of video and film and the interactive capabilities of the computer. Interactive videodisc instruction can be used as a tutorial, for drill and practice and in simulations, as well as for information storage. Videodisc technology is being used in industrial, military and medical applications...

Microwave scattering and emission from a half-space anisotropic random medium

NASA Astrophysics Data System (ADS)

Mudaliar, Saba; Lee, Jay Kyoon

1990-12-01

This paper is a sequel to an earlier paper (Lee and Mudaliar, 1988) where the backscattering coefficients of a half-space anisotropic random medium were obtained. Here the bistatic scattering coefficients are calculated by solving the modified radiative transfer equations under a first-order approximation. The effects of multiple scattering on the results are observed. Emissivities are calculated and compared with those obtained using the Born approximation (single scattering). Several interesting properties of the model are brought to notice using numerical examples. Finally, as an application, the theory is used to interpret the passive remote sensing data of multiyear sea ice in the microwave frequency range. A quite close agreement between theoretical prediction and the measured data is found.

Numerical simulation of abutment pressure redistribution during face advance

NASA Astrophysics Data System (ADS)

Klishin, S. V.; Lavrikov, S. V.; Revuzhenko, A. F.

2017-12-01

The paper presents numerical simulation data on the abutment pressure redistribution in rock mass during face advance, including isolines of maximum shear stress and pressure epures. The stress state of rock in the vicinity of a breakage heading is calculated by the finite element method using a 2D nonlinear model of a structurally heterogeneous medium with regard to plasticity and internal self-balancing stress. The thus calculated stress field is used as input data for 3D discrete element modeling of the process. The study shows that the abutment pressure increases as the roof span extends and that the distance between the face breast and the peak point of this pressure depends on the elastoplastic properties and internal self-balancing stress of a rock medium.

One-loop QCD thermodynamics in a strong homogeneous and static magnetic field

NASA Astrophysics Data System (ADS)

Rath, Shubhalaxmi; Patra, Binoy Krishna

2017-12-01

We have studied how the equation of state of thermal QCD with two light flavors is modified in a strong magnetic field. We calculate the thermodynamic observables of hot QCD matter up to one-loop, where the magnetic field affects mainly the quark contribution and the gluon part is largely unaffected except for the softening of the screening mass. We have first calculated the pressure of a thermal QCD medium in a strong magnetic field, where the pressure at fixed temperature increases with the magnetic field faster than the increase with the temperature at constant magnetic field. This can be understood from the dominant scale of thermal medium in the strong magnetic field, being the magnetic field, in the same way that the temperature dominates in a thermal medium in the absence of magnetic field. Thus although the presence of a strong magnetic field makes the pressure of hot QCD medium larger, the dependence of pressure on the temperature becomes less steep. Consistent with the above observations, the entropy density is found to decrease with the temperature in the presence of a strong magnetic field which is again consistent with the fact that the strong magnetic field restricts the dynamics of quarks to two dimensions, hence the phase space becomes squeezed resulting in the reduction of number of microstates. Moreover the energy density is seen to decrease and the speed of sound of thermal QCD medium increases in the presence of a strong magnetic field. These findings could have phenomenological implications in heavy ion collisions because the expansion dynamics of the medium produced in non-central ultra-relativistic heavy ion collisions is effectively controlled by both the energy density and the speed of sound.

Interactions between a poorly soluble cationic drug and sodium dodecyl sulfate in dissolution medium and their impact on in vitro dissolution behavior.

PubMed

Huang, Zongyun; Parikh, Shuchi; Fish, William P

2018-01-15

In the pharmaceutical industry, in vitro dissolution testing ofsolid oral dosage forms is a very important tool for drug development and quality control. However, ion-pairing interaction between the ionic drugand surfactants in dissolution medium often occurs, resulting in inconsistent and incomplete drug release. The aim of this study is toevaluate the effects ofsodium dodecyl sulfate (SDS) mediated medium onthe dissolution behaviors of a poorly soluble cationic drug (Drug B). The study was carried out by measuring solubility of Drug B substance and dissolution rate of Drug B product in media containing SDS.Desolubilization of Drug B substance was observed at pH 4.5 in the presence of SDS at concentrations below critical micelle concentration (CMC) which is attributed to the formation of an insoluble di-dodecyl sulfate salt between SDS and Drug B. This ion-pairing effect is less significant with increasing medium pH where Drug B is less ionized and CMC of SDS is lower. In medium at pH 4.5, dissolution of Drug B product was found incomplete with SDS concentration below CMC due to the desolubilization of Drug B substance. In media with SDS level above CMC, the dissolution rate is rather slower with higher inter-vessel variations compared to that obtained in pH 4.5 medium without SDS. The dissolution results demonstrate that the presence of SDS in medium generates unexpected irregular dissolution profiles for Drug B which are attributed to incompatible dissolution medium for this particular drug. Therefore, non-ionic surfactant was selected for Drug B product dissolution method and ion-pairing effect in SDS mediated medium should be evaluated when developing a dissolution method for any poorly soluble cationic drugs. Copyright © 2017 Elsevier B.V. All rights reserved.

Galactoglucomannan oligosaccharides are assumed to affect tracheary element formation via interaction with auxin in Zinnia xylogenic cell culture.

PubMed

Kákošová, Anna; Digonnet, Catherine; Goffner, Deborah; Lišková, Desana

2013-04-01

Galactoglucomannan oligosaccharides seem to interact with auxin in xylogenic cell culture, thus influencing mainly metaxylem-like tracheary element differentiation depending on timing with hormones and the process kinetics. Complex mapping of Zinnia mesophyll cell transdifferentiation into tracheary elements with or without prior cell division was documented after palisade and spongy parenchyma cell immobilization during the first 4 days of culture. Here, we report a positive effect of galactoglucomannan oligosaccharides on cell viability and density and higher metaxylem-like tracheary element formation in xylogenic cell culture. The maximal positive effect was achieved by the simultaneous addition of the oligosaccharides and growth hormones (auxin, cytokinin) to the cell culture medium. Moreover, a large number of metaxylem-like tracheary elements were observed in a low-auxin medium supplemented with oligosaccharides, but not in a low-cytokinin medium, suggesting a close relationship between auxin and the oligosaccharides during tracheary element formation.

Enhanced reaction kinetics in biological cells

NASA Astrophysics Data System (ADS)

Loverdo, C.; Bénichou, O.; Moreau, M.; Voituriez, R.

2008-02-01

The cell cytoskeleton is a striking example of an `active' medium driven out-of-equilibrium by ATP hydrolysis. Such activity has been shown to have a spectacular impact on the mechanical and rheological properties of the cellular medium, as well as on its transport properties: a generic tracer particle freely diffuses as in a standard equilibrium medium, but also intermittently binds with random interaction times to motor proteins, which perform active ballistic excursions along cytoskeletal filaments. Here, we propose an analytical model of transport-limited reactions in active media, and show quantitatively how active transport can enhance reactivity for large enough tracers such as vesicles. We derive analytically the average interaction time with motor proteins that optimizes the reaction rate, and reveal remarkable universal features of the optimal configuration. We discuss why active transport may be beneficial in various biological examples: cell cytoskeleton, membranes and lamellipodia, and tubular structures such as axons.

Localized states and their stability in an anharmonic medium with a nonlinear defect

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

Gerasimchuk, I. V., E-mail: igor.gera@gmail.com

2015-10-15

A comprehensive analysis of soliton states localized near a plane defect (a defect layer) possessing nonlinear properties is carried out within a quasiclassical approach for different signs of nonlinearity of the medium and different characters of interaction of elementary excitations of the medium with the defect. A quantum interpretation is given to these nonlinear localized modes as a bound state of a large number of elementary excitations. The domains of existence of such states are determined, and their properties are analyzed as a function of the character of interaction of elementary excitations between each other and with the defect. Amore » full analysis of the stability of all the localized states with respect to small perturbations of amplitude and phase is carried out analytically, and the frequency of small oscillations of the state localized on the defect is determined.« less

Interaction effect of response medium and working memory capacity on creative idea generation

PubMed Central

Hao, Ning; Yuan, Huan; Cheng, Rui; Wang, Qing; Runco, Mark A.

2015-01-01

This study aimed to examine the interaction effect of response medium (i.e., write down ideas and orally report ideas) and working memory capacity (WMC) on creative idea generation. Participants (N = 90) with higher or lower WMC were asked to solve Alternative Uses Task (AUT) problems in the condition of writing down or speaking out ideas. The results showed that fluency of AUT performance was higher in the writing than in the speaking condition. Additionally, participants with higher WMC performed better on AUT fluency than those with lower WMC in the writing condition, while they showed no difference in the speaking condition. Moreover, level of cognitive demand fully mediated the effect of response medium on AUT fluency. Theoretically, these findings indicated the importance of WMC in creative idea generation, which supported the controlled-attention theory of creativity. Practical implications and future directions were discussed. PMID:26528227

Interaction effect of response medium and working memory capacity on creative idea generation.

PubMed

Hao, Ning; Yuan, Huan; Cheng, Rui; Wang, Qing; Runco, Mark A

2015-01-01

This study aimed to examine the interaction effect of response medium (i.e., write down ideas and orally report ideas) and working memory capacity (WMC) on creative idea generation. Participants (N = 90) with higher or lower WMC were asked to solve Alternative Uses Task (AUT) problems in the condition of writing down or speaking out ideas. The results showed that fluency of AUT performance was higher in the writing than in the speaking condition. Additionally, participants with higher WMC performed better on AUT fluency than those with lower WMC in the writing condition, while they showed no difference in the speaking condition. Moreover, level of cognitive demand fully mediated the effect of response medium on AUT fluency. Theoretically, these findings indicated the importance of WMC in creative idea generation, which supported the controlled-attention theory of creativity. Practical implications and future directions were discussed.

Thermodynamic investigations of protein's behaviour with ionic liquids in aqueous medium studied by isothermal titration calorimetry.

PubMed

Bharmoria, Pankaj; Kumar, Arvind

2016-05-01

While a number of reports appear on ionic liquids-proteins interactions, their thermodynamic behaviour using suitable technique like isothermal titration calorimetry is not systematically presented. Isothermal titration calorimetry (ITC) is a key technique which can directly measure the thermodynamic contribution of IL binding to protein, particularly the enthalpy, heat capacities and binding stoichiometry. Ionic liquids (ILs), owing to their unique and tunable physicochemical properties have been the central area of scientific research besides graphene in the last decade, and growing unabated. Their encounter with proteins in the biological system is inevitable considering their environmental discharge though most of them are recyclable for a number of cycles. In this article we will cover the thermodynamics of proteins upon interaction with ILs as osmolyte and surfactant. The up to date literature survey of IL-protein interactions using isothermal titration calorimetry will be discussed and parallel comparison with the results obtained for such studies with other techniques will be highlighted to demonstrate the accuracy of ITC technique. Net stability of proteins can be obtained from the difference in the free energy (ΔG) of the native (folded) and denatured (unfolded) state using the Gibbs-Helmholtz equation (ΔG=ΔH-TΔS). Isothermal titration calorimetry can directly measure the heat changes upon IL-protein interactions. Calculation of other thermodynamic parameters such as entropy, binding constant and free energy depends upon the proper fitting of the binding isotherms using various fitting models. Copyright © 2015 Elsevier B.V. All rights reserved.

Parametric normalization for full-energy peak efficiency of HPGe γ-ray spectrometers at different counting positions for bulky sources.

PubMed

Peng, Nie; Bang-Fa, Ni; Wei-Zhi, Tian

2013-02-01

Application of effective interaction depth (EID) principle for parametric normalization of full energy peak efficiencies at different counting positions, originally for quasi-point sources, has been extended to bulky sources (within ∅30 mm×40 mm) with arbitrary matrices. It is also proved that the EID function for quasi-point source can be directly used for cylindrical bulky sources (within ∅30 mm×40 mm) with the geometric center as effective point source for low atomic number (Z) and low density (D) media and high energy γ-rays. It is also found that in general EID for bulky sources is dependent upon Z and D of the medium and the energy of the γ-rays in question. In addition, the EID principle was theoretically verified by MCNP calculations. Copyright © 2012 Elsevier Ltd. All rights reserved.

Structure of a peptide adsorbed on graphene and graphite.

PubMed

Katoch, Jyoti; Kim, Sang Nyon; Kuang, Zhifeng; Farmer, Barry L; Naik, Rajesh R; Tatulian, Suren A; Ishigami, Masa

2012-05-09

Noncovalent functionalization of graphene using peptides is a promising method for producing novel sensors with high sensitivity and selectivity. Here we perform atomic force microscopy, Raman spectroscopy, infrared spectroscopy, and molecular dynamics simulations to investigate peptide-binding behavior to graphene and graphite. We studied a dodecamer peptide identified with phage display to possess affinity for graphite. Optical spectroscopy reveals that the peptide forms secondary structures both in powder form and in an aqueous medium. The dominant structure in the powder form is α-helix, which undergoes a transition to a distorted helical structure in aqueous solution. The peptide forms a complex reticular structure upon adsorption on graphene and graphite, having a helical conformation different from α-helix due to its interaction with the surface. Our observation is consistent with our molecular dynamics calculations, and our study paves the way for rational functionalization of graphene using biomolecules with defined structures and, therefore, functionalities.

Enhanced hydrogen storage on Li-doped defective graphene with B substitution: A DFT study

NASA Astrophysics Data System (ADS)

Zhou, Yanan; Chu, Wei; Jing, Fangli; Zheng, Jian; Sun, Wenjing; Xue, Ying

2017-07-01

The characteristics of hydrogen adsorption on Li-doped defective graphene systems were investigated using density functional theory (DFT) calculations. Four types of defective structures were selected. Li atoms were well dispersed on the defective graphene without clustering, evidenced by the binding energy value between Li and defective graphene than that of Li-Lix. Additionally, as the amount of adsorbed H2 molecules increase, the H2 molecules show tilting configuration toward the Li adatom. This is beneficial for more hydrogen adsorption under the electrostatic interaction. On these four stable structures, there were up to three polarized H2 molecules adsorbed on per Li adatom, with the average hydrogen adsorption energy in the range of approximately 0.2-0.4 eV. These results provide new focus on the nature of Li-doped defective graphene with sometimes B substitution medium, which could be considered as a promising candidate for hydrogen storage.

Second harmonic sound field after insertion of a biological tissue sample

NASA Astrophysics Data System (ADS)

Zhang, Dong; Gong, Xiu-Fen; Zhang, Bo

2002-01-01

Second harmonic sound field after inserting a biological tissue sample is investigated by theory and experiment. The sample is inserted perpendicular to the sound axis, whose acoustical properties are different from those of surrounding medium (distilled water). By using the superposition of Gaussian beams and the KZK equation in quasilinear and parabolic approximations, the second harmonic field after insertion of the sample can be derived analytically and expressed as a linear combination of self- and cross-interaction of the Gaussian beams. Egg white, egg yolk, porcine liver, and porcine fat are used as the samples and inserted in the sound field radiated from a 2 MHz uniformly excited focusing source. Axial normalized sound pressure curves of the second harmonic wave before and after inserting the sample are measured and compared with the theoretical results calculated with 10 items of Gaussian beam functions.

Quantum-chemical investigation of the structures and electronic spectra of the nucleic acid bases at the coupled cluster CC2 level.

PubMed

Fleig, Timo; Knecht, Stefan; Hättig, Christof

2007-06-28

We study the ground-state structures and singlet- and triplet-excited states of the nucleic acid bases by applying the coupled cluster model CC2 in combination with a resolution-of-the-identity approximation for electron interaction integrals. Both basis set effects and the influence of dynamic electron correlation on the molecular structures are elucidated; the latter by comparing CC2 with Hartree-Fock and Møller-Plesset perturbation theory to second order. Furthermore, we investigate basis set and electron correlation effects on the vertical excitation energies and compare our highest-level results with experiment and other theoretical approaches. It is shown that small basis sets are insufficient for obtaining accurate results for excited states of these molecules and that the CC2 approach to dynamic electron correlation is a reliable and efficient tool for electronic structure calculations on medium-sized molecules.

Effect of Ga doping and point defect on magnetism of ZnO

NASA Astrophysics Data System (ADS)

Hou, Qingyu; Zhao, Chunwang; Jia, Xiaofang; Qu, Lingfeng

2017-02-01

The combined influence mechanism of Ga doping and Zn vacancy or O vacancy on magnetism of ZnO is studied using the first-principle calculation. The coexistence of Ga doping and Zn vacancy can achieve a Curie temperature higher than room temperature and the Ga doped ZnO system is a p-type diluted degenerate semiconductor with metalized ferromagnetism. The magnetism of the doping system of Ga doping and Zn vacancy is mainly contributed by double-exchange interaction through the holes of Zn vacancy taking carrier as medium. However, the system of Ga doping and O vacancy is non-magnetic. In the coexistence of Ga doping and Zn vacancy or O vacancy, a close relative distance between doping and vacancy will reduce the formation energy of the doping system but increase the easiness of doping and vacancy, as well as enhance the stability of the doping system.

Multiple-mode reconfigurable electro-optic switching network for optical fiber sensor array

NASA Technical Reports Server (NTRS)

Chen, Ray T.; Wang, Michael R.; Jannson, Tomasz; Baumbick, Robert

1991-01-01

This paper reports the first switching network compatible with multimode fibers. A one-to-many cascaded reconfigurable interconnection was built. A thin glass substrate was used as the guiding medium which provides not only higher coupling efficiency from multimode fiber to waveguide but also better tolerance of phase-matching conditions. Involvement of a total-internal-reflection hologram and multimode waveguide eliminates interface problems between fibers and waveguides. The DCG polymer graft has proven to be reliable from -180 C to +200 C. Survivability of such an electrooptic system in harsh environments is further ensured. LiNbO3 was chosen as the E-O material because of its stability at high temperatures (phase-transition temperature of more than 1000 C) and maturity of E-O device technology. Further theoretical calculation was conducted to provide the optimal interaction length and device capacitance.

BEC-BCS crossover and the liquid-gas phase transition in hot and dense nuclear matter

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

Jin Meng; Urban, Michael; Schuck, Peter

2010-08-15

The effect of nucleon-nucleon correlations in symmetric nuclear matter at finite temperature is studied beyond BCS theory. Starting from a Hartree-Fock description of nuclear matter with the Gogny effective interaction, we add correlations corresponding to the formation of preformed pairs and scattering states above the superfluid critical temperature within the in-medium T-matrix approach, which is analogous to the Nozieres-Schmitt-Rink theory. We calculate the critical temperature for a BEC superfluid of deuterons, of a BCS superfluid of nucleons, and in the crossover between these limits. The effect of the correlations on thermodynamic properties (equation of state, energy, entropy) and the liquid-gasmore » phase transition is discussed. Our results show that nucleon-nucleon correlations beyond BCS play an important role for the properties of nuclear matter, especially in the low-density region.« less

In-beam γ -ray spectroscopy studies of medium-spin states in the odd-odd nucleus Re 186

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

Matters, D. A.; Kondev, F. G.; Aoi, N.

2017-07-01

Excited states in 186Re with spins up to J = 12~ were investigated in two separate experiments using 186W(d, 2n) reactions at beam energies of 12.5 MeV and 14.5 MeV. Two- and three-fold γ-ray coincidence data were collected using the CAESAR and CAGRA spectrometers, respectively, each composed of Compton-suppressed HpGe detectors. Analysis of the data revealed rotational bands built on several two-quasiparticle intrinsic states, including a long-lived Kπ = (8+) isomer. Configuration assignments were supported by an analysis of in-band properties, such as |gK - gR| values. The excitation energies of the observed intrinsic states were compared with results frommore » multiquasiparticle blocking calculations, based on the Lipkin-Nogami pairing approach, that included contributions from the residual proton-neutron interactions.« less

Method and device for predicting wavelength dependent radiation influences in thermal systems

DOEpatents

Kee, Robert J.; Ting, Aili

1996-01-01

A method and apparatus for predicting the spectral (wavelength-dependent) radiation transport in thermal systems including interaction by the radiation with partially transmitting medium. The predicted model of the thermal system is used to design and control the thermal system. The predictions are well suited to be implemented in design and control of rapid thermal processing (RTP) reactors. The method involves generating a spectral thermal radiation transport model of an RTP reactor. The method also involves specifying a desired wafer time dependent temperature profile. The method further involves calculating an inverse of the generated model using the desired wafer time dependent temperature to determine heating element parameters required to produce the desired profile. The method also involves controlling the heating elements of the RTP reactor in accordance with the heating element parameters to heat the wafer in accordance with the desired profile.

Strange quark matter fragmentation in astrophysical events

NASA Astrophysics Data System (ADS)

Paulucci, L.; Horvath, J. E.

2014-06-01

The conjecture of Bodmer-Witten-Terazawa suggesting a form of quark matter (Strange Quark Matter) as the ground state of hadronic interactions has been studied in laboratory and astrophysical contexts by a large number of authors. If strange stars exist, some violent events involving these compact objects, such as mergers and even their formation process, might eject some strange matter into the interstellar medium that could be detected as a trace signal in the cosmic ray flux. To evaluate this possibility, it is necessary to understand how this matter in bulk would fragment in the form of strangelets (small lumps of strange quark matter in which finite effects become important). We calculate the mass distribution outcome using the statistical multifragmentation model and point out several caveats affecting it. In particular, the possibility that strangelets fragmentation will render a tiny fraction of contamination in the cosmic ray flux is discussed.

Bose polaron problem: Effect of mass imbalance on binding energy

NASA Astrophysics Data System (ADS)

Ardila, L. A. Peña; Giorgini, S.

2016-12-01

By means of quantum Monte Carlo methods we calculate the binding energy of an impurity immersed in a Bose-Einstein condensate at T =0 . The focus is on the attractive branch of the Bose polaron and on the role played by the mass imbalance between the impurity and the surrounding particles. For an impurity resonantly coupled to the bath, we investigate the dependence of the binding energy on the mass ratio and on the interaction strength within the medium. In particular, we determine the equation of state in the case of a static (infinite mass) impurity, where three-body correlations are irrelevant and the result is expected to be a universal function of the gas parameter. For the mass ratio corresponding to 40K impurities in a gas of 87Rb atoms, we provide an explicit comparison with the experimental findings of a recent study carried out at JILA.

Binding energies and modelling of nuclei in semiclassical simulations

NASA Astrophysics Data System (ADS)

Pérez-García, M. Ángeles; Tsushima, K.; Valcarce, A.

2008-03-01

We study the binding energies of spin isospin saturated nuclei with nucleon number 8⩽A⩽100 in semiclassical Monte Carlo many-body simulations. The model Hamiltonian consists of (i) nucleon kinetic energy, (ii) a nucleon nucleon interaction potential, and (iii) an effective Pauli potential which depends on density. The basic ingredients of the nucleon nucleon potential are a short-range repulsion, and a medium-range attraction. Our results demonstrate that one can always expect to obtain the empirical binding energies for a set of nuclei by introducing a proper density dependent Pauli potential in terms of a single variable, the nucleon number, A. The present work shows that in the suggested procedure there is a delicate counterbalance of kinetic and potential energetic contributions allowing a good reproduction of the experimental nuclear binding energies. This type of calculations may be of interest in further reproduction of other properties of nuclei such as radii and also exotic nuclei.

Image method for electrostatic energy of polarizable dipolar spheres

NASA Astrophysics Data System (ADS)

Gustafson, Kyle S.; Xu, Guoxi; Freed, Karl F.; Qin, Jian

2017-08-01

The multiple-scattering theory for the electrostatics of many-body systems of monopolar spherical particles, embedded in a dielectric medium, is generalized to describe the electrostatics of these particles with embedded dipoles and multipoles. The Neumann image line construction for the electrostatic polarization produced by one particle is generalized to compute the energy, forces, and torques for the many-body system as functions of the positions of the particles. The approach is validated by comparison with direct numerical calculation, and the convergence rate is analyzed and expressed in terms of the discontinuity in dielectric contrast and particle density. As an illustration of this formalism, the stability of small particle clusters is analyzed. The theory is developed in a form that can readily be adapted to Monte Carlo and molecular dynamics simulations for polarizable particles and, more generally, to study the interactions among polarizable molecules.

Computer Networking for Collegial Exchange among Teachers: A Summary of Findings and Recommendations. Technical Report.

ERIC Educational Resources Information Center

West, Mary Maxwell; McSwiney, Eileen

Asynchronous computer-based conferencing offers several unique capabilities as a medium. Participants can read and write messages at whatever time is convenient for them, groups can interact even though participants are geographically separated, and messages are available to readers almost instantly. Because the medium has served for over a decade…

Using an iTouch to Teach Core Curriculum Words and Definitions: Efficacy and Social Validity

ERIC Educational Resources Information Center

Jameson, J. Matt; Thompson, Victoria; Manuele, Greg; Smith, Diane; Egan, Hannah; Moore, Tiffany

2012-01-01

Media scholars have long recognized the interaction between the medium that conveys the information and the information that is conveyed. This study examined the relative impact of different low- and high-tech instructional mediums (e.g., flashcards and the iTouch) on the acquisition of general education content-referenced sight words and…

Questions in English as a Medium of Instruction versus Non-English as a Medium of Instruction Lectures

ERIC Educational Resources Information Center

Maíz Arévalo, Carmen

2017-01-01

University lectures are by far the most common method of teaching at Spanish universities. More recently, however, this knowledge transmission has become increasingly interactive. Students' participation and verbal output becomes especially important in classes where the language of instruction is not the students' mother tongue but a second or…

Carbon dioxide-expanded liquid substrate phase: an effective medium for selective hydrogenation of cinnamaldehyde to cinnamyl alcohol.

PubMed

Zhao, Fengyu; Fujita, Shin-ichio; Sun, Jianmin; Ikushima, Yutaka; Arai, Masahiko

2004-10-21

It has been shown that CO(2)-expanded cinnamaldehyde liquid phase is a unique and effective medium for cinnamaldehyde hydrogenation to cinnamyl alcohol, due to interactions between the C[double bond, length as m-dash]O group of the substrate and CO(2) molecules and increased solubility of H(2).

Design in Context: A Conceptual Framework for the Study of Computer Software in Higher Education.

ERIC Educational Resources Information Center

Kozma, Robert B.; Bangert-Drowns, Robert L.

The conceptual groundwork needed to examine the impact of technology, primarily microcomputers, on student learning is presented. Medium, method, and context are tied with a science of design. In section I, research on technology in higher education is reviewed, medium and method are defined, and interaction with context is discussed. Taxonomies…

Using Mimio Boardcast in an Online Principles of Macroeconomics Course to Improve Student Performance

ERIC Educational Resources Information Center

Finlay, Nikki McIntyre; Deis, Michael H.

2005-01-01

The emergence of the speedily evolving world of technology has given many universities an interactive medium to facilitate teaching and learning. One such medium has been online courses, which have provided greater access to both traditional and non-traditional students. In quantitative courses such as economics, however, there are often concerns…

Wind Tunnel Measurements and Calculations of Aerodynamic Interactions Between Tiltrotor Aircraft

NASA Technical Reports Server (NTRS)

Johnson, Wayne; Yamauchi, Gloria K.; Derby, Michael R.; Wadcock, Alan J.

2002-01-01

Wind tunnel measurements and calculations of the aerodynamic interactions between two tiltrotor aircraft in helicopter mode are presented. The measured results include the roll moment and thrust change on the downwind aircraft, as a function of the upwind aircraft position (longitudinal, lateral, and vertical). Magnitudes and locations of the largest interactions are identified. The calculated interactions generally match the measurements, with discrepancies attributed to the unsteadiness of the wake and aerodynamic forces on the airframe. To interpret the interactions in terms of control and power changes on the aircraft, additional calculations are presented for trimmed aircraft with gimballed rotors.

Validation of GPU-accelerated superposition-convolution dose computations for the Small Animal Radiation Research Platform.

PubMed

Cho, Nathan; Tsiamas, Panagiotis; Velarde, Esteban; Tryggestad, Erik; Jacques, Robert; Berbeco, Ross; McNutt, Todd; Kazanzides, Peter; Wong, John

2018-05-01

The Small Animal Radiation Research Platform (SARRP) has been developed for conformal microirradiation with on-board cone beam CT (CBCT) guidance. The graphics processing unit (GPU)-accelerated Superposition-Convolution (SC) method for dose computation has been integrated into the treatment planning system (TPS) for SARRP. This paper describes the validation of the SC method for the kilovoltage energy by comparing with EBT2 film measurements and Monte Carlo (MC) simulations. MC data were simulated by EGSnrc code with 3 × 10 8 -1.5 × 10 9 histories, while 21 photon energy bins were used to model the 220 kVp x-rays in the SC method. Various types of phantoms including plastic water, cork, graphite, and aluminum were used to encompass the range of densities of mouse organs. For the comparison, percentage depth dose (PDD) of SC, MC, and film measurements were analyzed. Cross beam (x,y) dosimetric profiles of SC and film measurements are also presented. Correction factors (CFz) to convert SC to MC dose-to-medium are derived from the SC and MC simulations in homogeneous phantoms of aluminum and graphite to improve the estimation. The SC method produces dose values that are within 5% of film measurements and MC simulations in the flat regions of the profile. The dose is less accurate at the edges, due to factors such as geometric uncertainties of film placement and difference in dose calculation grids. The GPU-accelerated Superposition-Convolution dose computation method was successfully validated with EBT2 film measurements and MC calculations. The SC method offers much faster computation speed than MC and provides calculations of both dose-to-water in medium and dose-to-medium in medium. © 2018 American Association of Physicists in Medicine.

Evidence for effective interventions to reduce mental health-related stigma and discrimination in the medium and long term: systematic review.

PubMed

Mehta, N; Clement, S; Marcus, E; Stona, A-C; Bezborodovs, N; Evans-Lacko, S; Palacios, J; Docherty, M; Barley, E; Rose, D; Koschorke, M; Shidhaye, R; Henderson, C; Thornicroft, G

2015-11-01

Most research on interventions to counter stigma and discrimination has focused on short-term outcomes and has been conducted in high-income settings. To synthesise what is known globally about effective interventions to reduce mental illness-based stigma and discrimination, in relation first to effectiveness in the medium and long term (minimum 4 weeks), and second to interventions in low- and middle-income countries (LMICs). We searched six databases from 1980 to 2013 and conducted a multi-language Google search for quantitative studies addressing the research questions. Effect sizes were calculated from eligible studies where possible, and narrative syntheses conducted. Subgroup analysis compared interventions with and without social contact. Eighty studies (n = 422 653) were included in the review. For studies with medium or long-term follow-up (72, of which 21 had calculable effect sizes) median standardised mean differences were 0.54 for knowledge and -0.26 for stigmatising attitudes. Those containing social contact (direct or indirect) were not more effective than those without. The 11 LMIC studies were all from middle-income countries. Effect sizes were rarely calculable for behavioural outcomes or in LMIC studies. There is modest evidence for the effectiveness of anti-stigma interventions beyond 4 weeks follow-up in terms of increasing knowledge and reducing stigmatising attitudes. Evidence does not support the view that social contact is the more effective type of intervention for improving attitudes in the medium to long term. Methodologically strong research is needed on which to base decisions on investment in stigma-reducing interventions. © The Royal College of Psychiatrists 2015.

Evidence for effective interventions to reduce mental health-related stigma and discrimination in the medium and long term: systematic review

PubMed Central

Mehta, N.; Clement, S.; Marcus, E.; Stona, A.-C.; Bezborodovs, N.; Evans-Lacko, S.; Palacios, J.; Docherty, M.; Barley, E.; Rose, D.; Koschorke, M.; Shidhaye, R.; Henderson, C.; Thornicroft, G.

2015-01-01

Background Most research on interventions to counter stigma and discrimination has focused on short-term outcomes and has been conducted in high-income settings. Aims To synthesise what is known globally about effective interventions to reduce mental illness-based stigma and discrimination, in relation first to effectiveness in the medium and long term (minimum 4 weeks), and second to interventions in low- and middle-income countries (LMICs). Method We searched six databases from 1980 to 2013 and conducted a multi-language Google search for quantitative studies addressing the research questions. Effect sizes were calculated from eligible studies where possible, and narrative syntheses conducted. Subgroup analysis compared interventions with and without social contact. Results Eighty studies (n = 422 653) were included in the review. For studies with medium or long-term follow-up (72, of which 21 had calculable effect sizes) median standardised mean differences were 0.54 for knowledge and −0.26 for stigmatising attitudes. Those containing social contact (direct or indirect) were not more effective than those without. The 11 LMIC studies were all from middle-income countries. Effect sizes were rarely calculable for behavioural outcomes or in LMIC studies. Conclusions There is modest evidence for the effectiveness of anti-stigma interventions beyond 4 weeks follow-up in terms of increasing knowledge and reducing stigmatising attitudes. Evidence does not support the view that social contact is the more effective type of intervention for improving attitudes in the medium to long term. Methodologically strong research is needed on which to base decisions on investment in stigma-reducing interventions. PMID:26527664

Rapid identification of Clostridium species by high-pressure liquid chromatography.

PubMed Central

Harpold, D J; Wasilauskas, B L; O'Connor, M L

1985-01-01

High-pressure liquid chromatography was evaluated as a rapid means of identifying various species of clostridia. Isolates were inoculated into a defined medium and incubated aerobically for 1 h at 35 degrees C. The organisms were removed, and the supernatants were derivatized for 1 min at room temperature by the addition of o-phthalaldehyde. The total time required to run each chromatogram was approximately 50 min. Standardized peak heights for each medium component and any new peaks formed were calculated for each isolate and compared with those for uninoculated control medium. Multiple isolates of various Clostridium species gave consistent patterns of medium utilization that could be used for identification. This rapid method can easily be adapted for laboratory use and has the potential for automation. PMID:3905852

Properties of ΣQ*, ΞQ* and ΩQ* heavy baryons in cold nuclear matter

NASA Astrophysics Data System (ADS)

Azizi, K.; Er, N.

2018-02-01

The in-medium properties of the heavy spin-3/2 ΣQ*, ΞQ* and ΩQ* baryons with Q being b or c quark are investigated. The shifts in some spectroscopic parameters of these particles due to the saturated cold nuclear matter are calculated. The variations of those parameters with respect to the changes in the density of the cold nuclear medium are studied, as well. It is observed that the parameters of ΣQ* baryons are considerably affected by the nuclear matter compared to the ΞQ* and ΩQ* particles that roughly do not see the medium. The results obtained may be used in analyses of the data to be provided by the in-medium experiments like PANDA.

Quantum Mechanical Calculations in Collaborations with Experimental Chemistry: The Theoretical Organic Chemistry Perspective

NASA Astrophysics Data System (ADS)

Nguyen, Quynh Nhu Ngoc

The results of quantum chemical calculations reveal that polyanionic gallium-based cages accelerate cyclization reactions of pentadienyl alcohols by significantly increasing basicity of the substrate hydroxyl group. The energy barrier for cyclization of the pentadienyl cation after water loss is already low in the background reaction and is altered fairly little by the cage. The calculations for other non-alcohol substrates also suggest that the cage increases the basicity of amine and phosphine groups, though to a lesser extend comparing to the alcohol substrate. Due to their twisting patterns, alpha-helical peptides are known to have overall "macrodipoles" along the principal axes as the result of the backbone carbonyl groups pointing toward the C-terminus. As the dipoles have implications in helical bundles, interactions with lipid bilayers, and distribution of charge, chemists have long been interested in employing the macrodipole in modifications of peptides' catalytic activities. In this studied, we examined the impact of both global and local noncovalent interactions between peptide catalysts and substrates in the first transesterification step, in hope of designing a better peptide catalysts to aid in ester metabolism. Quantum mechanical calculations helped predict whether the targeted medium-sized cyclic peptide products would more likely be the major products, before the experimental team invested extensive resources and time to carry out the syntheses. Many systems were found to favor the medium-sized cyclic peptides, whereas one system was predicted to result in polycyclic product, and the latter experimental observations agreed with these predictions. Naturally occurring cyclic peptides display various biological activities due to their diverse structures. Understanding the dominant structures of these peptides could help give insight into protein-protein interactions or substrate-protein binding. With the experimental NMR data obtained for the synthesized peptides, dynamic simulations were used to sample a large conformational space, generating diverse conformer libraries. Quantum mechanical calculations were then used to determine the relative energies between the conformers, and to compute theoretical NMR data, which were then compared to the experimental values, to determine the best match conformers. Hydropersulfides are commonly found among many mammalian systems, and has recently gained more interest due to their greater nucleophilicity and reducing capacity compared to the related thiols. A series of quantum mechanical calculations were performed for small sulfur-containing molecules in order to help understand these biological compounds. First part of this chapter explores the basics of chemical properties and reactivity of hydropersulfides. The later sections further discuss the redox component of RSSH in generation of the radical RSS, which was found to be unreactive in the presence of O 2 and NO. Modeling the formation of these natural products in the absence of the enzymes has many of its own limitation, but understanding the inherent reactivity of the substrates could be beneficial to future enzymatic studies. Density functional theory calculations of mechanism of caryolene featured one mechanism with a base-catalyzed deprotonation/reprotonation sequence, while the other higher-energy mechanism involved intramolecular proton transfer and a secondary carbocation minimum. This result suggested the role of the enzyme in helping to avoid the secondary carbocation. Both pathways bypassed the concerted suprafacial/suprafacial [2+2] cycloadditions, which were not in violation of orbital symmetry due to their asynchronicity. Quantum mechanical calculations were used to determine theoretical 1H and 13C chemical shifts, which were then compared to the experimental NMR data to assign relative configurations for isohirsut-1-ene, isohirsut-4-ene, and tsukubadiene, which were previously isolated from engineered Streptomyces. Conformational searches and Boltzmann averaging were performed to address conformational flexibility in experimental NMR. The reactivity of macrocyclic bis-enones in Diels-Alder reactions was examined with quantum mechanical calculations to locate transition state structures and potential energy surfaces. Stepwise mechanisms appeared to be much lower in energy than the concerted pathways. Steric interactions and torsional strain helped explain product formations and why reactants that differed only by Z/E stereochemistry gave different product observation. The Ready group investigated the different approach to synthesizing nitrogen-containing heterocycles via dihydropyridine boronic ester intermediates, which was formed when pyridine boronic ester reacted with organometallic reagents in the presence of an acylating agent. The relative stereochemistry was initially assigned by comparison of experimental and computed chemical shifts, and the structure of the major product was later confirmed by X-ray crystallography. In the development of a stereo-controlled synthesis of australifungin, a natural products, only a small amount of the intermediate, which needed to undergo removal of protecting groups to yield the desired product, was obtained. There were worries that removing these protecting group might instead lead to undesired side product. However, the calculation results indicated that the desired product would still be more thermodynamically favored, giving confidence for the experimental work to proceed. (Abstract shortened by ProQuest.).

The calculation of rotor/fuselage interaction for two-dimensional bodies

NASA Technical Reports Server (NTRS)

Stremel, Paul M.

1990-01-01

Unsteady rotor wake interactions with the empennage, tail boom, and other aerodynamic surfaces have a significant influence on the aerodynamic performance of the helicopter, ride quality, and vibration. A Computational Fluid Dynamic (CFD) method for computing the aerodynamic interaction between an interacting vortex wake and the viscous flow about arbitrary 2-D bodies was developed to address this helicopter problem. The vorticity and flow field velocities are calculated on a body-fitted computational mesh using an uncoupled iterative solution. The interacting vortex wake is represented by an array of discrete vortices which, in turn, are represented by a finite core model. The evolution of the interacting vortex wake is calculated by Lagrangian techniques. The flow around circular and elliptic cylinders in the absence of an interacting vortex wake was calculated. These results compare very well with other numerical results and with results obtained from experiment and thereby demonstrate the accuracy of the viscous solution. The interaction of a simulated rotor wake with the flow about 2-D bodies, representing cross sections of fuselage components, was calculated to address the vortex interaction problem. The vortex interaction was calculated for the flow about a circular and an elliptic cylinder at 45 and 90 degrees incidence. The results demonstrate the significant variation in lift and drag on the 2-D bodies during the vortex interaction.

Interaction energy and itinerant ferromagnetism in a strongly interacting Fermi gas in the absence of molecule formation

DOE PAGES

He, Lianyi

2014-11-26

In this study, we investigate the interaction energy and the possibility of itinerant ferromagnetism in a strongly interacting Fermi gas at zero temperature in the absence of molecule formation. The interaction energy is obtained by summing the perturbative contributions of Galitskii-Feynman type to all orders in the gas parameter. It can be expressed by a simple phase-space integral of an in-medium scattering phase shift. In both three and two dimensions (3D and 2D), the interaction energy shows a maximum before reaching the resonance from the Bose-Einstein condensate side, which provides a possible explanation of the experimental measurements of the interactionmore » energy. This phenomenon can be theoretically explained by the qualitative change of the nature of the binary interaction in the medium. The appearance of an energy maximum has significant effects on the itinerant ferromagnetism. In 3D, the ferromagnetic transition is reentrant and itinerant ferromagnetism exists in a narrow window around the energy maximum. In 2D, the present theoretical approach suggests that itinerant ferromagnetism does not exist, which reflects the fact that the energy maximum becomes much lower than the energy of the fully polarized state.« less

Forces exerted by a correlated fluid on embedded inclusions.

PubMed

Bitbol, Anne-Florence; Fournier, Jean-Baptiste

2011-06-01

We investigate the forces exerted on embedded inclusions by a fluid medium with long-range correlations, described by an effective scalar field theory. Such forces are the basis for the medium-mediated Casimir-like force. To study these forces beyond thermal average, it is necessary to define them in each microstate of the medium. Two different definitions of these forces are currently used in the literature. We study the assumptions underlying them. We show that only the definition that uses the stress tensor of the medium gives the sought-after force exerted by the medium on an embedded inclusion. If a second inclusion is embedded in the medium, the thermal average of this force gives the usual Casimir-like force between the two inclusions. The other definition can be used in the different physical case of an object that interacts with the medium without being embedded in it. We show in a simple example that the two definitions yield different results for the variance of the Casimir-like force.

Physics Division annual review, 1 April 1980-31 March 1981

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

Not Available

1982-06-01

Progress in nuclear physics research is reported in the following areas: medium-energy physics (pion reaction mechanisms, high-resolution studies and nuclear structure, and two-nucleon physics with pions and electrons); heavy-ion research at the tandem and superconducting linear accelerator (resonant structure in heavy-ion reactions, fusion cross sections, high angular momentum states in nuclei, and reaction mechanisms and distributions of reaction strengths); charged-particle research; neutron and photonuclear physics; theoretical physics (heavy-ion direct-reaction theory, nuclear shell theory and nuclear structure, nuclear matter and nuclear forces, intermediate-energy physics, microscopic calculations of high-energy collisions of heavy ions, and light ion direct reactions); the superconducting linac; acceleratormore » operations; and GeV electron linac. Progress in atomic and molecular physics research is reported in the following areas: dissociation and other interactions of energetic molecular ions in solid and gaseous targets, beam-foil research and collision dynamics of heavy ions, photoionization- photoelectron research, high-resolution laser rf spectroscopy with atomic and molecular beams, moessbauer effect research, and theoretical atomic physics. Studies on interactions of energetic particles with solids are also described. Publications are listed. (WHK)« less

Comparative investigation of pure and mixed rare gas atoms on coronene molecules.

PubMed

Rodríguez-Cantano, Rocío; Bartolomei, Massimiliano; Hernández, Marta I; Campos-Martínez, José; González-Lezana, Tomás; Villarreal, Pablo; Pérez de Tudela, Ricardo; Pirani, Fernando; Hernández-Rojas, Javier; Bretón, José

2017-01-21

Clusters formed by the combination of rare gas (RG) atoms of He, Ne, Ar, and Kr on coronene have been investigated by means of a basin-hopping algorithm and path integral Monte Carlo calculations at T = 2 K. Energies and geometries have been obtained and the role played by the specific RG-RG and RG-coronene interactions on the final results is analysed in detail. Signatures of diffuse behavior of the He atoms on the surface of the coronene are in contrast with the localization of the heavier species, Ar and Kr. The observed coexistence of various geometries for Ne suggests the motion of the RG atoms on the multi-well potential energy surface landscape offered by the coronene. Therefore, the investigation of different clusters enables a comparative analysis of localized versus non-localized features. Mixed Ar-He-coronene clusters have also been considered and the competition of the RG atoms to occupy the docking sites on the molecule is discussed. All the obtained information is crucial to assess the behavior of coronene, a prototypical polycyclic aromatic hydrocarbon clustering with RG atoms at a temperature close to that of interstellar medium, which arises from the critical balance of the interactions involved.

Nearly frictionless faulting by unclamping in long-term interaction models

USGS Publications Warehouse

Parsons, T.

2002-01-01

In defiance of direct rock-friction observations, some transform faults appear to slide with little resistance. In this paper finite element models are used to show how strain energy is minimized by interacting faults that can cause long-term reduction in fault-normal stresses (unclamping). A model fault contained within a sheared elastic medium concentrates stress at its end points with increasing slip. If accommodating structures free up the ends, then the fault responds by rotating, lengthening, and unclamping. This concept is illustrated by a comparison between simple strike-slip faulting and a mid-ocean-ridge model with the same total transform length; calculations show that the more complex system unclapms the transforms and operates at lower energy. In another example, the overlapping San Andreas fault system in the San Francisco Bay region is modeled; this system is complicated by junctions and stepovers. A finite element model indicates that the normal stress along parts of the faults could be reduced to hydrostatic levels after ???60-100 k.y. of system-wide slip. If this process occurs in the earth, then parts of major transform fault zones could appear nearly frictionless.

Comparison of a reduced carbohydrate and reduced fat diet for LDL, HDL, and VLDL subclasses during 9-months of weight maintenance subsequent to weight loss.

PubMed

LeCheminant, James D; Smith, Bryan K; Westman, Eric C; Vernon, Mary C; Donnelly, Joseph E

2010-06-01

This study compared LDL, HDL, and VLDL subclasses in overweight or obese adults consuming either a reduced carbohydrate (RC) or reduced fat (RF) weight maintenance diet for 9 months following significant weight loss. Thirty-five (21 RC; 14 RF) overweight or obese middle-aged adults completed a 1-year weight management clinic. Participants met weekly for the first six months and bi-weekly thereafter. Meetings included instruction for diet, physical activity, and behavior change related to weight management. Additionally, participants followed a liquid very low-energy diet of approximately 2092 kJ per day for the first three months of the study. Subsequently, participants followed a dietary plan for nine months that targeted a reduced percentage of carbohydrate (approximately 20%) or fat (approximately 30%) intake and an energy intake level calculated to maintain weight loss. Lipid subclasses using NMR spectroscopy were analyzed prior to weight loss and at multiple intervals during weight maintenance. Body weight change was not significantly different within or between groups during weight maintenance (p>0.05). The RC group showed significant increases in mean LDL size, large LDL, total HDL, large and small HDL, mean VLDL size, and large VLDL during weight maintenance while the RF group showed increases in total HDL, large and small HDL, total VLDL, and large, medium, and small VLDL (p<0.05). Group*time interactions were significant for large and medium VLDL (p>0.05). Some individual lipid subclasses improved in both dietary groups. Large and medium VLDL subclasses increased to a greater extent across weight maintenance in the RF group.

Investigation of Local Structures in Cation-ordered Microwave Dielectric A Solid-state NMR and First Principle Calculation Study

NASA Astrophysics Data System (ADS)

Kalfarisi, Rony G.

Solid-state Nuclear Magnetic Resonance (ssNMR) spectroscopy has proven to be a powerful method to probe the local structure and dynamics of a system. In powdered solids, the nuclear spins experience various anisotropic interactions which depend on the molecular orientation. These anisotropic interactions make ssNMR very useful as they give a specific appearance to the resonance lines of the spectra. The position and shape of these resonance lines can be related to local structure and dynamics of the system under study. My research interest has focused around studying local structures and dynamics of quadrupolar nuclei in materials using ssNMR spectroscopy. 7Li and 93Nb ssNMR magic angle spinning (MAS) spectra, acquired at 17.6 and 7.06 T, have been used to evaluate the structural and dynamical properties of cation-ordered microwave dielectric materials. Microwave dielectric materials are essential in the application of wireless telecommunication, biomedical engineering, and other scientific and industrial implementations that use radio and microwave signals. The study of the local environment with respect to average structure, such as X-ray diffraction study, is essential for the better understanding of the correlations between structures and properties of these materials. The investigation for short and medium range can be performed with the use of ssNMR techniques. Even though XRD results show cationic ordering at the B-site (third coordination sphere), NMR spectra show a presence of disorder materials. This was indicated by the observation of a distribution in NMR parameters derived from experimental . {93}Nb NMR spectraand supported by theoretical calculations.

Exploring resistance mechanisms of HCV NS3/4A protease mutations to MK5172: insight from molecular dynamics simulations and free energy calculations.

PubMed

Guan, Yan; Sun, Huiyong; Pan, Peichen; Li, Youyong; Li, Dan; Hou, Tingjun

2015-09-01

Mutations at a number of key positions (Ala156, Asp168 and Arg155) of the HCV NS3/4A protease can induce medium to high resistance to MK5172. The emergence of the resistant mutations seriously compromises the antiviral therapy efficacy to hepatitis C. In this study, molecular dynamics (MD) simulations, free energy calculations and free energy decomposition were used to explore the interaction profiles of MK5172 with the wild-type (WT) and four mutated (R155K, D168A, D168V and A156T) HCV NS3/4A proteases. The binding free energies predicted by Molecular Mechanics/Generalized Born Solvent Area (MM/GBSA) are consistent with the trend of the experimental drug resistance data. The free energy decomposition analysis shows that the resistant mutants may change the protein-MK5172 interaction profiles, resulting in the unbalanced energetic distribution amongst the catalytic triad, the strand 135-139 and the strand 154-160. Moreover, umbrella sampling (US) simulations were employed to elucidate the unbinding processes of MK5172 from the active pockets of the WT HCV NS3/4A protease and the four mutants. The US simulations demonstrate that the dissociation pathways of MK5172 escaping from the binding pockets of the WT and mutants are quite different, and it is quite possible that MK5172 will be harder to get access to the correct binding sites of the mutated proteases, thereafter leading to drug resistance.

Apker Award Recipient: Renormalization-Group Study of Helium Mixtures Immersed in a Porous Medium

NASA Astrophysics Data System (ADS)

Lopatnikova, Anna

1998-03-01

Superfluidity and phase separation in ^3He-^4He mixtures immersed in aerogel are studied by renormalization-group theory. Firstly, the theory is applied to jungle-gym (non-random) aerogel.(A. Lopatnikova and A.N. Berker, Phys. Rev. B 55, 3798 (1997).) This calculation is conducted via the coupled renormalization-group mappings of interactions near and away from aerogel. Superfluidity at very low ^4He concentrations and a depressed tricritical temperature are found at the onset of superfludity. A superfluid-superfluid phase separation, terminating at an isolated critical point, is found entirely within the superfluid phase. Secondly, the theory is applied to true aerogel, which has quenched disorder at both atomic and geometric levels.(A. Lopatnikova and A.N. Berker, Phys. Rev. B 56, 11865 (1997).) This calculation is conducted via the coupled renormalization-group mappings, near and away from aerogel, of quenched probability distributions of random interactions. Random-bond effects on superfluidity onset and random-field effects on superfluid phase separation are seen. The quenched randomness causes the λ line of second-order phase transitions of superfluidity onset to reach zero temperature, in agreement with general prediction and experiments. Based on these studies, the experimentally observed(S.B. Kim, J. Ma, and M.H.W. Chan, Phys. Rev. Lett. 71, 2268 (1993); N. Mulders and M.H.W. Chan, Phys. Rev. Lett. 75, 3705 (1995).) distinctive characteristics of ^3He-^4He mixtures in aerogel are related to the aerogel properties of connectivity, tenuousness, and atomic and geometric randomness.

Tracing Thermal Creep Through Granular Media

NASA Astrophysics Data System (ADS)

Steinpilz, Tobias; Teiser, Jens; Koester, Marc; Schywek, Mathias; Wurm, Gerhard

2017-08-01

A temperature gradient within a granular medium at low ambient pressure drives a gas flow through the medium by thermal creep. We measured the resulting air flow for a sample of glass beads with particle diameters between 290 μ m and 420 μ m for random close packing. Ambient pressure was varied between 1 Pa and 1000 Pa. The gas flow was quantified by means of tracer particles during parabolic flights. The flow varies systematically with pressure between 0.2 cm/s and 6 cm/s. The measured flow velocities are in quantitative agreement to model calculations that treat the granular medium as a collection of linear capillaries.

Dispersive distortions of a radio-wave pulse in a double-resonance gaseous medium

NASA Astrophysics Data System (ADS)

Strelkov, G. M.

2017-03-01

The problem on dispersive distortions of an electromagnetic pulse in a gaseous medium with two isolated resonant frequencies is solved analytically. The solution is obtained directly in the time region and, thus, is not the result of calculations of the Fourier integral. Without introducing additional assumptions, it is possible to study the regularities and the features of the process of propagation of pulses caused by variations of both their initial characteristics and the parameters of the propagation medium. As an example, the solution is applied to describe the distortions of the two-frequency pulse of subnanosecond duration in the terrestrial atmosphere.

Comparison of Mycobacterium tuberculosis culture using liquid culture medium and Lowenstein Jensen medium in abdominal tuberculosis.

PubMed

Shah, Sudeep R; Shenai, Shubhada; Desai, Devendra C; Joshi, Anand; Abraham, Philip; Rodrigues, Camilla

2010-11-01

Traditionally, the Lowenstein Jensen (LJ) medium has been used for culturing Mycobacterium tuberculosis. In abdominal tuberculosis (TB), the reported yield from tissue culture is between 20% and 60%. Liquid cultures are reported to give a higher yield but there is little data available in abdominal TB. To compare the yield of TB culture with BACTEC 460TB liquid medium and LJ medium for patients with suspected abdominal TB and determine cost effectiveness. This prospective study was done in consecutive cases with clinical, radiological, endoscopic/surgical, and histological suspicion of abdominal TB. Tissue biopsies obtained at colonoscopy or surgery were processed and plated on LJ medium as well as the BACTEC 460TB system. NAP (ρ-nitro-α-acetylamino-β-hydroxy-propiophenone) differentiation was carried out to determine species. The cost of each method and cost per yield were calculated. Of the 29 cases, 22 cases (76%) were positive on BACTEC 460TB culture while 14 (48%) were positive on LJ medium giving a 64% increment in yield. However, the culture of one patient grew on LJ medium, where the BACTEC 460TB was negative. The additional cost of BACTEC 460TB is Rs. 460 and LJ is Rs. 40. Samples from patients with abdominal TB should be processed on both liquid and LJ medium. For high yield, the use of a liquid culture medium system is essential.

The technique of numerical research of cooling medium flow in the water jacket of self-lubricated bearing

NASA Astrophysics Data System (ADS)

Raikovskiy, N. A.; Tretyakov, A. V.; Abramov, S. A.; Nazmeev, F. G.; Pavlichev, S. V.

2017-08-01

The paper presents a numerical study method of the cooling medium flowing in the water jacket of self-lubricating sliding bearing based on ANSYS CFX. The results of numerical calculations have satisfactory convergence with the empirical data obtained on the testbed. Verification data confirm the possibility of applying this numerical technique for the analysis of coolant flowings in the self-lubricating bearing containing the water jacket.

Numerical simulation of rotating body movement in medium with various densities

NASA Astrophysics Data System (ADS)

Tenenev, Valentin A.; Korolev, Stanislav A.; Rusyak, Ivan G.

2016-10-01

The paper proposes an approach to calculate the motion of rotating bodies in resisting medium by solving the Kirchhoff equations of motion in a coordinate system moving with the body and in determination of aerodynamic characteristics of the body with a given geometry by solving the Navier-Stokes equations. We present the phase trajectories of the perturbed motion of a rotating projectile in media with different densities: gas and liquid.

Role of block copolymer-micelle nanocomposites in dye-bovine serum albumin binding: a combined experimental and molecular docking study.

PubMed

Manna, Anamika; Chakravorti, Sankar

2013-02-02

The role of a nanocomposite (NC), composed of intercalation of the diblock copolymer polyethylene-b-polyethylene glycol (PE-b-PEG) with the anionic surfactant sodium dodecyl sulphate (SDS), on the binding characteristics of bovine serum albumin (BSA) with a dye (1,8-naphthalimide, NAPMD) compared to the interaction between the same players in aqueous solution has been examined comprehensively in this paper. Static quenching due to complex formation in both NC medium and in buffer solution has been inferred on the basis of considerable changes in the absorption spectra of BSA on addition of NAPMD, of which the interaction is found to be stronger in NC medium. Temperature dependent fluorescence data also confirm an effective static quenching and stronger binding of NAPMD with BSA in NC medium. Peptide chain unfolding and denaturing of BSA in NC medium have been confirmed from steady state and time-resolved emission and circular dichroism data. This exposes both the tyrosine and tryptophan moieties as a unique case. Increased energy transfer between NAPMD and the tryptophan residue in the unfolded form of BSA helps in the appearance of tyrosine fluorescence in NC medium by quenching the tryptophan band. Ionization of the hydroxyl group in the aromatic ring of the tyrosine residue by the PEG group present in the NC medium produces a downshift of the tyrosine fluorescence band. The use of site selective markers confirms that NAPMD is near tryptophan in Sudlow's site I in NC medium and in buffer solution it is away from tryptophan in Sudlow's site II. The theoretical docking studies also vindicate the results of binding of NAPMD with BSA in site I or site II in NC and buffer media, as observed from different emission experiments including the site selective markers study.

Propagation of electromagnetic waves in a turbulent medium

NASA Technical Reports Server (NTRS)

Canuto, V. M.; Hartke, G. J.

1986-01-01

Theoretical modeling of the wealth of experimental data on propagation of electromagnetic radiation through turbulent media has centered on the use of the Heisenberg-Kolmogorov (HK) model, which is, however, valid only for medium to small sized eddies. Ad hoc modifications of the HK model to encompass the large-scale region of the eddy spectrum have been widely used, but a sound physical basis has been lacking. A model for large-scale turbulence that was recently proposed is applied to the above problem. The spectral density of the temperature field is derived and used to calculate the structure function of the index of refraction N. The result is compared with available data, yielding a reasonably good fit. The variance of N is also in accord with the data. The model is also applied to propagation effects. The phase structure function, covariance of the log amplitude, and variance of the log intensity are calculated. The calculated phase structure function is in excellent agreement with available data.

Interactive TV: An Effective Instructional Mode for Adult Learners

ERIC Educational Resources Information Center

Chen, Li-Ling; Iris, Carole

2004-01-01

The inclusion of interactive television (iTV) programs for learning is an emerging genre in education. Literature has concluded that any aspect of learning requires some form of interaction or feedback to be most effective. As television (TV) evolves from being a passive to an active medium, it has the potential to engage learners and reach a mass…

The Effect of Interactivity with a Music Video Game on Second Language Vocabulary Recall

ERIC Educational Resources Information Center

deHaan, Jonathan; Reed, W. Michael; Kuwada, Katsuko

2010-01-01

Video games are potential sources of second language input; however, the medium's fundamental characteristic, interactivity, has not been thoroughly examined in terms of its effect on learning outcomes. This experimental study investigated to what degree, if at all, video game interactivity would help or hinder the noticing and recall of second…

Frequency Tunable Wire Lasers

NASA Technical Reports Server (NTRS)

Hu, Qing (Inventor)

2013-01-01

The present invention provides frequency tunable solid-state radiation-generating devices, such as lasers and amplifiers, whose active medium has a size in at least one transverse dimension (e.g., its width) that is much smaller than the wavelength of radiation generated and/or amplified within the active medium. In such devices, a fraction of radiation travels as an evanescent propagating mode outside the active medium. It has been discovered that in such devices the radiation frequency can be tuned by the interaction of a tuning mechanism with the propagating evanescent mode.

Numerical Investigations of Moisture Distribution in a Selected Anisotropic Soil Medium

NASA Astrophysics Data System (ADS)

Iwanek, M.

2018-01-01

The moisture of soil profile changes both in time and space and depends on many factors. Changes of the quantity of water in soil can be determined on the basis of in situ measurements, but numerical methods are increasingly used for this purpose. The quality of the results obtained using pertinent software packages depends on appropriate description and parameterization of soil medium. Thus, the issue of providing for the soil anisotropy phenomenon gains a big importance. Although anisotropy can be taken into account in many numerical models, isotopic soil is often assumed in the research process. However, this assumption can be a reason for incorrect results in the simulations of water changes in soil medium. In this article, results of numerical simulations of moisture distribution in the selected soil profile were presented. The calculations were conducted assuming isotropic and anisotropic conditions. Empirical verification of the results obtained in the numerical investigations indicated statistical essential discrepancies for the both analyzed conditions. However, better fitting measured and calculated moisture values was obtained for the case of providing for anisotropy in the simulation model.

Comparison of thermal signatures of a mine buried in mineral and organic soils

NASA Astrophysics Data System (ADS)

Lamorski, K.; Pregowski, Piotr; Swiderski, Waldemar; Usowicz, B.; Walczak, R. T.

2001-10-01

Values of thermal signature of a mine buried in soils, which ave different properties, were compared using mathematical- statistical modeling. There was applied a model of transport phenomena in the soil, which takes into consideration water and energy transfer. The energy transport is described using Fourier's equation. Liquid phase transport of water is calculated using Richard's model of water flow in porous medium. For the comparison, there were selected two soils: mineral and organic, which differs significantly in thermal and hydrological properties. The heat capacity of soil was estimated using de Vries model. The thermal conductivity was calculated using a statistical model, which incorprates fundamental soil physical properties. The model of soil thermal conductivity was built on the base of heat resistance, two Kirchhoff's laws and polynomial distribution. Soil hydrological properties were described using Mualem-van Genuchten model. The impact of thermal properties of the medium in which a mien had been placed on its thermal signature in the conditions of heat input was presented. The dependence was stated between observed thermal signature of a mine and thermal parameters of the medium.

Free energy of a heavy quark-antiquark pair in a thermal medium from AdS/CFT

NASA Astrophysics Data System (ADS)

Ewerz, Carlo; Kaczmarek, Olaf; Samberg, Andreas

2018-03-01

We study the free energy of a heavy quark-antiquark pair in a thermal medium using the AdS/CFT correspondence. We point out that a commonly used prescription for calculating this quantity leads to a temperature dependence in conflict with general properties of the free energy. The problem originates from a particular way of subtracting divergences. We argue that the commonly used prescription gives rise to the binding energy rather than the free energy. We consider a different subtraction procedure and show that the resulting free energy is well-behaved and in qualitative agreement with results from lattice QCD. The free energy and the binding energy of the quark pair are computed for N=4 supersymmetric Yang-Mills theory and several non-conformal theories. We also calculate the entropy and the internal energy of the pair in these theories. Using the consistent subtraction, we further study the free energy, entropy, and internal energy of a single heavy quark in the thermal medium for various theories. Also here the results are found to be in qualitative agreement with lattice QCD results.

Vibrational Spectroscopy of Ions and Radicals Present in the Interstellar Medium and in Planetary Atmospheres: A Theoretical Study

NASA Technical Reports Server (NTRS)

Chaban, Galina M.

2004-01-01

Anharmonic vibrational frequencies and intensities are calculated for OH(H2O)n and H(H2O)n radicals (that form on icy particles of the interstellar medium), HCO radical (the main intermediate in the synthesis of organic molecules in space), NH2(-) and C2H(-) anions, H5(+) cation, and other systems relevant to interstellar chemistry. In addition to pure ions and radicals, their complexes with water are studied to assess the effects of water environment on infrared spectra. The calculations are performed using the correlation-corrected vibrational self-consistent field (CC-VSCF) method with ab initio potential surfaces at the MP2 and CCSD(T) levels. Fundamental, overtone, and combination excitations are computed. The results are in good agreement with available experimental data and provide reliable predictions for vibrational excitations not yet measured in laboratory experiments. The data should be useful for interpretation of astronomically observed spectra and identification of ions and radicals present in the interstellar medium and in planetary atmospheres.

Evidence for an extensive intracluster medium from radio observations of distant Abell clusters

NASA Technical Reports Server (NTRS)

Hanisch, R. J.; Ulmer, M. P.

1985-01-01

Observations have been made of 18 distance class 5 and 6 Abell clusters of galaxies using the VLA in its 'C' configuration at a frequency of 1460 MHz. Half of the clusters in the sample are confirmed or probable sources of X-ray emission. All the detected radio sources with flux densities above 10 mJy are reported, and information is provided concerning the angular extent of the sources, as well as the most likely optical identification. The existence of an extensive intracluster medium is inferred by identifying extended/distorted radio sources with galaxies whose apparent magnitudes are consistent with their being cluster members and that are at projected distances of 3-4 Abell radii (6-8 Mpc) from the nearest cluster center. By requiring that the radio sources are confined by the ambient medium, the ambient density is calculated and the total cluster mass is estimated. As a sample calculation, a wide-angle-tail radio source some 5 Mpc from the center of Abell 348 is used to estimate these quantities.

The heliosphere's interstellar interaction: no bow shock.

PubMed

McComas, D J; Alexashov, D; Bzowski, M; Fahr, H; Heerikhuisen, J; Izmodenov, V; Lee, M A; Möbius, E; Pogorelov, N; Schwadron, N A; Zank, G P

2012-06-08

As the Sun moves through the local interstellar medium, its supersonic, ionized solar wind carves out a cavity called the heliosphere. Recent observations from the Interstellar Boundary Explorer (IBEX) spacecraft show that the relative motion of the Sun with respect to the interstellar medium is slower and in a somewhat different direction than previously thought. Here, we provide combined consensus values for this velocity vector and show that they have important implications for the global interstellar interaction. In particular, the velocity is almost certainly slower than the fast magnetosonic speed, with no bow shock forming ahead of the heliosphere, as was widely expected in the past.

Estimation of viscosity based on transverse momentum correlations

NASA Astrophysics Data System (ADS)

Sharma, Monika

2010-02-01

The heavy ion program at RHIC created a paradigm shift in the exploration of strongly interacting hot and dense matter. An important milestone achieved is the discovery of the formation of strongly interacting matter which seemingly flows like a perfect liquid at temperatures on the scale of T ˜ 2 x10^12 K [1]. As a next step, we consider measurements of transport coefficients such as kinematic, shear or bulk viscosity? Many calculations based on event anisotropy measurements indicate that the shear viscosity to the entropy density ratio (η/s) of the fluid formed at RHIC is significantly below that of all known fluids including the superfluid ^4He [2]. Precise determination of η/s ratio is currently a subject of extensive study. We present an alternative technique for the determination of medium viscosity proposed by Gavin and Aziz [3]. Preliminary results of measurements of the evolution of the transverse momentum correlation function with collision centrality of Au + Au interactions at √sNN = 200 GeV will be shown. We present results on differential version of the correlation measure and describe its use for the experimental determination of η/s.[4pt] [1] J. Adams et al., [STAR Collaboration], Nucl. Phys. A 757 (2005) 102.[0pt] [2] R. A. Lacey et al., Phys. Rev. Lett. 98 (2007) 092301.[0pt] [3] S. Gavin and M. Abdel-Aziz, Phys. Rev. Lett. 97 (2006) 162302. )

Calculating the Motion and Direction of Flux Transfer Events with Cluster

NASA Technical Reports Server (NTRS)

Collado-Vega, Y. M.; Sibeck, D. G.

2012-01-01

For many years now, the interactions of the solar wind plasma with the Earth's magnetosphere has been one of the most important problems for Space Physics. It is very important that we understand these processes because the high-energy particles and also the solar wind energy that cross the magneto sphere could be responsible for serious damage to our technological systems. The solar wind is inherently a dynamic medium, and the particles interaction with the Earth's magnetosphere can be steady or unsteady. Unsteady interaction include transient processes like bursty magnetic reconnection. Flux Transfer Events (FTEs) are magnetopause signatures that usually occur during transient times of reconnection. They exhibit bipolar signatures in the normal component of the magnetic field. We use multi-point timing analysis to determine the orientation and motion of ux transfer events (FTEs) detected by the four Cluster spacecraft on the high-latitude dayside and flank magnetopause during 2002 and 2003. During these years, the distances between the Cluster spacecraft were greater than 1000 km, providing the tetrahedral configuration needed to select events and determine velocities. Each velocity and location will be examined in detail and compared to the velocities and locations determined by the predictions of the component and antiparallel reconnection models for event formation, orientation, motion, and acceleration for a wide range of spacecraft locations and solar wind conditions.

Dual origin of pairing in nuclei

NASA Astrophysics Data System (ADS)

Idini, A.; Potel, G.; Barranco, F.; Vigezzi, E.; Broglia, R. A.

2016-11-01

The pairing correlations of the nucleus 120Sn are calculated by solving the Nambu-Gor'kov equations, including medium polarization effects resulting from the interweaving of quasiparticles, spin and density vibrations, taking into account, within the framework of nuclear field theory (NFT), processes leading to self-energy and vertex corrections and to the induced pairing interaction. From these results one can not only demonstrate the inevitability of the dual origin of pairing in nuclei, but also extract information which can be used at profit to quantitatively disentangle the contributions to the pairing gap Δ arising from the bare and from the induced pairing interaction. The first is the strong 1 S 0 short-range NN potential resulting from meson exchange between nucleons moving in time reversal states within an energy range of hundreds of MeV from the Fermi energy. The second results from the exchange of vibrational modes between nucleons moving within few MeV from the Fermi energy. Short- ( v p bare) and long-range ( v p ind) pairing interactions contribute essentially equally to nuclear Cooper pair stability. That is to the breaking of gauge invariance in open-shell superfluid nuclei and thus to the order parameter, namely to the ground state expectation value of the pair creation operator. In other words, to the emergent property of generalized rigidity in gauge space, and associated rotational bands and Cooper pair tunneling between members of these bands.

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

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

NASA Astrophysics Data System (ADS)

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

2017-04-01

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