WorldWideScience

Sample records for single n-body simulations

  1. Dissipative N-body simulations of the formation of single galaxies in a cold dark-matter cosmology

    International Nuclear Information System (INIS)

    Ewell, M.W. Jr.

    1988-01-01

    The details of an N-body code designed specifically to study the collapse of a single protogalaxy are presented. This code uses a spherical harmonic expansion to model the gravity and a sticky-particle algorithm to model the gas physics. It includes external tides and cosmologically realistic boundary conditions. The results of twelve simulations using this code are given. The initial conditions for these runs use mean-density profiles and r.m.s. quadrupoles and tides taken from the CDM power spectrum. The simulations start when the center of the perturbation first goes nonlinear, and continue until a redshift Z ∼ 1-2. The resulting rotation curves are approximately flat out to 100 kpc, but do show some structure. The circular velocity is 200 km/sec around a 3σ peak. The final systems have λ approx-equal .03. The angular momentum per unit mass of the baryons implies disk scale lengths of 1-3 kpc. The tidal forces are strong enough to profoundly influence the collapse geometry. In particular, the usual assumption, that tidal torques produce a system approximately in solid-body rotation, is shown to be seriously in error

  2. Cosmological N -body simulations including radiation perturbations

    DEFF Research Database (Denmark)

    Brandbyge, Jacob; Rampf, Cornelius; Tram, Thomas

    2017-01-01

    CosmologicalN-body simulations are the standard tools to study the emergence of the observed large-scale structure of the Universe. Such simulations usually solve for the gravitational dynamics of matter within the Newtonian approximation, thus discarding general relativistic effects such as the ......CosmologicalN-body simulations are the standard tools to study the emergence of the observed large-scale structure of the Universe. Such simulations usually solve for the gravitational dynamics of matter within the Newtonian approximation, thus discarding general relativistic effects...

  3. Post-Newtonian N-body simulations

    Science.gov (United States)

    Aarseth, Sverre J.

    2007-06-01

    We report on the first fully consistent conventional cluster simulation which includes terms up to the third-order post-Newtonian approximation. Numerical problems for treating extremely energetic binaries orbiting a single massive object are circumvented by employing the special `wheel-spoke' regularization method of Zare which has not been used in large-N simulations before. Idealized models containing N = 1 × 105 particles of mass 1Msolar with a central black hole (BH) of 300Msolar have been studied on GRAPE-type computers. An initial half-mass radius of rh ~= 0.1 pc is sufficiently small to yield examples of relativistic coalescence. This is achieved by significant binary shrinkage within a density cusp environment, followed by the generation of extremely high eccentricities which are induced by Kozai cycles and/or resonant relaxation. More realistic models with white dwarfs and 10 times larger half-mass radii also show evidence of general relativity effects before disruption. An experimentation with the post-Newtonian terms suggests that reducing the time-scales for activating the different orders progressively may be justified for obtaining qualitatively correct solutions without aiming for precise predictions of the final gravitational radiation wave form. The results obtained suggest that the standard loss-cone arguments underestimate the swallowing rate in globular clusters containing a central BH.

  4. Cosmological N-body simulations with generic hot dark matter

    DEFF Research Database (Denmark)

    Brandbyge, Jacob; Hannestad, Steen

    2017-01-01

    We have calculated the non-linear effects of generic fermionic and bosonic hot dark matter components in cosmological N-body simulations. For sub-eV masses, the non-linear power spectrum suppression caused by thermal free-streaming resembles the one seen for massive neutrinos, whereas for masses...

  5. Relativistic initial conditions for N-body simulations

    Energy Technology Data Exchange (ETDEWEB)

    Fidler, Christian [Catholic University of Louvain—Center for Cosmology, Particle Physics and Phenomenology (CP3) 2, Chemin du Cyclotron, B-1348 Louvain-la-Neuve (Belgium); Tram, Thomas; Crittenden, Robert; Koyama, Kazuya; Wands, David [Institute of Cosmology and Gravitation, University of Portsmouth, Portsmouth PO1 3FX (United Kingdom); Rampf, Cornelius, E-mail: christian.fidler@uclouvain.be, E-mail: thomas.tram@port.ac.uk, E-mail: rampf@thphys.uni-heidelberg.de, E-mail: robert.crittenden@port.ac.uk, E-mail: kazuya.koyama@port.ac.uk, E-mail: david.wands@port.ac.uk [Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 16, D–69120 Heidelberg (Germany)

    2017-06-01

    Initial conditions for (Newtonian) cosmological N-body simulations are usually set by re-scaling the present-day power spectrum obtained from linear (relativistic) Boltzmann codes to the desired initial redshift of the simulation. This back-scaling method can account for the effect of inhomogeneous residual thermal radiation at early times, which is absent in the Newtonian simulations. We analyse this procedure from a fully relativistic perspective, employing the recently-proposed Newtonian motion gauge framework. We find that N-body simulations for ΛCDM cosmology starting from back-scaled initial conditions can be self-consistently embedded in a relativistic space-time with first-order metric potentials calculated using a linear Boltzmann code. This space-time coincides with a simple ''N-body gauge'' for z < 50 for all observable modes. Care must be taken, however, when simulating non-standard cosmologies. As an example, we analyse the back-scaling method in a cosmology with decaying dark matter, and show that metric perturbations become large at early times in the back-scaling approach, indicating a breakdown of the perturbative description. We suggest a suitable ''forwards approach' for such cases.

  6. ZENO: N-body and SPH Simulation Codes

    Science.gov (United States)

    Barnes, Joshua E.

    2011-02-01

    The ZENO software package integrates N-body and SPH simulation codes with a large array of programs to generate initial conditions and analyze numerical simulations. Written in C, the ZENO system is portable between Mac, Linux, and Unix platforms. It is in active use at the Institute for Astronomy (IfA), at NRAO, and possibly elsewhere. Zeno programs can perform a wide range of simulation and analysis tasks. While many of these programs were first created for specific projects, they embody algorithms of general applicability and embrace a modular design strategy, so existing code is easily applied to new tasks. Major elements of the system include: Structured data file utilities facilitate basic operations on binary data, including import/export of ZENO data to other systems.Snapshot generation routines create particle distributions with various properties. Systems with user-specified density profiles can be realized in collisionless or gaseous form; multiple spherical and disk components may be set up in mutual equilibrium.Snapshot manipulation routines permit the user to sift, sort, and combine particle arrays, translate and rotate particle configurations, and assign new values to data fields associated with each particle.Simulation codes include both pure N-body and combined N-body/SPH programs: Pure N-body codes are available in both uniprocessor and parallel versions.SPH codes offer a wide range of options for gas physics, including isothermal, adiabatic, and radiating models. Snapshot analysis programs calculate temporal averages, evaluate particle statistics, measure shapes and density profiles, compute kinematic properties, and identify and track objects in particle distributions.Visualization programs generate interactive displays and produce still images and videos of particle distributions; the user may specify arbitrary color schemes and viewing transformations.

  7. Relativistic N-body simulations with massive neutrinos

    Science.gov (United States)

    Adamek, Julian; Durrer, Ruth; Kunz, Martin

    2017-11-01

    Some of the dark matter in the Universe is made up of massive neutrinos. Their impact on the formation of large scale structure can be used to determine their absolute mass scale from cosmology, but to this end accurate numerical simulations have to be developed. Due to their relativistic nature, neutrinos pose additional challenges when one tries to include them in N-body simulations that are traditionally based on Newtonian physics. Here we present the first numerical study of massive neutrinos that uses a fully relativistic approach. Our N-body code, gevolution, is based on a weak-field formulation of general relativity that naturally provides a self-consistent framework for relativistic particle species. This allows us to model neutrinos from first principles, without invoking any ad-hoc recipes. Our simulation suite comprises some of the largest neutrino simulations performed to date. We study the effect of massive neutrinos on the nonlinear power spectra and the halo mass function, focusing on the interesting mass range between 0.06 eV and 0.3 eV and including a case for an inverted mass hierarchy.

  8. Cosmological N -body simulations with generic hot dark matter

    Energy Technology Data Exchange (ETDEWEB)

    Brandbyge, Jacob; Hannestad, Steen, E-mail: jacobb@phys.au.dk, E-mail: sth@phys.au.dk [Department of Physics and Astronomy, University of Aarhus, Ny Munkegade 120, DK–8000 Aarhus C (Denmark)

    2017-10-01

    We have calculated the non-linear effects of generic fermionic and bosonic hot dark matter components in cosmological N -body simulations. For sub-eV masses, the non-linear power spectrum suppression caused by thermal free-streaming resembles the one seen for massive neutrinos, whereas for masses larger than 1 eV, the non-linear relative suppression of power is smaller than in linear theory. We furthermore find that in the non-linear regime, one can map fermionic to bosonic models by performing a simple transformation.

  9. N-Body simulations of tidal encounters between stellar systems

    International Nuclear Information System (INIS)

    Rao, P.D.; Ramamani, N.; Alladin, S.M.

    1985-10-01

    N-Body simulations have been performed to study the tidal effects of a primary stellar system on a secondary stellar system of density close to the Roche density. Two hyperbolic, one parabolic and one elliptic encounters have been simulated. The changes in energy, angular momentum, mass distribution, and shape of the secondary system have been determined in each case. The inner region containing about 40% of the mass was found to be practically unchanged and the mass exterior to the tidal radius was found to escape. The intermediate region showed tidal distension. The thickness of this region decreased as we went from hyperbolic encounters to the elliptic encounter keeping the distance of closest approach constant. The numerical results for the fractional change in energy have been compared with the predictions of the available analytic formulae and the usefulness and limitations of the formulae have been discussed. (author)

  10. N-body simulations for coupled scalar-field cosmology

    International Nuclear Information System (INIS)

    Li Baojiu; Barrow, John D.

    2011-01-01

    We describe in detail the general methodology and numerical implementation of consistent N-body simulations for coupled-scalar-field models, including background cosmology and the generation of initial conditions (with the different couplings to different matter species taken into account). We perform fully consistent simulations for a class of coupled-scalar-field models with an inverse power-law potential and negative coupling constant, for which the chameleon mechanism does not work. We find that in such cosmological models the scalar-field potential plays a negligible role except in the background expansion, and the fifth force that is produced is proportional to gravity in magnitude, justifying the use of a rescaled gravitational constant G in some earlier N-body simulation works for similar models. We then study the effects of the scalar coupling on the nonlinear matter power spectra and compare with linear perturbation calculations to see the agreement and places where the nonlinear treatment deviates from the linear approximation. We also propose an algorithm to identify gravitationally virialized matter halos, trying to take account of the fact that the virialization itself is also modified by the scalar-field coupling. We use the algorithm to measure the mass function and study the properties of dark-matter halos. We find that the net effect of the scalar coupling helps produce more heavy halos in our simulation boxes and suppresses the inner (but not the outer) density profile of halos compared with the ΛCDM prediction, while the suppression weakens as the coupling between the scalar field and dark-matter particles increases in strength.

  11. Evaluation of clustering statistics with N-body simulations

    International Nuclear Information System (INIS)

    Quinn, T.R.

    1986-01-01

    Two series of N-body simulations are used to determine the effectiveness of various clustering statistics in revealing initial conditions from evolved models. All the simulations contained 16384 particles and were integrated with the PPPM code. One series is a family of models with power at only one wavelength. The family contains five models with the wavelength of the power separated by factors of √2. The second series is a family of all equal power combinations of two wavelengths taken from the first series. The clustering statistics examined are the two point correlation function, the multiplicity function, the nearest neighbor distribution, the void probability distribution, the distribution of counts in cells, and the peculiar velocity distribution. It is found that the covariance function, the nearest neighbor distribution, and the void probability distribution are relatively insensitive to the initial conditions. The distribution of counts in cells show a little more sensitivity, but the multiplicity function is the best of the statistics considered for revealing the initial conditions

  12. Numerical techniques for large cosmological N-body simulations

    International Nuclear Information System (INIS)

    Efstathiou, G.; Davis, M.; Frenk, C.S.; White, S.D.M.

    1985-01-01

    We describe and compare techniques for carrying out large N-body simulations of the gravitational evolution of clustering in the fundamental cube of an infinite periodic universe. In particular, we consider both particle mesh (PM) codes and P 3 M codes in which a higher resolution force is obtained by direct summation of contributions from neighboring particles. We discuss the mesh-induced anisotropies in the forces calculated by these schemes, and the extent to which they can model the desired 1/r 2 particle-particle interaction. We also consider how transformation of the time variable can improve the efficiency with which the equations of motion are integrated. We present tests of the accuracy with which the resulting schemes conserve energy and are able to follow individual particle trajectories. We have implemented an algorithm which allows initial conditions to be set up to model any desired spectrum of linear growing mode density fluctuations. A number of tests demonstrate the power of this algorithm and delineate the conditions under which it is effective. We carry out several test simulations using a variety of techniques in order to show how the results are affected by dynamic range limitations in the force calculations, by boundary effects, by residual artificialities in the initial conditions, and by the number of particles employed. For most purposes cosmological simulations are limited by the resolution of their force calculation rather than by the number of particles they can employ. For this reason, while PM codes are quite adequate to study the evolution of structure on large scale, P 3 M methods are to be preferred, in spite of their greater cost and complexity, whenever the evolution of small-scale structure is important

  13. FORMING CIRCUMBINARY PLANETS: N-BODY SIMULATIONS OF KEPLER-34

    International Nuclear Information System (INIS)

    Lines, S.; Leinhardt, Z. M.; Paardekooper, S.; Baruteau, C.; Thebault, P.

    2014-01-01

    Observations of circumbinary planets orbiting very close to the central stars have shown that planet formation may occur in a very hostile environment, where the gravitational pull from the binary should be very strong on the primordial protoplanetary disk. Elevated impact velocities and orbit crossings from eccentricity oscillations are the primary contributors to high energy, potentially destructive collisions that inhibit the growth of aspiring planets. In this work, we conduct high-resolution, inter-particle gravity enabled N-body simulations to investigate the feasibility of planetesimal growth in the Kepler-34 system. We improve upon previous work by including planetesimal disk self-gravity and an extensive collision model to accurately handle inter-planetesimal interactions. We find that super-catastrophic erosion events are the dominant mechanism up to and including the orbital radius of Kepler-34(AB)b, making in situ growth unlikely. It is more plausible that Kepler-34(AB)b migrated from a region beyond 1.5 AU. Based on the conclusions that we have made for Kepler-34, it seems likely that all of the currently known circumbinary planets have also migrated significantly from their formation location with the possible exception of Kepler-47(AB)c

  14. FORMING CIRCUMBINARY PLANETS: N-BODY SIMULATIONS OF KEPLER-34

    Energy Technology Data Exchange (ETDEWEB)

    Lines, S.; Leinhardt, Z. M. [School of Physics, University of Bristol, H. H. Wills Physics Laboratory, Tyndall Avenue, Bristol BS8 1TL (United Kingdom); Paardekooper, S.; Baruteau, C. [DAMTP, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Thebault, P., E-mail: stefan.lines@bristol.ac.uk [LESIA-Observatoire de Paris, UPMC Univ. Paris 06, Univ. Paris-Diderot, F-92195 Meudon Cedex (France)

    2014-02-10

    Observations of circumbinary planets orbiting very close to the central stars have shown that planet formation may occur in a very hostile environment, where the gravitational pull from the binary should be very strong on the primordial protoplanetary disk. Elevated impact velocities and orbit crossings from eccentricity oscillations are the primary contributors to high energy, potentially destructive collisions that inhibit the growth of aspiring planets. In this work, we conduct high-resolution, inter-particle gravity enabled N-body simulations to investigate the feasibility of planetesimal growth in the Kepler-34 system. We improve upon previous work by including planetesimal disk self-gravity and an extensive collision model to accurately handle inter-planetesimal interactions. We find that super-catastrophic erosion events are the dominant mechanism up to and including the orbital radius of Kepler-34(AB)b, making in situ growth unlikely. It is more plausible that Kepler-34(AB)b migrated from a region beyond 1.5 AU. Based on the conclusions that we have made for Kepler-34, it seems likely that all of the currently known circumbinary planets have also migrated significantly from their formation location with the possible exception of Kepler-47(AB)c.

  15. Forming Circumbinary Planets: N-body Simulations of Kepler-34

    Science.gov (United States)

    Lines, S.; Leinhardt, Z. M.; Paardekooper, S.; Baruteau, C.; Thebault, P.

    2014-02-01

    Observations of circumbinary planets orbiting very close to the central stars have shown that planet formation may occur in a very hostile environment, where the gravitational pull from the binary should be very strong on the primordial protoplanetary disk. Elevated impact velocities and orbit crossings from eccentricity oscillations are the primary contributors to high energy, potentially destructive collisions that inhibit the growth of aspiring planets. In this work, we conduct high-resolution, inter-particle gravity enabled N-body simulations to investigate the feasibility of planetesimal growth in the Kepler-34 system. We improve upon previous work by including planetesimal disk self-gravity and an extensive collision model to accurately handle inter-planetesimal interactions. We find that super-catastrophic erosion events are the dominant mechanism up to and including the orbital radius of Kepler-34(AB)b, making in situ growth unlikely. It is more plausible that Kepler-34(AB)b migrated from a region beyond 1.5 AU. Based on the conclusions that we have made for Kepler-34, it seems likely that all of the currently known circumbinary planets have also migrated significantly from their formation location with the possible exception of Kepler-47(AB)c.

  16. High Resolution N-Body Simulations of Terrestrial Planet Growth

    Science.gov (United States)

    Clark Wallace, Spencer; Quinn, Thomas R.

    2018-04-01

    We investigate planetesimal accretion with a direct N-body simulation of an annulus at 1 AU around a 1 M_sun star. The planetesimal ring, which initially contains N = 106 bodies is evolved through the runaway growth stage into the phase of oligarchic growth. We find that the mass distribution of planetesimals develops a bump around 1022 g shortly after the oligarchs form. This feature is absent in previous lower resolution studies. We find that this bump marks a boundary between growth modes. Below the bump mass, planetesimals are packed tightly enough together to populate first order mean motion resonances with the oligarchs. These resonances act to heat the tightly packed, low mass planetesimals, inhibiting their growth. We examine the eccentricity evolution of a dynamically hot planetary embryo embedded in an annulus of planetesimals and find that dynamical friction acts more strongly on the embryo when the planetesimals are finely resolved. This effect disappears when the annulus is made narrow enough to exclude most of the mean motion resonances. Additionally, we find that the 1022 g bump is significantly less prominent when we follow planetesimal growth with a skinny annulus.This feature, which is reminiscent of the power law break seen in the size distribution of asteroid belt objects may be an important clue for constraining the initial size of planetesimals in planet formation models.

  17. Effects of the initial conditions on cosmological $N$-body simulations

    OpenAIRE

    L'Huillier, Benjamin; Park, Changbom; Kim, Juhan

    2014-01-01

    Cosmology is entering an era of percent level precision due to current large observational surveys. This precision in observation is now demanding more accuracy from numerical methods and cosmological simulations. In this paper, we study the accuracy of $N$-body numerical simulations and their dependence on changes in the initial conditions and in the simulation algorithms. For this purpose, we use a series of cosmological $N$-body simulations with varying initial conditions. We test the infl...

  18. HNBody: A Simulation Package for Hierarchical N-Body Systems

    Science.gov (United States)

    Rauch, Kevin P.

    2018-04-01

    HNBody (http://www.hnbody.org/) is an extensible software package forintegrating the dynamics of N-body systems. Although general purpose, itincorporates several features and algorithms particularly well-suited tosystems containing a hierarchy (wide dynamic range) of masses. HNBodyversion 1 focused heavily on symplectic integration of nearly-Kepleriansystems. Here I describe the capabilities of the redesigned and expandedpackage version 2, which includes: symplectic integrators up to eighth order(both leap frog and Wisdom-Holman type methods), with symplectic corrector andclose encounter support; variable-order, variable-timestep Bulirsch-Stoer andStörmer integrators; post-Newtonian and multipole physics options; advancedround-off control for improved long-term stability; multi-threading and SIMDvectorization enhancements; seamless availability of extended precisionarithmetic for all calculations; extremely flexible configuration andoutput. Tests of the physical correctness of the algorithms are presentedusing JPL Horizons ephemerides (https://ssd.jpl.nasa.gov/?horizons) andpreviously published results for reference. The features and performanceof HNBody are also compared to several other freely available N-body codes,including MERCURY (Chambers), SWIFT (Levison & Duncan) and WHFAST (Rein &Tamayo).

  19. Effects of the Size of Cosmological N-body Simulations on Physical ...

    Indian Academy of Sciences (India)

    Apart from N-body simulations, an analytical prescription given by Press & ...... Little, B., Weinberg, D. H., Park, C. 1991, MNRAS, 253, 295. Ma, C.-P. ... Padmanabhan, T. 1993, Structure Formation in the Universe, Cambridge University Press.

  20. The Abacus Cosmos: A Suite of Cosmological N-body Simulations

    Science.gov (United States)

    Garrison, Lehman H.; Eisenstein, Daniel J.; Ferrer, Douglas; Tinker, Jeremy L.; Pinto, Philip A.; Weinberg, David H.

    2018-06-01

    We present a public data release of halo catalogs from a suite of 125 cosmological N-body simulations from the ABACUS project. The simulations span 40 wCDM cosmologies centered on the Planck 2015 cosmology at two mass resolutions, 4 × 1010 h ‑1 M ⊙ and 1 × 1010 h ‑1 M ⊙, in 1.1 h ‑1 Gpc and 720 h ‑1 Mpc boxes, respectively. The boxes are phase-matched to suppress sample variance and isolate cosmology dependence. Additional volume is available via 16 boxes of fixed cosmology and varied phase; a few boxes of single-parameter excursions from Planck 2015 are also provided. Catalogs spanning z = 1.5 to 0.1 are available for friends-of-friends and ROCKSTAR halo finders and include particle subsamples. All data products are available at https://lgarrison.github.io/AbacusCosmos.

  1. Particle Number Dependence of the N-body Simulations of Moon Formation

    Science.gov (United States)

    Sasaki, Takanori; Hosono, Natsuki

    2018-04-01

    The formation of the Moon from the circumterrestrial disk has been investigated by using N-body simulations with the number N of particles limited from 104 to 105. We develop an N-body simulation code on multiple Pezy-SC processors and deploy Framework for Developing Particle Simulators to deal with large number of particles. We execute several high- and extra-high-resolution N-body simulations of lunar accretion from a circumterrestrial disk of debris generated by a giant impact on Earth. The number of particles is up to 107, in which 1 particle corresponds to a 10 km sized satellitesimal. We find that the spiral structures inside the Roche limit radius differ between low-resolution simulations (N ≤ 105) and high-resolution simulations (N ≥ 106). According to this difference, angular momentum fluxes, which determine the accretion timescale of the Moon also depend on the numerical resolution.

  2. The effect of early radiation in N-body simulations of cosmic structure formation

    DEFF Research Database (Denmark)

    Adamek, Julian; Brandbyge, Jacob; Fidler, Christian

    2017-01-01

    Newtonian N-body simulations have been employed successfully over the past decades for the simulation of the cosmological large-scale structure. Such simulations usually ignore radiation perturbations (photons and massless neutrinos) and the impact of general relativity (GR) beyond the background...

  3. Halo Models of Large Scale Structure and Reliability of Cosmological N-Body Simulations

    Directory of Open Access Journals (Sweden)

    José Gaite

    2013-05-01

    Full Text Available Halo models of the large scale structure of the Universe are critically examined, focusing on the definition of halos as smooth distributions of cold dark matter. This definition is essentially based on the results of cosmological N-body simulations. By a careful analysis of the standard assumptions of halo models and N-body simulations and by taking into account previous studies of self-similarity of the cosmic web structure, we conclude that N-body cosmological simulations are not fully reliable in the range of scales where halos appear. Therefore, to have a consistent definition of halos is necessary either to define them as entities of arbitrary size with a grainy rather than smooth structure or to define their size in terms of small-scale baryonic physics.

  4. Fast Generation of Ensembles of Cosmological N-Body Simulations via Mode-Resampling

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, M D; Cole, S; Frenk, C S; Szapudi, I

    2011-02-14

    We present an algorithm for quickly generating multiple realizations of N-body simulations to be used, for example, for cosmological parameter estimation from surveys of large-scale structure. Our algorithm uses a new method to resample the large-scale (Gaussian-distributed) Fourier modes in a periodic N-body simulation box in a manner that properly accounts for the nonlinear mode-coupling between large and small scales. We find that our method for adding new large-scale mode realizations recovers the nonlinear power spectrum to sub-percent accuracy on scales larger than about half the Nyquist frequency of the simulation box. Using 20 N-body simulations, we obtain a power spectrum covariance matrix estimate that matches the estimator from Takahashi et al. (from 5000 simulations) with < 20% errors in all matrix elements. Comparing the rates of convergence, we determine that our algorithm requires {approx}8 times fewer simulations to achieve a given error tolerance in estimates of the power spectrum covariance matrix. The degree of success of our algorithm indicates that we understand the main physical processes that give rise to the correlations in the matter power spectrum. Namely, the large-scale Fourier modes modulate both the degree of structure growth through the variation in the effective local matter density and also the spatial frequency of small-scale perturbations through large-scale displacements. We expect our algorithm to be useful for noise modeling when constraining cosmological parameters from weak lensing (cosmic shear) and galaxy surveys, rescaling summary statistics of N-body simulations for new cosmological parameter values, and any applications where the influence of Fourier modes larger than the simulation size must be accounted for.

  5. The Matter Bispectrum in N-body Simulations with non-Gaussian Initial Conditions

    OpenAIRE

    Sefusatti, Emiliano; Crocce, Martin; Desjacques, Vincent

    2010-01-01

    We present measurements of the dark matter bispectrum in N-body simulations with non-Gaussian initial conditions of the local kind for a large variety of triangular configurations and compare them with predictions from Eulerian perturbation theory up to one-loop corrections. We find that the effects of primordial non-Gaussianity at large scales, when compared to perturbation theory, are well described by the initial component of the matter bispectrum, linearly extrapolated at the redshift of ...

  6. A new gravitational N-body simulation algorithm for investigation of Lagrangian turbulence in astrophysical and cosmological systems

    Energy Technology Data Exchange (ETDEWEB)

    Rosa, Reinaldo Roberto; Gomes, Vitor; Araujo, Amarisio [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil); Clua, Esteban [Universidade Federal Fluminense (UFF), Niteroi, RJ (Brazil)

    2011-07-01

    Full text: Turbulent-like behaviour is an important and recent ingredient in the investigation of large-scale structure formation in the observable universe. Recently, an established statistical method was used to demonstrate the importance of considering chaotic advection (or Lagrange turbulence) in combination with gravitational instabilities in the {Lambda}-CDM simulations performed from the Virgo Consortium (VC). However, the Hubble volumes simulated from GADGET-VC algorithm have some limitations for direct Lagrangian data analysis due to the large amount of data and no real time computation for particle kinetic velocity along the dark matter structure evolution. Hence, the Lab for Computing and Applied Mathematics at INPE, Brazil, has been working for the past two years in computational environments to achieve the so-called COsmic LAgrangian TUrbulence Simulator (COLATUS) allowing N-body simulation from a Lagrangian perspective. The COLATUS prototype, as usual packages, computes gravitational forces with a hierarchical tree algorithm in combination with a local particle kinetic velocity vector in a particle-mesh scheme for long-range gravitational forces. In the present work we show preliminary simulations for 106 particles showing Lagrangian power spectra for individual particles converging to a stable power-law of S(v) {approx} v{sup 5}. The code may be run on an arbitrary number of processors, with a restriction to powers of two. COLATUS has a potential to evaluate complex kinematics of a single particle in a simulated N-body gravitational system. However, to introduce this method as a GNU software further improvements and investigations are necessary. Then, the mapping techniques for the N-body problem incorporating radiation pressure and fluid characteristics by means of smoothed particle hydrodynamics (SPH) are discussed. Finally, we focus on the all-pairs computational kernel and its future GPU implementation using the NVIDIA CUDA programming model

  7. A new gravitational N-body simulation algorithm for investigation of Lagrangian turbulence in astrophysical and cosmological systems

    International Nuclear Information System (INIS)

    Rosa, Reinaldo Roberto; Gomes, Vitor; Araujo, Amarisio; Clua, Esteban

    2011-01-01

    Full text: Turbulent-like behaviour is an important and recent ingredient in the investigation of large-scale structure formation in the observable universe. Recently, an established statistical method was used to demonstrate the importance of considering chaotic advection (or Lagrange turbulence) in combination with gravitational instabilities in the Λ-CDM simulations performed from the Virgo Consortium (VC). However, the Hubble volumes simulated from GADGET-VC algorithm have some limitations for direct Lagrangian data analysis due to the large amount of data and no real time computation for particle kinetic velocity along the dark matter structure evolution. Hence, the Lab for Computing and Applied Mathematics at INPE, Brazil, has been working for the past two years in computational environments to achieve the so-called COsmic LAgrangian TUrbulence Simulator (COLATUS) allowing N-body simulation from a Lagrangian perspective. The COLATUS prototype, as usual packages, computes gravitational forces with a hierarchical tree algorithm in combination with a local particle kinetic velocity vector in a particle-mesh scheme for long-range gravitational forces. In the present work we show preliminary simulations for 106 particles showing Lagrangian power spectra for individual particles converging to a stable power-law of S(v) ∼ v 5 . The code may be run on an arbitrary number of processors, with a restriction to powers of two. COLATUS has a potential to evaluate complex kinematics of a single particle in a simulated N-body gravitational system. However, to introduce this method as a GNU software further improvements and investigations are necessary. Then, the mapping techniques for the N-body problem incorporating radiation pressure and fluid characteristics by means of smoothed particle hydrodynamics (SPH) are discussed. Finally, we focus on the all-pairs computational kernel and its future GPU implementation using the NVIDIA CUDA programming model. (author)

  8. Studying Tidal Effects In Planetary Systems With Posidonius. A N-Body Simulator Written In Rust.

    Science.gov (United States)

    Blanco-Cuaresma, Sergi; Bolmont, Emeline

    2017-10-01

    Planetary systems with several planets in compact orbital configurations such as TRAPPIST-1 are surely affected by tidal effects. Its study provides us with important insight about its evolution. We developed a second generation of a N-body code based on the tidal model used in Mercury-T, re-implementing and improving its functionalities using Rust as programming language (including a Python interface for easy use) and the WHFAST integrator. The new open source code ensures memory safety, reproducibility of numerical N-body experiments, it improves the spin integration compared to Mercury-T and allows to take into account a new prescription for the dissipation of tidal inertial waves in the convective envelope of stars. Posidonius is also suitable for binary system simulations with evolving stars.

  9. On the evolution of galaxy clustering and cosmological N-body simulations

    International Nuclear Information System (INIS)

    Fall, S.M.

    1978-01-01

    Some aspects of the problem of simulating the evolution of galaxy clustering by N-body computer experiments are discussed. The results of four 1000-body experiments are presented and interpreted on the basis of simple scaling arguments for the gravitational condensation of bound aggregates. They indicate that the internal dynamics of condensed aggregates are negligible in determining the form of the pair-correlation function xi. On small scales the form of xi is determined by discreteness effects in the initial N-body distribution and is not sensitive to this distribution. The experiments discussed here test the simple scaling arguments effectively for only one value of the cosmological density parameter (Ω = 1) and one form of the initial fluctuation spectrum (n = 0). (author)

  10. N-MODY: A Code for Collisionless N-body Simulations in Modified Newtonian Dynamics

    Science.gov (United States)

    Londrillo, Pasquale; Nipoti, Carlo

    2011-02-01

    N-MODY is a parallel particle-mesh code for collisionless N-body simulations in modified Newtonian dynamics (MOND). N-MODY is based on a numerical potential solver in spherical coordinates that solves the non-linear MOND field equation, and is ideally suited to simulate isolated stellar systems. N-MODY can be used also to compute the MOND potential of arbitrary static density distributions. A few applications of N-MODY indicate that some astrophysically relevant dynamical processes are profoundly different in MOND and in Newtonian gravity with dark matter.

  11. High performance direct gravitational N-body simulations on graphics processing units II: An implementation in CUDA

    NARCIS (Netherlands)

    Belleman, R.G.; Bédorf, J.; Portegies Zwart, S.F.

    2008-01-01

    We present the results of gravitational direct N-body simulations using the graphics processing unit (GPU) on a commercial NVIDIA GeForce 8800GTX designed for gaming computers. The force evaluation of the N-body problem is implemented in "Compute Unified Device Architecture" (CUDA) using the GPU to

  12. An Accelerating Solution for N-Body MOND Simulation with FPGA-SoC

    Directory of Open Access Journals (Sweden)

    Bo Peng

    2016-01-01

    Full Text Available As a modified-gravity proposal to handle the dark matter problem on galactic scales, Modified Newtonian Dynamics (MOND has shown a great success. However, the N-body MOND simulation is quite challenged by its computation complexity, which appeals to acceleration of the simulation calculation. In this paper, we present a highly integrated accelerating solution for N-body MOND simulations. By using the FPGA-SoC, which integrates both FPGA and SoC (system on chip in one chip, our solution exhibits potentials for better performance, higher integration, and lower power consumption. To handle the calculation bottleneck of potential summation, on one hand, we develop a strategy to simplify the pipeline, in which the square calculation task is conducted by the DSP48E1 of Xilinx 7 series FPGAs, so as to reduce the logic resource utilization of each pipeline; on the other hand, advantages of particle-mesh scheme are taken to overcome the bottleneck on bandwidth. Our experiment results show that 2 more pipelines can be integrated in Zynq-7020 FPGA-SoC with the simplified pipeline, and the bandwidth requirement is reduced significantly. Furthermore, our accelerating solution has a full range of advantages over different processors. Compared with GPU, our work is about 10 times better in performance per watt and 50% better in performance per cost.

  13. BOOSTED TIDAL DISRUPTION BY MASSIVE BLACK HOLE BINARIES DURING GALAXY MERGERS FROM THE VIEW OF N -BODY SIMULATION

    Energy Technology Data Exchange (ETDEWEB)

    Li, Shuo; Berczik, Peter; Spurzem, Rainer [National Astronomical Observatories and Key Laboratory of Computational Astrophysics, Chinese Academy of Sciences, 20A Datun Rd., Chaoyang District, Beijing 100012 (China); Liu, F. K., E-mail: lishuo@nao.cas.cn [Department of Astronomy, School of Physics, Peking University, Yiheyuan Lu 5, Haidian Qu, Beijing 100871 (China)

    2017-01-10

    Supermassive black hole binaries (SMBHBs) are productions of the hierarchical galaxy formation model. There are many close connections between a central SMBH and its host galaxy because the former plays very important roles on galaxy formation and evolution. For this reason, the evolution of SMBHBs in merging galaxies is a fundamental challenge. Since there are many discussions about SMBHB evolution in a gas-rich environment, we focus on the quiescent galaxy, using tidal disruption (TD) as a diagnostic tool. Our study is based on a series of numerical, large particle number, direct N -body simulations for dry major mergers. According to the simulation results, the evolution can be divided into three phases. In phase I, the TD rate for two well separated SMBHs in a merging system is similar to that for a single SMBH in an isolated galaxy. After two SMBHs approach close enough to form a bound binary in phase II, the disruption rate can be enhanced by ∼2 orders of magnitude within a short time. This “boosted” disruption stage finishes after the SMBHB evolves to a compact binary system in phase III, corresponding to a reduction in disruption rate back to a level of a few times higher than in phase I. We also discuss how to correctly extrapolate our N -body simulation results to reality, and the implications of our results to observations.

  14. Quantification of discreteness effects in cosmological N-body simulations: Initial conditions

    International Nuclear Information System (INIS)

    Joyce, M.; Marcos, B.

    2007-01-01

    The relation between the results of cosmological N-body simulations, and the continuum theoretical models they simulate, is currently not understood in a way which allows a quantification of N dependent effects. In this first of a series of papers on this issue, we consider the quantification of such effects in the initial conditions of such simulations. A general formalism developed in [A. Gabrielli, Phys. Rev. E 70, 066131 (2004).] allows us to write down an exact expression for the power spectrum of the point distributions generated by the standard algorithm for generating such initial conditions. Expanded perturbatively in the amplitude of the input (i.e. theoretical, continuum) power spectrum, we obtain at linear order the input power spectrum, plus two terms which arise from discreteness and contribute at large wave numbers. For cosmological type power spectra, one obtains as expected, the input spectrum for wave numbers k smaller than that characteristic of the discreteness. The comparison of real space correlation properties is more subtle because the discreteness corrections are not as strongly localized in real space. For cosmological type spectra the theoretical mass variance in spheres and two-point correlation function are well approximated above a finite distance. For typical initial amplitudes this distance is a few times the interparticle distance, but it diverges as this amplitude (or, equivalently, the initial redshift of the cosmological simulation) goes to zero, at fixed particle density. We discuss briefly the physical significance of these discreteness terms in the initial conditions, in particular, with respect to the definition of the continuum limit of N-body simulations

  15. Halo mass and weak galaxy-galaxy lensing profiles in rescaled cosmological N-body simulations

    Science.gov (United States)

    Renneby, Malin; Hilbert, Stefan; Angulo, Raúl E.

    2018-05-01

    We investigate 3D density and weak lensing profiles of dark matter haloes predicted by a cosmology-rescaling algorithm for N-body simulations. We extend the rescaling method of Angulo & White (2010) and Angulo & Hilbert (2015) to improve its performance on intra-halo scales by using models for the concentration-mass-redshift relation based on excursion set theory. The accuracy of the method is tested with numerical simulations carried out with different cosmological parameters. We find that predictions for median density profiles are more accurate than ˜5 % for haloes with masses of 1012.0 - 1014.5h-1 M⊙ for radii 0.05 baryons, are likely required for interpreting future (dark energy task force stage IV) experiments.

  16. GLOBAL HIGH-RESOLUTION N-BODY SIMULATION OF PLANET FORMATION. I. PLANETESIMAL-DRIVEN MIGRATION

    Energy Technology Data Exchange (ETDEWEB)

    Kominami, J. D. [Earth-Life Science Institute, Tokyo Institute of Technology, Meguro-Ku, Tokyo (Japan); Daisaka, H. [Hitotsubashi University, Kunitachi-shi, Tokyo (Japan); Makino, J. [RIKEN Advanced Institute for Computational Science, Chuo-ku, Kobe, Hyogo (Japan); Fujimoto, M., E-mail: kominami@mail.jmlab.jp, E-mail: daisaka@phys.science.hit-u.ac.jp, E-mail: makino@mail.jmlab.jp, E-mail: fujimoto.masaki@jaxa.jp [Japan Aerospace Exploration Agency, Sagamihara-shi, Kanagawa (Japan)

    2016-03-01

    We investigated whether outward planetesimal-driven migration (PDM) takes place or not in simulations when the self-gravity of planetesimals is included. We performed N-body simulations of planetesimal disks with a large width (0.7–4 au) that ranges over the ice line. The simulations consisted of two stages. The first-stage simulations were carried out to see the runaway growth phase using the planetesimals of initially the same mass. The runaway growth took place both at the inner edge of the disk and at the region just outside the ice line. This result was utilized for the initial setup of the second-stage simulations, in which the runaway bodies just outside the ice line were replaced by the protoplanets with about the isolation mass. In the second-stage simulations, the outward migration of the protoplanet was followed by the stopping of the migration due to the increase of the random velocity of the planetesimals. Owing to this increase of random velocities, one of the PDM criteria derived in Minton and Levison was broken. In the current simulations, the effect of the gas disk is not considered. It is likely that the gas disk plays an important role in PDM, and we plan to study its effect in future papers.

  17. Halo statistics analysis within medium volume cosmological N-body simulation

    Directory of Open Access Journals (Sweden)

    Martinović N.

    2015-01-01

    Full Text Available In this paper we present halo statistics analysis of a ΛCDM N body cosmological simulation (from first halo formation until z = 0. We study mean major merger rate as a function of time, where for time we consider both per redshift and per Gyr dependence. For latter we find that it scales as the well known power law (1 + zn for which we obtain n = 2.4. The halo mass function and halo growth function are derived and compared both with analytical and empirical fits. We analyse halo growth through out entire simulation, making it possible to continuously monitor evolution of halo number density within given mass ranges. The halo formation redshift is studied exploring possibility for a new simple preliminary analysis during the simulation run. Visualization of the simulation is portrayed as well. At redshifts z = 0−7 halos from simulation have good statistics for further analysis especially in mass range of 1011 − 1014 M./h. [176021 ’Visible and invisible matter in nearby galaxies: theory and observations

  18. The shape of the invisible halo: N-body simulations on parallel supercomputers

    Energy Technology Data Exchange (ETDEWEB)

    Warren, M.S.; Zurek, W.H. (Los Alamos National Lab., NM (USA)); Quinn, P.J. (Australian National Univ., Canberra (Australia). Mount Stromlo and Siding Spring Observatories); Salmon, J.K. (California Inst. of Tech., Pasadena, CA (USA))

    1990-01-01

    We study the shapes of halos and the relationship to their angular momentum content by means of N-body (N {approximately} 10{sup 6}) simulations. Results indicate that in relaxed halos with no apparent substructure: (i) the shape and orientation of the isodensity contours tends to persist throughout the virialised portion of the halo; (ii) most ({approx}70%) of the halos are prolate; (iii) the approximate direction of the angular momentum vector tends to persist throughout the halo; (iv) for spherical shells centered on the core of the halo the magnitude of the specific angular momentum is approximately proportional to their radius; (v) the shortest axis of the ellipsoid which approximates the shape of the halo tends to align with the rotation axis of the halo. This tendency is strongest in the fastest rotating halos. 13 refs., 4 figs.

  19. N-body simulations of terrestrial planet formation under the influence of a hot Jupiter

    International Nuclear Information System (INIS)

    Ogihara, Masahiro; Kobayashi, Hiroshi; Inutsuka, Shu-ichiro

    2014-01-01

    We investigate the formation of multiple-planet systems in the presence of a hot Jupiter (HJ) using extended N-body simulations that are performed simultaneously with semianalytic calculations. Our primary aims are to describe the planet formation process starting from planetesimals using high-resolution simulations, and to examine the dependences of the architecture of planetary systems on input parameters (e.g., disk mass, disk viscosity). We observe that protoplanets that arise from oligarchic growth and undergo type I migration stop migrating when they join a chain of resonant planets outside the orbit of an HJ. The formation of a resonant chain is almost independent of our model parameters, and is thus a robust process. At the end of our simulations, several terrestrial planets remain at around 0.1 AU. The formed planets are not equal mass; the largest planet constitutes more than 50% of the total mass in the close-in region, which is also less dependent on parameters. In the previous work of this paper, we have found a new physical mechanism of induced migration of the HJ, which is called a crowding-out. If the HJ opens up a wide gap in the disk (e.g., owing to low disk viscosity), crowding-out becomes less efficient and the HJ remains. We also discuss angular momentum transfer between the planets and disk.

  20. A New Signal Model for Axion Cavity Searches from N -body Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Lentz, Erik W.; Rosenberg, Leslie J. [Physics Department, University of Washington, Seattle, WA 98195-1580 (United States); Quinn, Thomas R.; Tremmel, Michael J., E-mail: lentze@phys.washington.edu, E-mail: ljrosenberg@phys.washington.edu, E-mail: trq@astro.washington.edu, E-mail: mjt29@astro.washington.edu [Astronomy Department, University of Washington, Seattle, WA 98195-1580 (United States)

    2017-08-20

    Signal estimates for direct axion dark matter (DM) searches have used the isothermal sphere halo model for the last several decades. While insightful, the isothermal model does not capture effects from a halo’s infall history nor the influence of baryonic matter, which has been shown to significantly influence a halo’s inner structure. The high resolution of cavity axion detectors can make use of modern cosmological structure-formation simulations, which begin from realistic initial conditions, incorporate a wide range of baryonic physics, and are capable of resolving detailed structure. This work uses a state-of-the-art cosmological N -body+Smoothed-Particle Hydrodynamics simulation to develop an improved signal model for axion cavity searches. Signal shapes from a class of galaxies encompassing the Milky Way are found to depart significantly from the isothermal sphere. A new signal model for axion detectors is proposed and projected sensitivity bounds on the Axion DM eXperiment (ADMX) data are presented.

  1. Scalable streaming tools for analyzing N-body simulations: Finding halos and investigating excursion sets in one pass

    Science.gov (United States)

    Ivkin, N.; Liu, Z.; Yang, L. F.; Kumar, S. S.; Lemson, G.; Neyrinck, M.; Szalay, A. S.; Braverman, V.; Budavari, T.

    2018-04-01

    Cosmological N-body simulations play a vital role in studying models for the evolution of the Universe. To compare to observations and make a scientific inference, statistic analysis on large simulation datasets, e.g., finding halos, obtaining multi-point correlation functions, is crucial. However, traditional in-memory methods for these tasks do not scale to the datasets that are forbiddingly large in modern simulations. Our prior paper (Liu et al., 2015) proposes memory-efficient streaming algorithms that can find the largest halos in a simulation with up to 109 particles on a small server or desktop. However, this approach fails when directly scaling to larger datasets. This paper presents a robust streaming tool that leverages state-of-the-art techniques on GPU boosting, sampling, and parallel I/O, to significantly improve performance and scalability. Our rigorous analysis of the sketch parameters improves the previous results from finding the centers of the 103 largest halos (Liu et al., 2015) to ∼ 104 - 105, and reveals the trade-offs between memory, running time and number of halos. Our experiments show that our tool can scale to datasets with up to ∼ 1012 particles while using less than an hour of running time on a single GPU Nvidia GTX 1080.

  2. Sixth- and eighth-order Hermite integrator for N-body simulations

    Science.gov (United States)

    Nitadori, Keigo; Makino, Junichiro

    2008-10-01

    We present sixth- and eighth-order Hermite integrators for astrophysical N-body simulations, which use the derivatives of accelerations up to second-order ( snap) and third-order ( crackle). These schemes do not require previous values for the corrector, and require only one previous value to construct the predictor. Thus, they are fairly easy to implement. The additional cost of the calculation of the higher-order derivatives is not very high. Even for the eighth-order scheme, the number of floating-point operations for force calculation is only about two times larger than that for traditional fourth-order Hermite scheme. The sixth-order scheme is better than the traditional fourth-order scheme for most cases. When the required accuracy is very high, the eighth-order one is the best. These high-order schemes have several practical advantages. For example, they allow a larger number of particles to be integrated in parallel than the fourth-order scheme does, resulting in higher execution efficiency in both general-purpose parallel computers and GRAPE systems.

  3. The GENGA code: gravitational encounters in N-body simulations with GPU acceleration

    International Nuclear Information System (INIS)

    Grimm, Simon L.; Stadel, Joachim G.

    2014-01-01

    We describe an open source GPU implementation of a hybrid symplectic N-body integrator, GENGA (Gravitational ENcounters with Gpu Acceleration), designed to integrate planet and planetesimal dynamics in the late stage of planet formation and stability analyses of planetary systems. GENGA uses a hybrid symplectic integrator to handle close encounters with very good energy conservation, which is essential in long-term planetary system integration. We extended the second-order hybrid integration scheme to higher orders. The GENGA code supports three simulation modes: integration of up to 2048 massive bodies, integration with up to a million test particles, or parallel integration of a large number of individual planetary systems. We compare the results of GENGA to Mercury and pkdgrav2 in terms of energy conservation and performance and find that the energy conservation of GENGA is comparable to Mercury and around two orders of magnitude better than pkdgrav2. GENGA runs up to 30 times faster than Mercury and up to 8 times faster than pkdgrav2. GENGA is written in CUDA C and runs on all NVIDIA GPUs with a computing capability of at least 2.0.

  4. The GENGA code: gravitational encounters in N-body simulations with GPU acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Grimm, Simon L.; Stadel, Joachim G., E-mail: sigrimm@physik.uzh.ch [Institute for Computational Science, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich (Switzerland)

    2014-11-20

    We describe an open source GPU implementation of a hybrid symplectic N-body integrator, GENGA (Gravitational ENcounters with Gpu Acceleration), designed to integrate planet and planetesimal dynamics in the late stage of planet formation and stability analyses of planetary systems. GENGA uses a hybrid symplectic integrator to handle close encounters with very good energy conservation, which is essential in long-term planetary system integration. We extended the second-order hybrid integration scheme to higher orders. The GENGA code supports three simulation modes: integration of up to 2048 massive bodies, integration with up to a million test particles, or parallel integration of a large number of individual planetary systems. We compare the results of GENGA to Mercury and pkdgrav2 in terms of energy conservation and performance and find that the energy conservation of GENGA is comparable to Mercury and around two orders of magnitude better than pkdgrav2. GENGA runs up to 30 times faster than Mercury and up to 8 times faster than pkdgrav2. GENGA is written in CUDA C and runs on all NVIDIA GPUs with a computing capability of at least 2.0.

  5. Simulations of collisions between N-body classical systems in interaction

    International Nuclear Information System (INIS)

    Morisseau, Francois

    2006-05-01

    The Classical N-body Dynamics (CNBD) is dedicated to the simulation of collisions between classical systems. The 2-body interaction used here has the properties of the Van der Waals potential and depends on just a few parameters. This work has two main goals. First, some theoretical approaches assume that the dynamical stage of the collisions plays an important role. Moreover, colliding nuclei are supposed to present a 1. order liquid-gas phase transition. Several signals have been introduced to show this transition. We have searched for two of them: the bimodality of the mass asymmetry and negative heat capacity. We have found them and we give an explanation of their presence in our calculations. Second, we have improved the interaction by adding a Coulomb like potential and by taking into account the stronger proton-neutron interaction in nuclei. Then we have figured out the relations that exist between the parameters of the 2-body interaction and the properties of the systems. These studies allow us to fit the properties of the classical systems to those of the nuclei. In this manuscript the first results of this fit are shown. (author)

  6. N-body simulations of planet formation: understanding exoplanet system architectures

    Science.gov (United States)

    Coleman, Gavin; Nelson, Richard

    2015-12-01

    Observations have demonstrated the existence of a significant population of compact systems comprised of super-Earths and Neptune-mass planets, and a population of gas giants that appear to occur primarily in either short-period (100 days) orbits. The broad diversity of system architectures raises the question of whether or not the same formation processes operating in standard disc models can explain these planets, or if different scenarios are required instead to explain the widely differing architectures. To explore this issue, we present the results from a comprehensive suite of N-body simulations of planetary system formation that include the following physical processes: gravitational interactions and collisions between planetary embryos and planetesimals; type I and II migration; gas accretion onto planetary cores; self-consistent viscous disc evolution and disc removal through photo-evaporation. Our results indicate that the formation and survival of compact systems of super-Earths and Neptune-mass planets occur commonly in disc models where a simple prescription for the disc viscosity is assumed, but such models never lead to the formation and survival of gas giant planets due to migration into the star. Inspired in part by the ALMA observations of HL Tau, and by MHD simulations that display the formation of long-lived zonal flows, we have explored the consequences of assuming that the disc viscosity varies in both time and space. We find that the radial structuring of the disc leads to conditions in which systems of giant planets are able to form and survive. Furthermore, these giants generally occupy those regions of the mass-period diagram that are densely populated by the observed gas giants, suggesting that the planet traps generated by radial structuring of protoplanetary discs may be a necessary ingredient for forming giant planets.

  7. Clusters of galaxies compared with N-body simulations: masses and mass segregation

    International Nuclear Information System (INIS)

    Struble, M.F.; Bludman, S.A.

    1979-01-01

    With three virially stable N-body simulations of Wielen, it is shown that use of the expression for the total mass derived from averaged quantities (velocity dispersion and mean harmonic radius) yields an overestimate of the mass by as much as a factor of 2-3, and use of the heaviest mass sample gives an underestimate by a factor of 2-3. The estimate of the mass using mass weighted quantities (i.e., derived from the customary definition of kinetic and potential energies) yields a better value irrespectively of mass sample as applied to late time intervals of the models (>= three two-body relaxation times). The uncertainty is at most approximately 50%. This suggests that it is better to employ the mass weighted expression for the mass when determining cluster masses. The virial ratio, which is a ratio of the mass weighted/averaged expression for the potential energy, is found to vary between 1 and 2. It is concluded that ratios for observed clusters approximately 4-10 cannot be explained even by the imprecision of the expression for the mass using averaged quantities, and certainly implies the presence of unseen matter. Total masses via customary application of the virial theorem are calculated for 39 clusters, and total masses for 12 clusters are calculated by a variant of the usual application. The distribution of cluster masses is also presented and briefly discussed. Mass segregation in Wielen's models is studied in terms of the binding energy per unit mass of the 'heavy' sample compared with the 'light' sample. The general absence of mass segregation in relaxaed clusters and the large virial discrepancies are attributed to a population of many low-mass objects that may constitute the bulk mass of clusters of galaxies. (Auth.)

  8. A PARALLEL MONTE CARLO CODE FOR SIMULATING COLLISIONAL N-BODY SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

    Pattabiraman, Bharath; Umbreit, Stefan; Liao, Wei-keng; Choudhary, Alok; Kalogera, Vassiliki; Memik, Gokhan; Rasio, Frederic A., E-mail: bharath@u.northwestern.edu [Center for Interdisciplinary Exploration and Research in Astrophysics, Northwestern University, Evanston, IL (United States)

    2013-02-15

    We present a new parallel code for computing the dynamical evolution of collisional N-body systems with up to N {approx} 10{sup 7} particles. Our code is based on the Henon Monte Carlo method for solving the Fokker-Planck equation, and makes assumptions of spherical symmetry and dynamical equilibrium. The principal algorithmic developments involve optimizing data structures and the introduction of a parallel random number generation scheme as well as a parallel sorting algorithm required to find nearest neighbors for interactions and to compute the gravitational potential. The new algorithms we introduce along with our choice of decomposition scheme minimize communication costs and ensure optimal distribution of data and workload among the processing units. Our implementation uses the Message Passing Interface library for communication, which makes it portable to many different supercomputing architectures. We validate the code by calculating the evolution of clusters with initial Plummer distribution functions up to core collapse with the number of stars, N, spanning three orders of magnitude from 10{sup 5} to 10{sup 7}. We find that our results are in good agreement with self-similar core-collapse solutions, and the core-collapse times generally agree with expectations from the literature. Also, we observe good total energy conservation, within {approx}< 0.04% throughout all simulations. We analyze the performance of the code, and demonstrate near-linear scaling of the runtime with the number of processors up to 64 processors for N = 10{sup 5}, 128 for N = 10{sup 6} and 256 for N = 10{sup 7}. The runtime reaches saturation with the addition of processors beyond these limits, which is a characteristic of the parallel sorting algorithm. The resulting maximum speedups we achieve are approximately 60 Multiplication-Sign , 100 Multiplication-Sign , and 220 Multiplication-Sign , respectively.

  9. Structure formation by a fifth force: N-body versus linear simulations

    Science.gov (United States)

    Li, Baojiu; Zhao, Hongsheng

    2009-08-01

    We lay out the frameworks to numerically study the structure formation in both linear and nonlinear regimes in general dark-matter-coupled scalar field models, and give an explicit example where the scalar field serves as a dynamical dark energy. Adopting parameters of the scalar field which yield a realistic cosmic microwave background (CMB) spectrum, we generate the initial conditions for our N-body simulations, which follow the spatial distributions of the dark matter and the scalar field by solving their equations of motion using the multilevel adaptive grid technique. We show that the spatial configuration of the scalar field tracks well the voids and clusters of dark matter. Indeed, the propagation of scalar degree of freedom effectively acts as a fifth force on dark matter particles, whose range and magnitude are determined by the two model parameters (μ,γ), local dark matter density as well as the background value for the scalar field. The model behaves like the ΛCDM paradigm on scales relevant to the CMB spectrum, which are well beyond the probe of the local fifth force and thus not significantly affected by the matter-scalar coupling. On scales comparable or shorter than the range of the local fifth force, the fifth force is perfectly parallel to gravity and their strengths have a fixed ratio 2γ2 determined by the matter-scalar coupling, provided that the chameleon effect is weak; if on the other hand there is a strong chameleon effect (i.e., the scalar field almost resides at its effective potential minimum everywhere in the space), the fifth force indeed has suppressed effects in high density regions and shows no obvious correlation with gravity, which means that the dark-matter-scalar-field coupling is not simply equivalent to a rescaling of the gravitational constant or the mass of the dark matter particles. We show these spatial distributions and (lack of) correlations at typical redshifts (z=0,1,5.5) in our multigrid million-particle simulations

  10. Structure formation by a fifth force: N-body versus linear simulations

    International Nuclear Information System (INIS)

    Li Baojiu; Zhao Hongsheng

    2009-01-01

    We lay out the frameworks to numerically study the structure formation in both linear and nonlinear regimes in general dark-matter-coupled scalar field models, and give an explicit example where the scalar field serves as a dynamical dark energy. Adopting parameters of the scalar field which yield a realistic cosmic microwave background (CMB) spectrum, we generate the initial conditions for our N-body simulations, which follow the spatial distributions of the dark matter and the scalar field by solving their equations of motion using the multilevel adaptive grid technique. We show that the spatial configuration of the scalar field tracks well the voids and clusters of dark matter. Indeed, the propagation of scalar degree of freedom effectively acts as a fifth force on dark matter particles, whose range and magnitude are determined by the two model parameters (μ,γ), local dark matter density as well as the background value for the scalar field. The model behaves like the ΛCDM paradigm on scales relevant to the CMB spectrum, which are well beyond the probe of the local fifth force and thus not significantly affected by the matter-scalar coupling. On scales comparable or shorter than the range of the local fifth force, the fifth force is perfectly parallel to gravity and their strengths have a fixed ratio 2γ 2 determined by the matter-scalar coupling, provided that the chameleon effect is weak; if on the other hand there is a strong chameleon effect (i.e., the scalar field almost resides at its effective potential minimum everywhere in the space), the fifth force indeed has suppressed effects in high density regions and shows no obvious correlation with gravity, which means that the dark-matter-scalar-field coupling is not simply equivalent to a rescaling of the gravitational constant or the mass of the dark matter particles. We show these spatial distributions and (lack of) correlations at typical redshifts (z=0,1,5.5) in our multigrid million

  11. N-body simulations with a cosmic vector for dark energy

    Science.gov (United States)

    Carlesi, Edoardo; Knebe, Alexander; Yepes, Gustavo; Gottlöber, Stefan; Jiménez, Jose Beltrán.; Maroto, Antonio L.

    2012-07-01

    We present the results of a series of cosmological N-body simulations of a vector dark energy (VDE) model, performed using a suitably modified version of the publicly available GADGET-2 code. The set-ups of our simulations were calibrated pursuing a twofold aim: (1) to analyse the large-scale distribution of massive objects and (2) to determine the properties of halo structure in this different framework. We observe that structure formation is enhanced in VDE, since the mass function at high redshift is boosted up to a factor of 10 with respect to Λ cold dark matter (ΛCDM), possibly alleviating tensions with the observations of massive clusters at high redshifts and early reionization epoch. Significant differences can also be found for the value of the growth factor, which in VDE shows a completely different behaviour, and in the distribution of voids, which in this cosmology are on average smaller and less abundant. We further studied the structure of dark matter haloes more massive than 5 × 1013 h-1 M⊙, finding that no substantial difference emerges when comparing spin parameter, shape, triaxiality and profiles of structures evolved under different cosmological pictures. Nevertheless, minor differences can be found in the concentration-mass relation and the two-point correlation function, both showing different amplitudes and steeper slopes. Using an additional series of simulations of a ΛCDM scenario with the same ? and σ8 used in the VDE cosmology, we have been able to establish whether the modifications induced in the new cosmological picture were due to the particular nature of the dynamical dark energy or a straightforward consequence of the cosmological parameters. On large scales, the dynamical effects of the cosmic vector field can be seen in the peculiar evolution of the cluster number density function with redshift, in the shape of the mass function, in the distribution of voids and on the characteristic form of the growth index γ(z). On

  12. Dark matter direct detection signals inferred from a cosmological N-body simulation with baryons

    International Nuclear Information System (INIS)

    Ling, F.-S.; Nezri, E.; Athanassoula, E.; Teyssier, R.

    2010-01-01

    We extract at redshift z = 0 a Milky Way sized object including gas, stars and dark matter (DM) from a recent, high-resolution cosmological N-body simulation with baryons. Its resolution is sufficient to witness the formation of a rotating disk and bulge at the center of the halo potential, therefore providing a realistic description of the birth and the evolution of galactic structures in the ΛCDM cosmology paradigm. The phase-space structure of the central galaxy reveals that, throughout a thick region, the dark halo is co-rotating on average with the stellar disk. At the Earth's location, the rotating component, sometimes called dark disk in the literature, is characterized by a minimum lag velocity v lag ≅ 75 km/s, in which case it contributes to around 25% of the total DM local density, whose value is ρ DM ≅ 0.37GeV/cm 3 . The velocity distributions also show strong deviations from pure Gaussian and Maxwellian distributions, with a sharper drop of the high velocity tail. We give a detailed study of the impact of these features on the predictions for DM signals in direct detection experiments. In particular, the question of whether the modulation signal observed by DAMA is or is not excluded by limits set by other experiments (CDMS, XENON and CRESST...) is re-analyzed and compared to the case of a standard Maxwellian halo. We consider spin-independent interactions for both the elastic and the inelastic scattering scenarios. For the first time, we calculate the allowed regions for DAMA and the exclusion limits of other null experiments directly from the velocity distributions found in the simulation. We then compare these results with the predictions of various analytical distributions. We find that the compatibility between DAMA and the other experiments is improved. In the elastic scenario, the DAMA modulation signal is slightly enhanced in the so-called channeling region, as a result of several effects that include a departure from a Maxwellian

  13. The gravitational interaction between N-body (star clusters) and hydrodynamic (ISM) codes in disk galaxy simulations

    International Nuclear Information System (INIS)

    Schroeder, M.C.; Comins, N.F.

    1986-01-01

    During the past twenty years, three approaches to numerical simulations of the evolution of galaxies have been developed. The first approach, N-body programs, models the motion of clusters of stars as point particles which interact via their gravitational potentials to determine the system dynamics. Some N-body codes model molecular clouds as colliding, inelastic particles. The second approach, hydrodynamic models of galactic dynamics, simulates the activity of the interstellar medium as a compressible gas. These models presently do not include stars, the effect of gravitational fields, or allow for stellar evolution and exchange of mass or angular momentum between stars and the interstellar medium. The third approach, stochastic star formation simulations of disk galaxies, allows for the interaction between stars and interstellar gas, but does not allow the star particles to move under the influence of gravity

  14. Distribution function approach to redshift space distortions. Part II: N-body simulations

    International Nuclear Information System (INIS)

    Okumura, Teppei; Seljak, Uroš; McDonald, Patrick; Desjacques, Vincent

    2012-01-01

    Measurement of redshift-space distortions (RSD) offers an attractive method to directly probe the cosmic growth history of density perturbations. A distribution function approach where RSD can be written as a sum over density weighted velocity moment correlators has recently been developed. In this paper we use results of N-body simulations to investigate the individual contributions and convergence of this expansion for dark matter. If the series is expanded as a function of powers of μ, cosine of the angle between the Fourier mode and line of sight, then there are a finite number of terms contributing at each order. We present these terms and investigate their contribution to the total as a function of wavevector k. For μ 2 the correlation between density and momentum dominates on large scales. Higher order corrections, which act as a Finger-of-God (FoG) term, contribute 1% at k ∼ 0.015hMpc −1 , 10% at k ∼ 0.05hMpc −1 at z = 0, while for k > 0.15hMpc −1 they dominate and make the total negative. These higher order terms are dominated by density-energy density correlations which contributes negatively to the power, while the contribution from vorticity part of momentum density auto-correlation adds to the total power, but is an order of magnitude lower. For μ 4 term the dominant term on large scales is the scalar part of momentum density auto-correlation, while higher order terms dominate for k > 0.15hMpc −1 . For μ 6 and μ 8 we find it has very little power for k −1 , shooting up by 2–3 orders of magnitude between k −1 and k −1 . We also compare the expansion to the full 2-d P ss (k,μ), as well as to the monopole, quadrupole, and hexadecapole integrals of P ss (k,μ). For these statistics an infinite number of terms contribute and we find that the expansion achieves percent level accuracy for kμ −1 at 6-th order, but breaks down on smaller scales because the series is no longer perturbative. We explore resummation of the terms into Fo

  15. Testing lowered isothermal models with direct N-body simulations of globular clusters - II. Multimass models

    Science.gov (United States)

    Peuten, M.; Zocchi, A.; Gieles, M.; Hénault-Brunet, V.

    2017-09-01

    Lowered isothermal models, such as the multimass Michie-King models, have been successful in describing observational data of globular clusters. In this study, we assess whether such models are able to describe the phase space properties of evolutionary N-body models. We compare the multimass models as implemented in limepy (Gieles & Zocchi) to N-body models of star clusters with different retention fractions for the black holes and neutron stars evolving in a tidal field. We find that multimass models successfully reproduce the density and velocity dispersion profiles of the different mass components in all evolutionary phases and for different remnants retention. We further use these results to study the evolution of global model parameters. We find that over the lifetime of clusters, radial anisotropy gradually evolves from the low- to the high-mass components and we identify features in the properties of observable stars that are indicative of the presence of stellar-mass black holes. We find that the model velocity scale depends on mass as m-δ, with δ ≃ 0.5 for almost all models, but the dependence of central velocity dispersion on m can be shallower, depending on the dark remnant content, and agrees well with that of the N-body models. The reported model parameters, and correlations amongst them, can be used as theoretical priors when fitting these types of mass models to observational data.

  16. The effect of thermal velocities on structure formation in N-body simulations of warm dark matter

    Science.gov (United States)

    Leo, Matteo; Baugh, Carlton M.; Li, Baojiu; Pascoli, Silvia

    2017-11-01

    We investigate the impact of thermal velocities in N-body simulations of structure formation in warm dark matter models. Adopting the commonly used approach of adding thermal velocities, randomly selected from a Fermi-Dirac distribution, to the gravitationally-induced velocities of the simulation particles, we compare the matter and velocity power spectra measured from CDM and WDM simulations, in the latter case with and without thermal velocities. This prescription for adding thermal velocities introduces numerical noise into the initial conditions, which influences structure formation. At early times, the noise affects dramatically the power spectra measured from simulations with thermal velocities, with deviations of the order of ~ Script O(10) (in the matter power spectra) and of the order of ~ Script O(102) (in the velocity power spectra) compared to those extracted from simulations without thermal velocities. At late times, these effects are less pronounced with deviations of less than a few percent. Increasing the resolution of the N-body simulation shifts these discrepancies to higher wavenumbers. We also find that spurious haloes start to appear in simulations which include thermal velocities at a mass that is ~3 times larger than in simulations without thermal velocities.

  17. Application of the Ewald method to cosmological N-body simulations

    International Nuclear Information System (INIS)

    Hernquist, L.; Suto, Yasushi; Bouchet, F.R.

    1990-03-01

    Fully periodic boundary conditions are incorporated into a gridless cosmological N-body code using the Ewald method. It is shown that the linear evolution of density fluctuations agrees well with analytic calculations, contrary to the case of quasi-periodic boundary conditions where the fundamental mode grows too rapidly. The implementation of fully periodic boundaries is of particular importance to relative comparisons of methods based on hierarchical tree algorithms and more traditional schemes using Fourier techniques such as PM and P 3 M codes. (author)

  18. K-means clustering for optimal partitioning and dynamic load balancing of parallel hierarchical N-body simulations

    International Nuclear Information System (INIS)

    Marzouk, Youssef M.; Ghoniem, Ahmed F.

    2005-01-01

    A number of complex physical problems can be approached through N-body simulation, from fluid flow at high Reynolds number to gravitational astrophysics and molecular dynamics. In all these applications, direct summation is prohibitively expensive for large N and thus hierarchical methods are employed for fast summation. This work introduces new algorithms, based on k-means clustering, for partitioning parallel hierarchical N-body interactions. We demonstrate that the number of particle-cluster interactions and the order at which they are performed are directly affected by partition geometry. Weighted k-means partitions minimize the sum of clusters' second moments and create well-localized domains, and thus reduce the computational cost of N-body approximations by enabling the use of lower-order approximations and fewer cells. We also introduce compatible techniques for dynamic load balancing, including adaptive scaling of cluster volumes and adaptive redistribution of cluster centroids. We demonstrate the performance of these algorithms by constructing a parallel treecode for vortex particle simulations, based on the serial variable-order Cartesian code developed by Lindsay and Krasny [Journal of Computational Physics 172 (2) (2001) 879-907]. The method is applied to vortex simulations of a transverse jet. Results show outstanding parallel efficiencies even at high concurrencies, with velocity evaluation errors maintained at or below their serial values; on a realistic distribution of 1.2 million vortex particles, we observe a parallel efficiency of 98% on 1024 processors. Excellent load balance is achieved even in the face of several obstacles, such as an irregular, time-evolving particle distribution containing a range of length scales and the continual introduction of new vortex particles throughout the domain. Moreover, results suggest that k-means yields a more efficient partition of the domain than a global oct-tree

  19. N-body simulations for f(R) gravity using a self-adaptive particle-mesh code

    Science.gov (United States)

    Zhao, Gong-Bo; Li, Baojiu; Koyama, Kazuya

    2011-02-01

    We perform high-resolution N-body simulations for f(R) gravity based on a self-adaptive particle-mesh code MLAPM. The chameleon mechanism that recovers general relativity on small scales is fully taken into account by self-consistently solving the nonlinear equation for the scalar field. We independently confirm the previous simulation results, including the matter power spectrum, halo mass function, and density profiles, obtained by Oyaizu [Phys. Rev. DPRVDAQ1550-7998 78, 123524 (2008)10.1103/PhysRevD.78.123524] and Schmidt [Phys. Rev. DPRVDAQ1550-7998 79, 083518 (2009)10.1103/PhysRevD.79.083518], and extend the resolution up to k˜20h/Mpc for the measurement of the matter power spectrum. Based on our simulation results, we discuss how the chameleon mechanism affects the clustering of dark matter and halos on full nonlinear scales.

  20. N-body simulations for f(R) gravity using a self-adaptive particle-mesh code

    International Nuclear Information System (INIS)

    Zhao Gongbo; Koyama, Kazuya; Li Baojiu

    2011-01-01

    We perform high-resolution N-body simulations for f(R) gravity based on a self-adaptive particle-mesh code MLAPM. The chameleon mechanism that recovers general relativity on small scales is fully taken into account by self-consistently solving the nonlinear equation for the scalar field. We independently confirm the previous simulation results, including the matter power spectrum, halo mass function, and density profiles, obtained by Oyaizu et al.[Phys. Rev. D 78, 123524 (2008)] and Schmidt et al.[Phys. Rev. D 79, 083518 (2009)], and extend the resolution up to k∼20 h/Mpc for the measurement of the matter power spectrum. Based on our simulation results, we discuss how the chameleon mechanism affects the clustering of dark matter and halos on full nonlinear scales.

  1. A PARALLEL MONTE CARLO CODE FOR SIMULATING COLLISIONAL N-BODY SYSTEMS

    International Nuclear Information System (INIS)

    Pattabiraman, Bharath; Umbreit, Stefan; Liao, Wei-keng; Choudhary, Alok; Kalogera, Vassiliki; Memik, Gokhan; Rasio, Frederic A.

    2013-01-01

    We present a new parallel code for computing the dynamical evolution of collisional N-body systems with up to N ∼ 10 7 particles. Our code is based on the Hénon Monte Carlo method for solving the Fokker-Planck equation, and makes assumptions of spherical symmetry and dynamical equilibrium. The principal algorithmic developments involve optimizing data structures and the introduction of a parallel random number generation scheme as well as a parallel sorting algorithm required to find nearest neighbors for interactions and to compute the gravitational potential. The new algorithms we introduce along with our choice of decomposition scheme minimize communication costs and ensure optimal distribution of data and workload among the processing units. Our implementation uses the Message Passing Interface library for communication, which makes it portable to many different supercomputing architectures. We validate the code by calculating the evolution of clusters with initial Plummer distribution functions up to core collapse with the number of stars, N, spanning three orders of magnitude from 10 5 to 10 7 . We find that our results are in good agreement with self-similar core-collapse solutions, and the core-collapse times generally agree with expectations from the literature. Also, we observe good total energy conservation, within ∼ 5 , 128 for N = 10 6 and 256 for N = 10 7 . The runtime reaches saturation with the addition of processors beyond these limits, which is a characteristic of the parallel sorting algorithm. The resulting maximum speedups we achieve are approximately 60×, 100×, and 220×, respectively.

  2. N-body simulations of stars escaping from the Orion nebula

    NARCIS (Netherlands)

    Gualandris, A.; Portegies Zwart, S.F.; Eggleton, P.P.

    2004-01-01

    We study the dynamical interaction in which the two single runaway stars, AE Aurigæ and mu Columbæ, and the binary iota Orionis acquired their unusually high space velocity. The two single runaways move in almost opposite directions with a velocity greater than 100 km s-1 away from the Trapezium

  3. Speeding up N -body simulations of modified gravity: chameleon screening models

    Energy Technology Data Exchange (ETDEWEB)

    Bose, Sownak; Li, Baojiu; He, Jian-hua; Llinares, Claudio [Institute for Computational Cosmology, Department of Physics, Durham University, Durham DH1 3LE (United Kingdom); Barreira, Alexandre [Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Str. 1, 85741 Garching (Germany); Hellwing, Wojciech A.; Koyama, Kazuya [Institute of Cosmology and Gravitation, University of Portsmouth, Portsmouth PO1 3FX (United Kingdom); Zhao, Gong-Bo, E-mail: sownak.bose@durham.ac.uk, E-mail: baojiu.li@durham.ac.uk, E-mail: barreira@mpa-garching.mpg.de, E-mail: jianhua.he@durham.ac.uk, E-mail: wojciech.hellwing@port.ac.uk, E-mail: kazuya.koyama@port.ac.uk, E-mail: claudio.llinares@durham.ac.uk, E-mail: gbzhao@nao.cas.cn [National Astronomy Observatories, Chinese Academy of Science, Beijing, 100012 (China)

    2017-02-01

    We describe and demonstrate the potential of a new and very efficient method for simulating certain classes of modified gravity theories, such as the widely studied f ( R ) gravity models. High resolution simulations for such models are currently very slow due to the highly nonlinear partial differential equation that needs to be solved exactly to predict the modified gravitational force. This nonlinearity is partly inherent, but is also exacerbated by the specific numerical algorithm used, which employs a variable redefinition to prevent numerical instabilities. The standard Newton-Gauss-Seidel iterative method used to tackle this problem has a poor convergence rate. Our new method not only avoids this, but also allows the discretised equation to be written in a form that is analytically solvable. We show that this new method greatly improves the performance and efficiency of f ( R ) simulations. For example, a test simulation with 512{sup 3} particles in a box of size 512 Mpc/ h is now 5 times faster than before, while a Millennium-resolution simulation for f ( R ) gravity is estimated to be more than 20 times faster than with the old method. Our new implementation will be particularly useful for running very high resolution, large-sized simulations which, to date, are only possible for the standard model, and also makes it feasible to run large numbers of lower resolution simulations for covariance analyses. We hope that the method will bring us to a new era for precision cosmological tests of gravity.

  4. Speeding up N-body simulations of modified gravity: chameleon screening models

    Science.gov (United States)

    Bose, Sownak; Li, Baojiu; Barreira, Alexandre; He, Jian-hua; Hellwing, Wojciech A.; Koyama, Kazuya; Llinares, Claudio; Zhao, Gong-Bo

    2017-02-01

    We describe and demonstrate the potential of a new and very efficient method for simulating certain classes of modified gravity theories, such as the widely studied f(R) gravity models. High resolution simulations for such models are currently very slow due to the highly nonlinear partial differential equation that needs to be solved exactly to predict the modified gravitational force. This nonlinearity is partly inherent, but is also exacerbated by the specific numerical algorithm used, which employs a variable redefinition to prevent numerical instabilities. The standard Newton-Gauss-Seidel iterative method used to tackle this problem has a poor convergence rate. Our new method not only avoids this, but also allows the discretised equation to be written in a form that is analytically solvable. We show that this new method greatly improves the performance and efficiency of f(R) simulations. For example, a test simulation with 5123 particles in a box of size 512 Mpc/h is now 5 times faster than before, while a Millennium-resolution simulation for f(R) gravity is estimated to be more than 20 times faster than with the old method. Our new implementation will be particularly useful for running very high resolution, large-sized simulations which, to date, are only possible for the standard model, and also makes it feasible to run large numbers of lower resolution simulations for covariance analyses. We hope that the method will bring us to a new era for precision cosmological tests of gravity.

  5. Speeding up N -body simulations of modified gravity: chameleon screening models

    International Nuclear Information System (INIS)

    Bose, Sownak; Li, Baojiu; He, Jian-hua; Llinares, Claudio; Barreira, Alexandre; Hellwing, Wojciech A.; Koyama, Kazuya; Zhao, Gong-Bo

    2017-01-01

    We describe and demonstrate the potential of a new and very efficient method for simulating certain classes of modified gravity theories, such as the widely studied f ( R ) gravity models. High resolution simulations for such models are currently very slow due to the highly nonlinear partial differential equation that needs to be solved exactly to predict the modified gravitational force. This nonlinearity is partly inherent, but is also exacerbated by the specific numerical algorithm used, which employs a variable redefinition to prevent numerical instabilities. The standard Newton-Gauss-Seidel iterative method used to tackle this problem has a poor convergence rate. Our new method not only avoids this, but also allows the discretised equation to be written in a form that is analytically solvable. We show that this new method greatly improves the performance and efficiency of f ( R ) simulations. For example, a test simulation with 512 3 particles in a box of size 512 Mpc/ h is now 5 times faster than before, while a Millennium-resolution simulation for f ( R ) gravity is estimated to be more than 20 times faster than with the old method. Our new implementation will be particularly useful for running very high resolution, large-sized simulations which, to date, are only possible for the standard model, and also makes it feasible to run large numbers of lower resolution simulations for covariance analyses. We hope that the method will bring us to a new era for precision cosmological tests of gravity.

  6. Estimating non-circular motions in barred galaxies using numerical N-body simulations

    Science.gov (United States)

    Randriamampandry, T. H.; Combes, F.; Carignan, C.; Deg, N.

    2015-12-01

    The observed velocities of the gas in barred galaxies are a combination of the azimuthally averaged circular velocity and non-circular motions, primarily caused by gas streaming along the bar. These non-circular flows must be accounted for before the observed velocities can be used in mass modelling. In this work, we examine the performance of the tilted-ring method and the DISKFIT algorithm for transforming velocity maps of barred spiral galaxies into rotation curves (RCs) using simulated data. We find that the tilted-ring method, which does not account for streaming motions, under-/overestimates the circular motions when the bar is parallel/perpendicular to the projected major axis. DISKFIT, which does include streaming motions, is limited to orientations where the bar is not aligned with either the major or minor axis of the image. Therefore, we propose a method of correcting RCs based on numerical simulations of galaxies. We correct the RC derived from the tilted-ring method based on a numerical simulation of a galaxy with similar properties and projections as the observed galaxy. Using observations of NGC 3319, which has a bar aligned with the major axis, as a test case, we show that the inferred mass models from the uncorrected and corrected RCs are significantly different. These results show the importance of correcting for the non-circular motions and demonstrate that new methods of accounting for these motions are necessary as current methods fail for specific bar alignments.

  7. Satellite alignment. I. Distribution of substructures and their dependence on assembly history from n-body simulations

    International Nuclear Information System (INIS)

    Wang, Yang Ocean; Lin, W. P.; Yu, Yu; Kang, X.; Dutton, Aaron; Macciò, Andrea V.

    2014-01-01

    Observations have shown that the spatial distribution of satellite galaxies is not random, but aligned with the major axes of central galaxies. This alignment is dependent on galaxy properties, such that red satellites are more strongly aligned than blue satellites. Theoretical work conducted to interpret this phenomenon has found that it is due to the non-spherical nature of dark matter halos. However, most studies overpredict the alignment signal under the assumption that the central galaxy shape follows the shape of the host halo. It is also not clear whether the color dependence of alignment is due to an assembly bias or an evolution effect. In this paper we study these problems using a cosmological N-body simulation. Subhalos are used to trace the positions of satellite galaxies. It is found that the shapes of dark matter halos are mis-aligned at different radii. If the central galaxy shares the same shape as the inner host halo, then the alignment effect is weaker and agrees with observational data. However, it predicts almost no dependence of alignment on the color of satellite galaxies, though the late accreted subhalos show stronger alignment with the outer layer of the host halo than their early accreted counterparts. We find that this is due to the limitation of pure N-body simulations where satellite galaxies without associated subhalos ('orphan galaxies') are not resolved. These orphan (mostly red) satellites often reside in the inner region of host halos and should follow the shape of the host halo in the inner region.

  8. GRAPE-5: A Special-Purpose Computer for N-body Simulation

    OpenAIRE

    Kawai, Atsushi; Fukushige, Toshiyuki; Makino, Junichiro; Taiji, Makoto

    1999-01-01

    We have developed a special-purpose computer for gravitational many-body simulations, GRAPE-5. GRAPE-5 is the successor of GRAPE-3. Both consist of eight custom pipeline chips (G5 chip and GRAPE chip). The difference between GRAPE-5 and GRAPE-3 are: (1) The G5 chip contains two pipelines operating at 80 MHz, while the GRAPE chip had one at 20 MHz. Thus, the calculation speed of the G5 chip and that of GRAPE-5 board are 8 times faster than that of GRAPE chip and GRAPE-3 board. (2) The GRAPE-5 ...

  9. Selecting ultra-faint dwarf candidate progenitors in cosmological N-body simulations at high redshifts

    Science.gov (United States)

    Safarzadeh, Mohammadtaher; Ji, Alexander P.; Dooley, Gregory A.; Frebel, Anna; Scannapieco, Evan; Gómez, Facundo A.; O'Shea, Brian W.

    2018-06-01

    The smallest satellites of the Milky Way ceased forming stars during the epoch of reionization and thus provide archaeological access to galaxy formation at z > 6. Numerical studies of these ultrafaint dwarf galaxies (UFDs) require expensive cosmological simulations with high mass resolution that are carried out down to z = 0. However, if we are able to statistically identify UFD host progenitors at high redshifts with relatively high probabilities, we can avoid this high computational cost. To find such candidates, we analyse the merger trees of Milky Way type haloes from the high-resolution Caterpillar suite of dark matter only simulations. Satellite UFD hosts at z = 0 are identified based on four different abundance matching (AM) techniques. All the haloes at high redshifts are traced forward in time in order to compute the probability of surviving as satellite UFDs today. Our results show that selecting potential UFD progenitors based solely on their mass at z = 12 (8) results in a 10 per cent (20 per cent) chance of obtaining a surviving UFD at z = 0 in three of the AM techniques we adopted. We find that the progenitors of surviving satellite UFDs have lower virial ratios (η), and are preferentially located at large distances from the main MW progenitor, while they show no correlation with concentration parameter. Haloes with favorable locations and virial ratios are ≈3 times more likely to survive as satellite UFD candidates at z = 0.

  10. Cosmological N-body simulations with a tree code - Fluctuations in the linear and nonlinear regimes

    International Nuclear Information System (INIS)

    Suginohara, Tatsushi; Suto, Yasushi; Bouchet, F.R.; Hernquist, L.

    1991-01-01

    The evolution of gravitational systems is studied numerically in a cosmological context using a hierarchical tree algorithm with fully periodic boundary conditions. The simulations employ 262,144 particles, which are initially distributed according to scale-free power spectra. The subsequent evolution is followed in both flat and open universes. With this large number of particles, the discretized system can accurately model the linear phase. It is shown that the dynamics in the nonlinear regime depends on both the spectral index n and the density parameter Omega. In Omega = 1 universes, the evolution of the two-point correlation function Xi agrees well with similarity solutions for Xi greater than about 100 but its slope is steeper in open models with the same n. 28 refs

  11. The halo bispectrum in N-body simulations with non-Gaussian initial conditions

    Science.gov (United States)

    Sefusatti, E.; Crocce, M.; Desjacques, V.

    2012-10-01

    We present measurements of the bispectrum of dark matter haloes in numerical simulations with non-Gaussian initial conditions of local type. We show, in the first place, that the overall effect of primordial non-Gaussianity on the halo bispectrum is larger than on the halo power spectrum when all measurable configurations are taken into account. We then compare our measurements with a tree-level perturbative prediction, finding good agreement at large scales when the constant Gaussian bias parameter, both linear and quadratic, and their constant non-Gaussian corrections are fitted for. The best-fitting values of the Gaussian bias factors and their non-Gaussian, scale-independent corrections are in qualitative agreement with the peak-background split expectations. In particular, we show that the effect of non-Gaussian initial conditions on squeezed configurations is fairly large (up to 30 per cent for fNL = 100 at redshift z = 0.5) and results from contributions of similar amplitude induced by the initial matter bispectrum, scale-dependent bias corrections as well as from non-linear matter bispectrum corrections. We show, in addition, that effects at second order in fNL are irrelevant for the range of values allowed by cosmic microwave background and galaxy power spectrum measurements, at least on the scales probed by our simulations (k > 0.01 h Mpc-1). Finally, we present a Fisher matrix analysis to assess the possibility of constraining primordial non-Gaussianity with future measurements of the galaxy bispectrum. We find that a survey with a volume of about 10 h-3 Gpc3 at mean redshift z ≃ 1 could provide an error on fNL of the order of a few. This shows the relevance of a joint analysis of galaxy power spectrum and bispectrum in future redshift surveys.

  12. Keeping it real: revisiting a real-space approach to running ensembles of cosmological N-body simulations

    International Nuclear Information System (INIS)

    Orban, Chris

    2013-01-01

    In setting up initial conditions for ensembles of cosmological N-body simulations there are, fundamentally, two choices: either maximizing the correspondence of the initial density field to the assumed fourier-space clustering or, instead, matching to real-space statistics and allowing the DC mode (i.e. overdensity) to vary from box to box as it would in the real universe. As a stringent test of both approaches, I perform ensembles of simulations using power law and a ''powerlaw times a bump'' model inspired by baryon acoustic oscillations (BAO), exploiting the self-similarity of these initial conditions to quantify the accuracy of the matter-matter two-point correlation results. The real-space method, which was originally proposed by Pen 1997 [1] and implemented by Sirko 2005 [2], performed well in producing the expected self-similar behavior and corroborated the non-linear evolution of the BAO feature observed in conventional simulations, even in the strongly-clustered regime (σ 8 ∼>1). In revisiting the real-space method championed by [2], it was also noticed that this earlier study overlooked an important integral constraint correction to the correlation function in results from the conventional approach that can be important in ΛCDM simulations with L box ∼ −1 Gpc and on scales r∼>L box /10. Rectifying this issue shows that the fourier space and real space methods are about equally accurate and efficient for modeling the evolution and growth of the correlation function, contrary to previous claims. An appendix provides a useful independent-of-epoch analytic formula for estimating the importance of the integral constraint bias on correlation function measurements in ΛCDM simulations

  13. Comparing Results of SPH/N-body Impact Simulations Using Both Solid and Rubble-pile Target Asteroids

    Science.gov (United States)

    Durda, Daniel D.; Bottke, W. F.; Enke, B. L.; Nesvorný, D.; Asphaug, E.; Richardson, D. C.

    2006-09-01

    We have been investigating the properties of satellites and the morphology of size-frequency distributions (SFDs) resulting from a suite of 160 SPH/N-body simulations of impacts into 100-km diameter parent asteroids (Durda et al. 2004, Icarus 170, 243-257; Durda et al. 2006, Icarus, in press). These simulations have produced many valuable insights into the outcomes of cratering and disruptive impacts but were limited to monolithic basalt targets. As a natural consequence of collisional evolution, however, many asteroids have undergone a series of battering impacts that likely have left their interiors substantially fractured, if not completely rubblized. In light of this, we have re-mapped the matrix of simulations using rubble-pile target objects. We constructed the rubble-pile targets by filling the interior of the 100-km diameter spherical shell (the target envelope) with randomly sized solid spheres in mutual contact. We then assigned full damage (which reduces tensile and shear stresses to zero) to SPH particles in the contacts between the components; the remaining volume is void space. The internal spherical components have a power-law distribution of sizes simulating fragments of a pre-shattered parent object. First-look analysis of the rubble-pile results indicate some general similarities to the simulations with the monolithic targets (e.g., similar trends in the number of small, gravitationally bound satellite systems as a function of impact conditions) and some significant differences (e.g., size of largest remnants and smaller debris affecting size frequency distributions of resulting families). We will report details of a more thorough analysis and the implications for collisional models of the main asteroid belt. This work is supported by the National Science Foundation, grant number AST0407045.

  14. Transients from initial conditions based on Lagrangian perturbation theory in N-body simulations II: the effect of the transverse mode

    International Nuclear Information System (INIS)

    Tatekawa, Takayuki

    2014-01-01

    We study the initial conditions for cosmological N-body simulations for precision cosmology. In general, Zel'dovich approximation has been applied for the initial conditions of N-body simulations for a long time. These initial conditions provide incorrect higher-order growth. These error caused by setting up the initial conditions by perturbation theory is called transients. We investigated the impact of transient on non-Gaussianity of density field by performing cosmological N-body simulations with initial conditions based on first-, second-, and third-order Lagrangian perturbation theory in previous paper. In this paper, we evaluates the effect of the transverse mode in the third-order Lagrangian perturbation theory for several statistical quantities such as power spectrum and non-Gaussianty. Then we clarified that the effect of the transverse mode in the third-order Lagrangian perturbation theory is quite small

  15. MODELING PLANETARY SYSTEM FORMATION WITH N-BODY SIMULATIONS: ROLE OF GAS DISK AND STATISTICS COMPARED TO OBSERVATIONS

    International Nuclear Information System (INIS)

    Liu Huigen; Zhou Jilin; Wang Su

    2011-01-01

    During the late stage of planet formation, when Mars-sized cores appear, interactions among planetary cores can excite their orbital eccentricities, accelerate their merging, and thus sculpt their final orbital architecture. This study contributes to the final assembling of planetary systems with N-body simulations, including the type I or II migration of planets and gas accretion of massive cores in a viscous disk. Statistics on the final distributions of planetary masses, semimajor axes, and eccentricities are derived and are comparable to those of the observed systems. Our simulations predict some new orbital signatures of planetary systems around solar mass stars: 36% of the surviving planets are giant planets (>10 M + ). Most of the massive giant planets (>30 M + ) are located at 1-10 AU. Terrestrial planets are distributed more or less evenly at J in highly eccentric orbits (e > 0.3-0.4). The average eccentricity (∼0.15) of the giant planets (>10 M + ) is greater than that (∼0.05) of the terrestrial planets ( + ). A planetary system with more planets tends to have smaller planet masses and orbital eccentricities on average.

  16. Simulating the formation and evolution of galaxies with EvoL, the Padova N-body Tree-SPH code

    International Nuclear Information System (INIS)

    Merlin, E.; Chiosi, C.; Grassi, T.; Buonomo, U.; Chinellato, S.

    2009-01-01

    The importance of numerical simulations in astrophysics is constantly growing, because of the complexity, the multi-scaling properties and the non-linearity of many physical phenomena. In particular, cosmological and galaxy-sized simulations of structure formation have cast light on different aspects, giving answers to many questions, but raising a number of new issues to be investigated. Over the last decade, great effort has been devoted in Padova to develop a tool explicitly designed to study the problem of galaxy formation and evolution, with particular attention to the early-type ones. To this aim, many simulations have been run on CINECA supercomputers (see publications list below). The next step is the new release of EvoL, a Fortran N-body code capable to follow in great detail many different aspects of stellar, interstellar and cosmological physics. In particular, special care has been paid to the properties of stars and their interplay with the surrounding interstellar medium (ISM), as well as to the multiphase nature of the ISM, to the setting of the initial and boundary conditions, and to the correct description of gas physics via modern formulations of the classical Smoothed Particle Hydrodynamics algorithms. Moreover, a powerful tool to compare numerical predictions with observables has been developed, self-consistently closing the whole package. A library of new simulations, run with EvoL on CINECA supercomputers, is to be built in the next years, while new physics, including magnetic properties of matter and more exotic energy feedback effects, is to be added.

  17. Structure formation from non-Gaussian initial conditions: Multivariate biasing, statistics, and comparison with N-body simulations

    International Nuclear Information System (INIS)

    Giannantonio, Tommaso; Porciani, Cristiano

    2010-01-01

    We study structure formation in the presence of primordial non-Gaussianity of the local type with parameters f NL and g NL . We show that the distribution of dark-matter halos is naturally described by a multivariate bias scheme where the halo overdensity depends not only on the underlying matter density fluctuation δ but also on the Gaussian part of the primordial gravitational potential φ. This corresponds to a non-local bias scheme in terms of δ only. We derive the coefficients of the bias expansion as a function of the halo mass by applying the peak-background split to common parametrizations for the halo mass function in the non-Gaussian scenario. We then compute the halo power spectrum and halo-matter cross spectrum in the framework of Eulerian perturbation theory up to third order. Comparing our results against N-body simulations, we find that our model accurately describes the numerical data for wave numbers k≤0.1-0.3h Mpc -1 depending on redshift and halo mass. In our multivariate approach, perturbations in the halo counts trace φ on large scales, and this explains why the halo and matter power spectra show different asymptotic trends for k→0. This strongly scale-dependent bias originates from terms at leading order in our expansion. This is different from what happens using the standard univariate local bias where the scale-dependent terms come from badly behaved higher-order corrections. On the other hand, our biasing scheme reduces to the usual local bias on smaller scales, where |φ| is typically much smaller than the density perturbations. We finally discuss the halo bispectrum in the context of multivariate biasing and show that, due to its strong scale and shape dependence, it is a powerful tool for the detection of primordial non-Gaussianity from future galaxy surveys.

  18. COUNTS-IN-CYLINDERS IN THE SLOAN DIGITAL SKY SURVEY WITH COMPARISONS TO N-BODY SIMULATIONS

    International Nuclear Information System (INIS)

    Berrier, Heather D.; Barton, Elizabeth J.; Bullock, James S.; Berrier, Joel C.; Zentner, Andrew R.; Wechsler, Risa H.

    2011-01-01

    Environmental statistics provide a necessary means of comparing the properties of galaxies in different environments, and a vital test of models of galaxy formation within the prevailing hierarchical cosmological model. We explore counts-in-cylinders, a common statistic defined as the number of companions of a particular galaxy found within a given projected radius and redshift interval. Galaxy distributions with the same two-point correlation functions do not necessarily have the same companion count distributions. We use this statistic to examine the environments of galaxies in the Sloan Digital Sky Survey Data Release 4 (SDSS DR4). We also make preliminary comparisons to four models for the spatial distributions of galaxies, based on N-body simulations and data from SDSS DR4, to study the utility of the counts-in-cylinders statistic. There is a very large scatter between the number of companions a galaxy has and the mass of its parent dark matter halo and the halo occupation, limiting the utility of this statistic for certain kinds of environmental studies. We also show that prevalent empirical models of galaxy clustering, that match observed two- and three-point clustering statistics well, fail to reproduce some aspects of the observed distribution of counts-in-cylinders on 1, 3, and 6 h -1 Mpc scales. All models that we explore underpredict the fraction of galaxies with few or no companions in 3 and 6 h -1 Mpc cylinders. Roughly 7% of galaxies in the real universe are significantly more isolated within a 6 h -1 Mpc cylinder than the galaxies in any of the models we use. Simple phenomenological models that map galaxies to dark matter halos fail to reproduce high-order clustering statistics in low-density environments.

  19. Simulations of collisions between N-body classical systems in interaction; Simulations de collisions entre systemes classiques a n-corps en interaction

    Energy Technology Data Exchange (ETDEWEB)

    Morisseau, Francois [Laboratoire de Physique Corpusculaire de CAEN, ENSICAEN, Universite de Caen Basse-Normandie, UFR des Sciences, 6 bd Marechal Juin, 14050 Caen Cedex (France)

    2006-05-15

    The Classical N-body Dynamics (CNBD) is dedicated to the simulation of collisions between classical systems. The 2-body interaction used here has the properties of the Van der Waals potential and depends on just a few parameters. This work has two main goals. First, some theoretical approaches assume that the dynamical stage of the collisions plays an important role. Moreover, colliding nuclei are supposed to present a 1. order liquid-gas phase transition. Several signals have been introduced to show this transition. We have searched for two of them: the bimodality of the mass asymmetry and negative heat capacity. We have found them and we give an explanation of their presence in our calculations. Second, we have improved the interaction by adding a Coulomb like potential and by taking into account the stronger proton-neutron interaction in nuclei. Then we have figured out the relations that exist between the parameters of the 2-body interaction and the properties of the systems. These studies allow us to fit the properties of the classical systems to those of the nuclei. In this manuscript the first results of this fit are shown. (author)

  20. PROBING THE ROLE OF DYNAMICAL FRICTION IN SHAPING THE BSS RADIAL DISTRIBUTION. I. SEMI-ANALYTICAL MODELS AND PRELIMINARY N-BODY SIMULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Miocchi, P.; Lanzoni, B.; Ferraro, F. R.; Dalessandro, E.; Alessandrini, E. [Dipartimento di Fisica e Astronomia, Università di Bologna, Viale Berti Pichat 6/2, I-40127 Bologna (Italy); Pasquato, M.; Lee, Y.-W. [Department of Astronomy and Center for Galaxy Evolution Research, Yonsei University, Seoul 120-749 (Korea, Republic of); Vesperini, E. [Department of Astronomy, Indiana University, Bloomington, IN 47405 (United States)

    2015-01-20

    We present semi-analytical models and simplified N-body simulations with 10{sup 4} particles aimed at probing the role of dynamical friction (DF) in determining the radial distribution of blue straggler stars (BSSs) in globular clusters. The semi-analytical models show that DF (which is the only evolutionary mechanism at work) is responsible for the formation of a bimodal distribution with a dip progressively moving toward the external regions of the cluster. However, these models fail to reproduce the formation of the long-lived central peak observed in all dynamically evolved clusters. The results of N-body simulations confirm the formation of a sharp central peak, which remains as a stable feature over time regardless of the initial concentration of the system. In spite of noisy behavior, a bimodal distribution forms in many cases, with the size of the dip increasing as a function of time. In the most advanced stages, the distribution becomes monotonic. These results are in agreement with the observations. Also, the shape of the peak and the location of the minimum (which, in most of cases, is within 10 core radii) turn out to be consistent with observational results. For a more detailed and close comparison with observations, including a proper calibration of the timescales of the dynamical processes driving the evolution of the BSS spatial distribution, more realistic simulations will be necessary.

  1. Star formation in N-body simulations .1. The impact of the stellar ultraviolet radiation on star formation

    NARCIS (Netherlands)

    Gerritsen, JPE; Icke, [No Value

    We present numerical simulations of isolated disk galaxies including gas dynamics and star formation. The gas is allowed to cool to 10 K, while heating of the gas is provided by the far-ultraviolet flux of all stars. Stars are allowed to form from the gas according to a Jeans instability criterion:

  2. Initial conditions for cosmological N-body simulations of the scalar sector of theories of Newtonian, Relativistic and Modified Gravity

    International Nuclear Information System (INIS)

    Valkenburg, Wessel; Hu, Bin

    2015-01-01

    We present a description for setting initial particle displacements and field values for simulations of arbitrary metric theories of gravity, for perfect and imperfect fluids with arbitrary characteristics. We extend the Zel'dovich Approximation to nontrivial theories of gravity, and show how scale dependence implies curved particle paths, even in the entirely linear regime of perturbations. For a viable choice of Effective Field Theory of Modified Gravity, initial conditions set at high redshifts are affected at the level of up to 5% at Mpc scales, which exemplifies the importance of going beyond Λ-Cold Dark Matter initial conditions for modifications of gravity outside of the quasi-static approximation. In addition, we show initial conditions for a simulation where a scalar modification of gravity is modelled in a Lagrangian particle-like description. Our description paves the way for simulations and mock galaxy catalogs under theories of gravity beyond the standard model, crucial for progress towards precision tests of gravity and cosmology

  3. PHoToNs–A parallel heterogeneous and threads oriented code for cosmological N-body simulation

    Science.gov (United States)

    Wang, Qiao; Cao, Zong-Yan; Gao, Liang; Chi, Xue-Bin; Meng, Chen; Wang, Jie; Wang, Long

    2018-06-01

    We introduce a new code for cosmological simulations, PHoToNs, which incorporates features for performing massive cosmological simulations on heterogeneous high performance computer (HPC) systems and threads oriented programming. PHoToNs adopts a hybrid scheme to compute gravitational force, with the conventional Particle-Mesh (PM) algorithm to compute the long-range force, the Tree algorithm to compute the short range force and the direct summation Particle-Particle (PP) algorithm to compute gravity from very close particles. A self-similar space filling a Peano-Hilbert curve is used to decompose the computing domain. Threads programming is advantageously used to more flexibly manage the domain communication, PM calculation and synchronization, as well as Dual Tree Traversal on the CPU+MIC platform. PHoToNs scales well and efficiency of the PP kernel achieves 68.6% of peak performance on MIC and 74.4% on CPU platforms. We also test the accuracy of the code against the much used Gadget-2 in the community and found excellent agreement.

  4. N-body simulation for self-gravitating collisional systems with a new SIMD instruction set extension to the x86 architecture, Advanced Vector eXtensions

    Science.gov (United States)

    Tanikawa, Ataru; Yoshikawa, Kohji; Okamoto, Takashi; Nitadori, Keigo

    2012-02-01

    We present a high-performance N-body code for self-gravitating collisional systems accelerated with the aid of a new SIMD instruction set extension of the x86 architecture: Advanced Vector eXtensions (AVX), an enhanced version of the Streaming SIMD Extensions (SSE). With one processor core of Intel Core i7-2600 processor (8 MB cache and 3.40 GHz) based on Sandy Bridge micro-architecture, we implemented a fourth-order Hermite scheme with individual timestep scheme ( Makino and Aarseth, 1992), and achieved the performance of ˜20 giga floating point number operations per second (GFLOPS) for double-precision accuracy, which is two times and five times higher than that of the previously developed code implemented with the SSE instructions ( Nitadori et al., 2006b), and that of a code implemented without any explicit use of SIMD instructions with the same processor core, respectively. We have parallelized the code by using so-called NINJA scheme ( Nitadori et al., 2006a), and achieved ˜90 GFLOPS for a system containing more than N = 8192 particles with 8 MPI processes on four cores. We expect to achieve about 10 tera FLOPS (TFLOPS) for a self-gravitating collisional system with N ˜ 10 5 on massively parallel systems with at most 800 cores with Sandy Bridge micro-architecture. This performance will be comparable to that of Graphic Processing Unit (GPU) cluster systems, such as the one with about 200 Tesla C1070 GPUs ( Spurzem et al., 2010). This paper offers an alternative to collisional N-body simulations with GRAPEs and GPUs.

  5. The morphological evolution and internal convection of ExB-drifting plasma clouds: Theory, dielectric-in-cell simulations, and N-body dielectric simulations

    International Nuclear Information System (INIS)

    Borovsky, J.E.; Hansen, P.J.

    1998-01-01

    The evolution of ExB-drifting plasma clouds is investigated with the aid of a computational technique denoted here as open-quotes dielectric-in-cell.close quotes Many of the familiar phenomena associated with clouds of collisionless plasma are seen and explained and less-well-known phenomena associated with convection patterns, with the stripping of cloud material, and with the evolution of plasma clouds composed of differing ion species are investigated. The effects of spatially uniform diffusion are studied with the dielectric-in-cell technique and with another computational technique denoted as open-quotes N-body dielectric;close quotes the suppression of convection, the suppression of structure growth, the increase in material stripping, and the evolution of cloud anisotropy are examined. copyright 1998 American Institute of Physics

  6. Visualizing astrophysical N-body systems

    International Nuclear Information System (INIS)

    Dubinski, John

    2008-01-01

    I begin with a brief history of N-body simulation and visualization and then go on to describe various methods for creating images and animations of modern simulations in cosmology and galactic dynamics. These techniques are incorporated into a specialized particle visualization software library called MYRIAD that is designed to render images within large parallel N-body simulations as they run. I present several case studies that explore the application of these methods to animations in star clusters, interacting galaxies and cosmological structure formation.

  7. KiDS-450: cosmological constraints from weak-lensing peak statistics - II: Inference from shear peaks using N-body simulations

    Science.gov (United States)

    Martinet, Nicolas; Schneider, Peter; Hildebrandt, Hendrik; Shan, HuanYuan; Asgari, Marika; Dietrich, Jörg P.; Harnois-Déraps, Joachim; Erben, Thomas; Grado, Aniello; Heymans, Catherine; Hoekstra, Henk; Klaes, Dominik; Kuijken, Konrad; Merten, Julian; Nakajima, Reiko

    2018-02-01

    We study the statistics of peaks in a weak-lensing reconstructed mass map of the first 450 deg2 of the Kilo Degree Survey (KiDS-450). The map is computed with aperture masses directly applied to the shear field with an NFW-like compensated filter. We compare the peak statistics in the observations with that of simulations for various cosmologies to constrain the cosmological parameter S_8 = σ _8 √{Ω _m/0.3}, which probes the (Ωm, σ8) plane perpendicularly to its main degeneracy. We estimate S8 = 0.750 ± 0.059, using peaks in the signal-to-noise range 0 ≤ S/N ≤ 4, and accounting for various systematics, such as multiplicative shear bias, mean redshift bias, baryon feedback, intrinsic alignment, and shear-position coupling. These constraints are ˜ 25 per cent tighter than the constraints from the high significance peaks alone (3 ≤ S/N ≤ 4) which typically trace single-massive haloes. This demonstrates the gain of information from low-S/N peaks. However, we find that including S/N KiDS-450. Combining shear peaks with non-tomographic measurements of the shear two-point correlation functions yields a ˜20 per cent improvement in the uncertainty on S8 compared to the shear two-point correlation functions alone, highlighting the great potential of peaks as a cosmological probe.

  8. Simulation of Intelligent Single Wheel Mobile Robot

    Directory of Open Access Journals (Sweden)

    Maki K. Rashid

    2008-11-01

    Full Text Available Stabilization of a single wheel mobile robot attracted researcher attentions in robotic area. However, the budget requirements for building experimental setups capable in investigating isolated parameters and implementing others encouraged the development of new simulation methods and techniques that beat such limitations. In this work we have developed a simulation platform for testing different control tactics to stabilize a single wheel mobile robot. The graphic representation of the robot, the dynamic solution, and, the control scheme are all integrated on common computer platform using Visual Basic. Simulation indicates that we can control such robot without knowing the detail of it's internal structure or dynamics behaviour just by looking at it and using manual operation tactics. Twenty five rules are extracted and implemented using Takagi-Sugeno's fuzzy controller with significant achievement in controlling robot motion during the dynamic simulation. The resulted data from the successful implementation of the fuzzy model are used to utilize and train a neurofuzzy controller using ANFIS scheme to produce further improvement in robot performance

  9. An N-body Integrator for Planetary Rings

    Science.gov (United States)

    Hahn, Joseph M.

    2011-04-01

    A planetary ring that is disturbed by a satellite's resonant perturbation can respond in an organized way. When the resonance lies in the ring's interior, the ring responds via an m-armed spiral wave, while a ring whose edge is confined by the resonance exhibits an m-lobed scalloping along the ring-edge. The amplitude of these disturbances are sensitive to ring surface density and viscosity, so modelling these phenomena can provide estimates of the ring's properties. However a brute force attempt to simulate a ring's full azimuthal extent with an N-body code will likely fail because of the large number of particles needed to resolve the ring's behavior. Another impediment is the gravitational stirring that occurs among the simulated particles, which can wash out the ring's organized response. However it is possible to adapt an N-body integrator so that it can simulate a ring's collective response to resonant perturbations. The code developed here uses a few thousand massless particles to trace streamlines within the ring. Particles are close in a radial sense to these streamlines, which allows streamlines to be treated as straight wires of constant linear density. Consequently, gravity due to these streamline is a simple function of the particle's radial distance to all streamlines. And because particles are responding to smooth gravitating streamlines, rather than discrete particles, this method eliminates the stirring that ordinarily occurs in brute force N-body calculations. Note also that ring surface density is now a simple function of streamline separations, so effects due to ring pressure and viscosity are easily accounted for, too. A poster will describe this N-body method in greater detail. Simulations of spiral density waves and scalloped ring-edges are executed in typically ten minutes on a desktop PC, and results for Saturn's A and B rings will be presented at conference time.

  10. Single-sector thermophysiological human simulator

    International Nuclear Information System (INIS)

    Psikuta, Agnieszka; Richards, Mark; Fiala, Dusan

    2008-01-01

    Thermal sweating manikins are used to analyse the heat and mass transfer phenomena in the skin–clothing–environment system. However, the limiting factor of present thermal manikins is their inability to simulate adequately the human thermal behaviour, which has a significant effect on the clothing microenvironment. A mathematical model of the human physiology was, therefore, incorporated into the system control to simulate human thermoregulatory responses and the perception of thermal comfort over a wide range of environmental and personal conditions. Thereby, the computer model provides the physiological intelligence, while the hardware is used to measure the required calorimetric states relevant to the human heat exchange with the environment. This paper describes the development of a single-sector thermophysiological human simulator, which consists of a sweating heated cylinder 'Torso' coupled with the iesd-Fiala multi-node model of human physiology and thermal comfort. Validation tests conducted for steady-state and, to some extent, transient conditions ranging from cold to hot revealed good agreement with the corresponding experimental results obtained for semi-nude subjects. The new coupled system enables overall physiological and comfort responses, health risk and survival conditions to be predicted for adult humans for various scenarios

  11. Constructing high-quality bounding volume hierarchies for N-body computation using the acceptance volume heuristic

    Science.gov (United States)

    Olsson, O.

    2018-01-01

    We present a novel heuristic derived from a probabilistic cost model for approximate N-body simulations. We show that this new heuristic can be used to guide tree construction towards higher quality trees with improved performance over current N-body codes. This represents an important step beyond the current practice of using spatial partitioning for N-body simulations, and enables adoption of a range of state-of-the-art algorithms developed for computer graphics applications to yield further improvements in N-body simulation performance. We outline directions for further developments and review the most promising such algorithms.

  12. An Advanced N -body Model for Interacting Multiple Stellar Systems

    Energy Technology Data Exchange (ETDEWEB)

    Brož, Miroslav [Astronomical Institute of the Charles University, Faculty of Mathematics and Physics, V Holešovičkách 2, CZ-18000 Praha 8 (Czech Republic)

    2017-06-01

    We construct an advanced model for interacting multiple stellar systems in which we compute all trajectories with a numerical N -body integrator, namely the Bulirsch–Stoer from the SWIFT package. We can then derive various observables: astrometric positions, radial velocities, minima timings (TTVs), eclipse durations, interferometric visibilities, closure phases, synthetic spectra, spectral energy distribution, and even complete light curves. We use a modified version of the Wilson–Devinney code for the latter, in which the instantaneous true phase and inclination of the eclipsing binary are governed by the N -body integration. If all of these types of observations are at one’s disposal, a joint χ {sup 2} metric and an optimization algorithm (a simplex or simulated annealing) allow one to search for a global minimum and construct very robust models of stellar systems. At the same time, our N -body model is free from artifacts that may arise if mutual gravitational interactions among all components are not self-consistently accounted for. Finally, we present a number of examples showing dynamical effects that can be studied with our code and we discuss how systematic errors may affect the results (and how to prevent this from happening).

  13. Sampling general N-body interactions with auxiliary fields

    Science.gov (United States)

    Körber, C.; Berkowitz, E.; Luu, T.

    2017-09-01

    We present a general auxiliary field transformation which generates effective interactions containing all possible N-body contact terms. The strength of the induced terms can analytically be described in terms of general coefficients associated with the transformation and thus are controllable. This transformation provides a novel way for sampling 3- and 4-body (and higher) contact interactions non-perturbatively in lattice quantum Monte Carlo simulations. As a proof of principle, we show that our method reproduces the exact solution for a two-site quantum mechanical problem.

  14. Numerical simulation of single bubble boiling behavior

    Directory of Open Access Journals (Sweden)

    Junjie Liu

    2017-06-01

    Full Text Available The phenomena of a single bubble boiling process are studied with numerical modeling. The mass, momentum, energy and level set equations are solved using COMSOL multi-physics software. The bubble boiling dynamics, the transient pressure field, velocity field and temperature field in time are analyzed, and reasonable results are obtained. The numeral model is validated by the empirical equation of Fritz and could be used for various applications.

  15. Investigation on single carbon atom transporting through the single-walled carbon nanotube by MD simulation

    International Nuclear Information System (INIS)

    Ding Yinfeng; Zhang Zhibin; Ke Xuezhi; Zhu Zhiyuan; Zhu Dezhang; Wang Zhenxia; Xu Hongjie

    2005-01-01

    The single carbon atom transporting through the single-walled carbon nanotube has been studied by molecular-dynamics (MD) simulation. We got different trajectories of the carbon atom by changing the input parameters. The simulation results indicate that the single carbon atom with low energy can transport through the carbon nanotube under some input conditions and result in different trajectories being straight line or 'rosette' or circular. (authors)

  16. Simulation of a single basin solar still

    International Nuclear Information System (INIS)

    Ammari, D. H.

    1998-01-01

    A simulation of a simple solar powered water desalination still is attempted in order to investigate its performance and assess the productivity of potable water in different regions in Jordan representing the Rift Valley, high mountains and plateau, and desert. The potable water productivity and unit efficiency were estimated per day, month and year of hourly operation. The results obtained have indicated that maximum annual daily average output of potable water is achieved in Aqaba at the south end of the Rift Valley and at a rate of 5.425 kg/m 2 , and a minimum output in Ghor Safi at the centre of the Rift Valley with a rate of 4.550 kg/m 2 . Wadi Dhulail in the eastern desert and Amman in the mountains and plateau region come second and third, respectively, in regards to annual daily average yield of potable water. The still's performance is evaluated in terms of the overall efficiency that has reached as high as 60% in June and as low as 40% in december with the still in Aqaba claiming the best performance.Furthermore, correlations approximating the still's daily output at the various locations based on daily solar radiation levels are proposed. (Author). 13 refs., 10 figs

  17. Distribution-independent hierarchicald N-body methods

    International Nuclear Information System (INIS)

    Aluru, S.

    1994-01-01

    The N-body problem is to simulate the motion of N particles under the influence of mutual force fields based on an inverse square law. The problem has applications in several domains including astrophysics, molecular dynamics, fluid dynamics, radiosity methods in computer graphics and numerical complex analysis. Research efforts have focused on reducing the O(N 2 ) time per iteration required by the naive algorithm of computing each pairwise interaction. Widely respected among these are the Barnes-Hut and Greengard methods. Greengard claims his algorithm reduces the complexity to O(N) time per iteration. Throughout this thesis, we concentrate on rigorous, distribution-independent, worst-case analysis of the N-body methods. We show that Greengard's algorithm is not O(N), as claimed. Both Barnes-Hut and Greengard's methods depend on the same data structure, which we show is distribution-dependent. For the distribution that results in the smallest running time, we show that Greengard's algorithm is Ω(N log 2 N) in two dimensions and Ω(N log 4 N) in three dimensions. We have designed a hierarchical data structure whose size depends entirely upon the number of particles and is independent of the distribution of the particles. We show that both Greengard's and Barnes-Hut algorithms can be used in conjunction with this data structure to reduce their complexity. Apart from reducing the complexity of the Barnes-Hut algorithm, the data structure also permits more accurate error estimation. We present two- and three-dimensional algorithms for creating the data structure. The multipole method designed using this data structure has a complexity of O(N log N) in two dimensions and O(N log 2 N) in three dimensions

  18. Monte Carlo simulated dynamical magnetization of single-chain magnets

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jun; Liu, Bang-Gui, E-mail: bgliu@iphy.ac.cn

    2015-03-15

    Here, a dynamical Monte-Carlo (DMC) method is used to study temperature-dependent dynamical magnetization of famous Mn{sub 2}Ni system as typical example of single-chain magnets with strong magnetic anisotropy. Simulated magnetization curves are in good agreement with experimental results under typical temperatures and sweeping rates, and simulated coercive fields as functions of temperature are also consistent with experimental curves. Further analysis indicates that the magnetization reversal is determined by both thermal-activated effects and quantum spin tunnelings. These can help explore basic properties and applications of such important magnetic systems. - Highlights: • Monte Carlo simulated magnetization curves are in good agreement with experimental results. • Simulated coercive fields as functions of temperature are consistent with experimental results. • The magnetization reversal is understood in terms of the Monte Carlo simulations.

  19. N-Body Simulations of Tidal Encounters between Stellar Systems

    Indian Academy of Sciences (India)

    tribpo

    Saleh Mohammed Alladin† International Centre for Theoretical Physics, ... concentrate on how the tidal field of the primary changes the mass distribution, energy and angular momentum ..... International School for Advanced Studies, Trieste.

  20. Numerical simulations of seepage flow in rough single rock fractures

    Directory of Open Access Journals (Sweden)

    Qingang Zhang

    2015-09-01

    Full Text Available To investigate the relationship between the structural characteristics and seepage flow behavior of rough single rock fractures, a set of single fracture physical models were produced using the Weierstrass–Mandelbrot functions to test the seepage flow performance. Six single fractures, with various surface roughnesses characterized by fractal dimensions, were built using COMSOL multiphysics software. The fluid flow behavior through the rough fractures and the influences of the rough surfaces on the fluid flow behavior was then monitored. The numerical simulation indicates that there is a linear relationship between the average flow velocity over the entire flow path and the fractal dimension of the rough surface. It is shown that there is good a agreement between the numerical results and the experimental data in terms of the properties of the fluid flowing through the rough single rock fractures.

  1. OSL sensitivity changes during single aliquot procedures: Computer simulations

    DEFF Research Database (Denmark)

    McKeever, S.W.S.; Agersnap Larsen, N.; Bøtter-Jensen, L.

    1997-01-01

    We present computer simulations of sensitivity changes obtained during single aliquot, regeneration procedures. The simulations indicate that the sensitivity changes are the combined result of shallow trap and deep trap effects. Four separate processes have been identified. Although procedures can...... be suggested to eliminate the shallow trap effects, it appears that the deep trap effects cannot be removed. The character of the sensitivity changes which result from these effects is seen to be dependent upon several external parameters, including the extent of bleaching of the OSL signal, the laboratory...

  2. Device simulation of charge collection and single-event upset

    International Nuclear Information System (INIS)

    Dodd, P.E.

    1996-01-01

    In this paper the author reviews the current status of device simulation of ionizing-radiation-induced charge collection and single-event upset (SEU), with an emphasis on significant results of recent years. The author presents an overview of device-modeling techniques applicable to the SEU problem and the unique challenges this task presents to the device modeler. He examines unloaded simulations of radiation-induced charge collection in simple p/n diodes, SEU in dynamic random access memories (DRAM's), and SEU in static random access memories (SRAM's). The author concludes with a few thoughts on future issues likely to confront the SEU device modeler

  3. Markov chain analysis of single spin flip Ising simulations

    International Nuclear Information System (INIS)

    Hennecke, M.

    1997-01-01

    The Markov processes defined by random and loop-based schemes for single spin flip attempts in Monte Carlo simulations of the 2D Ising model are investigated, by explicitly constructing their transition matrices. Their analysis reveals that loops over all lattice sites using a Metropolis-type single spin flip probability often do not define ergodic Markov chains, and have distorted dynamical properties even if they are ergodic. The transition matrices also enable a comparison of the dynamics of random versus loop spin selection and Glauber versus Metropolis probabilities

  4. Minimal coupling schemes in N-body reaction theory

    International Nuclear Information System (INIS)

    Picklesimer, A.; Tandy, P.C.; Thaler, R.M.

    1982-01-01

    A new derivation of the N-body equations of Bencze, Redish, and Sloan is obtained through the use of Watson-type multiple scattering techniques. The derivation establishes an intimate connection between these partition-labeled N-body equations and the particle-labeled Rosenberg equations. This result yields new insight into the implicit role of channel coupling in, and the minimal dimensionality of, the partition-labeled equations

  5. Simulation and analysis of single-ribosome translation

    International Nuclear Information System (INIS)

    Tinoco, Ignacio Jr; Wen, Jin-Der

    2009-01-01

    In the cell, proteins are synthesized by ribosomes in a multi-step process called translation. The ribosome translocates along the messenger RNA to read the codons that encode the amino acid sequence of a protein. Elongation factors, including EF-G and EF-Tu, are used to catalyze the process. Recently, we have shown that translation can be followed at the single-molecule level using optical tweezers; this technique allows us to study the kinetics of translation by measuring the lifetime the ribosome spends at each codon. Here, we analyze the data from single-molecule experiments and fit the data with simple kinetic models. We also simulate the translation kinetics based on a multi-step mechanism from ensemble kinetic measurements. The mean lifetimes from the simulation were consistent with our experimental single-molecule measurements. We found that the calculated lifetime distributions were fit in general by equations with up to five rate-determining steps. Two rate-determining steps were only obtained at low concentrations of elongation factors. These analyses can be used to design new single-molecule experiments to better understand the kinetics and mechanism of translation

  6. A combined N-body and hydrodynamic code for modeling disk galaxies

    International Nuclear Information System (INIS)

    Schroeder, M.C.

    1989-01-01

    A combined N-body and hydrodynamic computer code for the modeling of two dimensional galaxies is described. The N-body portion of the code is used to calculate the motion of the particle component of a galaxy, while the hydrodynamics portion of the code is used to follow the motion and evolution of the fluid component. A complete description of the numerical methods used for each portion of the code is given. Additionally, the proof tests of the separate and combined portions of the code are presented and discussed. Finally, a discussion of the topics researched with the code and results obtained is presented. These include: the measurement of stellar relaxation times in disk galaxy simulations; the effects of two-armed spiral perturbations on stable axisymmetric disks; the effects of the inclusion of an instellar medium (ISM) on the stability of disk galaxies; and the effect of the inclusion of stellar evolution on disk galaxy simulations

  7. Speeding up N-body Calculations on Machines without Hardware Square Root

    Directory of Open Access Journals (Sweden)

    Alan H. Karp

    1992-01-01

    Full Text Available The most time consuming part of an N-body simulation is computing the components of the accelerations of the particles. On most machines the slowest part of computing the acceleration is in evaluating r-3/2, which is especially true on machines that do the square root in software. This note shows how to cut the time for this part of the calculation by a factor of 3 or more using standard Fortran.

  8. Non-instantaneous gas recycling and chemical evolution in N-body disk galaxies

    Czech Academy of Sciences Publication Activity Database

    Jungwiert, Bruno; Carraro, G.; Dalla Vecchia, C.

    2004-01-01

    Roč. 289, 3-4 (2004), s. 441-444 ISSN 0004-640X. [From observations to self-consistent modelling of the ISM in galaxies. Porto, 03.09.2002-05.09.2002] R&D Projects: GA ČR GP202/01/D075 Institutional research plan: CEZ:AV0Z1003909 Keywords : N-body simulations * galaxy evolution * gas recycling Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 0.597, year: 2004

  9. Single photon laser altimeter simulator and statistical signal processing

    Science.gov (United States)

    Vacek, Michael; Prochazka, Ivan

    2013-05-01

    Spaceborne altimeters are common instruments onboard the deep space rendezvous spacecrafts. They provide range and topographic measurements critical in spacecraft navigation. Simultaneously, the receiver part may be utilized for Earth-to-satellite link, one way time transfer, and precise optical radiometry. The main advantage of single photon counting approach is the ability of processing signals with very low signal-to-noise ratio eliminating the need of large telescopes and high power laser source. Extremely small, rugged and compact microchip lasers can be employed. The major limiting factor, on the other hand, is the acquisition time needed to gather sufficient volume of data in repetitive measurements in order to process and evaluate the data appropriately. Statistical signal processing is adopted to detect signals with average strength much lower than one photon per measurement. A comprehensive simulator design and range signal processing algorithm are presented to identify a mission specific altimeter configuration. Typical mission scenarios (celestial body surface landing and topographical mapping) are simulated and evaluated. The high interest and promising single photon altimeter applications are low-orbit (˜10 km) and low-radial velocity (several m/s) topographical mapping (asteroids, Phobos and Deimos) and landing altimetry (˜10 km) where range evaluation repetition rates of ˜100 Hz and 0.1 m precision may be achieved. Moon landing and asteroid Itokawa topographical mapping scenario simulations are discussed in more detail.

  10. Efficient nonparametric n -body force fields from machine learning

    Science.gov (United States)

    Glielmo, Aldo; Zeni, Claudio; De Vita, Alessandro

    2018-05-01

    We provide a definition and explicit expressions for n -body Gaussian process (GP) kernels, which can learn any interatomic interaction occurring in a physical system, up to n -body contributions, for any value of n . The series is complete, as it can be shown that the "universal approximator" squared exponential kernel can be written as a sum of n -body kernels. These recipes enable the choice of optimally efficient force models for each target system, as confirmed by extensive testing on various materials. We furthermore describe how the n -body kernels can be "mapped" on equivalent representations that provide database-size-independent predictions and are thus crucially more efficient. We explicitly carry out this mapping procedure for the first nontrivial (three-body) kernel of the series, and we show that this reproduces the GP-predicted forces with meV /Å accuracy while being orders of magnitude faster. These results pave the way to using novel force models (here named "M-FFs") that are computationally as fast as their corresponding standard parametrized n -body force fields, while retaining the nonparametric character, the ease of training and validation, and the accuracy of the best recently proposed machine-learning potentials.

  11. Fuel rod simulator effects in flooding experiments single rod tests

    International Nuclear Information System (INIS)

    Nishida, M.

    1984-09-01

    The influence of a gas filled gap between cladding and pellet on the quenching behavior of a PWR fuel rod during the reflood phase of a LOCA has been investigated. Flooding experiments were conducted with a short length electrically heated single fuel rod simulator surrounded by glass housing. The gap of 0.05 mm width between the Zircaloy cladding and the internal Al 2 O 3 pellets of the rod was filled either wit helium or with argon to vary the radial heat resistance across the gap. This report presents some typical data and an evaluation of the reflood behavior of the fuel rod simulator used. The results show that the quench front propagates faster for increasing heat resistance in the gap between cladding and heat source of the rod. (orig.) [de

  12. Single Stage To Orbit Minimum Requirements Through Numerical Simulation

    Science.gov (United States)

    Teixeira, E.

    It is widely known that producing a single stage to orbit spacecraft is no easy task. It is also understood that it will be the first steady step towards spacecraft that operate in much the same way as today's airliners. This, in turn is believed to decrease the economical cost of reaching space through more efficient use of a single vehicle and higher launch rates. Space is then open to the common man, either through tourism or as a transportation medium. This paper is yet another study on the physical requirements of a SSTO spacecraft. It will begin with simple assumptions and gradually build up accuracy until reaching the use of a numerical simulation tool, so as to provide the necessary insight into it. The curvature of the Earth, its gravitational field, the exhaust pressure loss and atmospheric drag are a few of the considerations that the simulation takes into account. No attention was give to the actual details of the spacecraft such as propulsion type(s), winged or lifting body (aerodynamics), active or passive cooling (thermodynamics), stability and control. All these subsystems are considered to be included into the construction mass. The drag model is a simple textbook approximation and the propulsion force is given by a hypothetical propellant and engine so as to produce the assumed range of specific impulse. Even the construction mass is supposed to be futuristic so as to reach the lowest specified values. Not only vertical take-off will be simulated but also horizontal launching from altitude (from a towing aircraft, for example). The result of the paper shows the relationship between the construction mass and the specific impulse of a given spacecraft if it is to reach low earth orbit. This paper thus aims at bringing some light to the controversial discussion of how to make these vehicles a reality. The simulation program (Matlab) is available to students.

  13. Numerical solutions of the N-body problem

    International Nuclear Information System (INIS)

    Marciniak, A.

    1985-01-01

    Devoted to the study of numerical methods for solving the general N-body problem and related problems, this volume starts with an overview of the conventional numerical methods for solving the initial value problem. The major part of the book contains original work and features a presentation of special numerical methods conserving the constants of motion in the general N-body problem and methods conserving the Jacobi constant in the problem of motion of N bodies in a rotating frame, as well as an analysis of the applications of both (conventional and special) kinds of methods for solving these problems. For all the methods considered, the author presents algorithms which are easily programmable in any computer language. Moreover, the author compares various methods and presents adequate numerical results. The appendix contains PL/I procedures for all the special methods conserving the constants of motion. 91 refs.; 35 figs.; 41 tabs

  14. Simulating Biomass Fast Pyrolysis at the Single Particle Scale

    Energy Technology Data Exchange (ETDEWEB)

    Ciesielski, Peter [National Renewable Energy Laboratory (NREL); Wiggins, Gavin [ORNL; Daw, C Stuart [ORNL; Jakes, Joseph E. [U.S. Forest Service, Forest Products Laboratory, Madison, Wisconsin, USA

    2017-07-01

    Simulating fast pyrolysis at the scale of single particles allows for the investigation of the impacts of feedstock-specific parameters such as particle size, shape, and species of origin. For this reason particle-scale modeling has emerged as an important tool for understanding how variations in feedstock properties affect the outcomes of pyrolysis processes. The origins of feedstock properties are largely dictated by the composition and hierarchical structure of biomass, from the microstructural porosity to the external morphology of milled particles. These properties may be accounted for in simulations of fast pyrolysis by several different computational approaches depending on the level of structural and chemical complexity included in the model. The predictive utility of particle-scale simulations of fast pyrolysis can still be enhanced substantially by advancements in several areas. Most notably, considerable progress would be facilitated by the development of pyrolysis kinetic schemes that are decoupled from transport phenomena, predict product evolution from whole-biomass with increased chemical speciation, and are still tractable with present-day computational resources.

  15. Simulations of surface stress effects in nanoscale single crystals

    Science.gov (United States)

    Zadin, V.; Veske, M.; Vigonski, S.; Jansson, V.; Muszinsky, J.; Parviainen, S.; Aabloo, A.; Djurabekova, F.

    2018-04-01

    Onset of vacuum arcing near a metal surface is often associated with nanoscale asperities, which may dynamically appear due to different processes ongoing in the surface and subsurface layers in the presence of high electric fields. Thermally activated processes, as well as plastic deformation caused by tensile stress due to an applied electric field, are usually not accessible by atomistic simulations because of the long time needed for these processes to occur. On the other hand, finite element methods, able to describe the process of plastic deformations in materials at realistic stresses, do not include surface properties. The latter are particularly important for the problems where the surface plays crucial role in the studied process, as for instance, in the case of plastic deformations at a nanovoid. In the current study by means of molecular dynamics (MD) and finite element simulations we analyse the stress distribution in single crystal copper containing a nanovoid buried deep under the surface. We have developed a methodology to incorporate the surface effects into the solid mechanics framework by utilizing elastic properties of crystals, pre-calculated using MD simulations. The method leads to computationally efficient stress calculations and can be easily implemented in commercially available finite element software, making it an attractive analysis tool.

  16. N-body scattering solution in coordinate space

    International Nuclear Information System (INIS)

    Cheng-Guang, B.

    1986-01-01

    The Schroedinger equation has been transformed into a set of coupled partial differential equations having hyper-variables as arguments and a procedure for embedding the boundary conditions into the N-body scattering solution by using a set of homogeneous linear algebraic equations is proposed

  17. TCAD simulations for a novel single-photon avalanche diode

    Science.gov (United States)

    Jin, Xiangliang; Yang, Jia; Yang, Hongjiao; Tang, Lizhen; Liu, Weihui

    2015-03-01

    A single-photon avalanche diode (SPAD) device with P+-SEN junction, and a low concentration of N-type doping circular virtual guard-ring was presented in this paper. SEN layer of the proposed SPAD has high concentration of N-type doping, causing the SPAD low breakdown voltage (~14.26 V). What's more, an efficient and narrow (about 2μm) guard-ring of the proposed SPAD not only can withstand considerably higher electric fields for preventing edge breakdown, but also offers a little increment in fill factor compared with existing SPADs due to its small area. In addition, some Silvaco TCAD simulations have been done and verify characteristics and performance of the design in this work.

  18. Monte Carlo simulations of lattice models for single polymer systems

    Science.gov (United States)

    Hsu, Hsiao-Ping

    2014-10-01

    Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N ˜ O(10^4). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and sqrt{10}, we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior.

  19. Monte Carlo simulations of lattice models for single polymer systems

    International Nuclear Information System (INIS)

    Hsu, Hsiao-Ping

    2014-01-01

    Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N∼O(10 4 ). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and √(10), we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior

  20. Flexible single molecule simulation of reaction-diffusion processes

    International Nuclear Information System (INIS)

    Hellander, Stefan; Loetstedt, Per

    2011-01-01

    An algorithm is developed for simulation of the motion and reactions of single molecules at a microscopic level. The molecules diffuse in a solvent and react with each other or a polymer and molecules can dissociate. Such simulations are of interest e.g. in molecular biology. The algorithm is similar to the Green's function reaction dynamics (GFRD) algorithm by van Zon and ten Wolde where longer time steps can be taken by computing the probability density functions (PDFs) and then sample from the distribution functions. Our computation of the PDFs is much less complicated than GFRD and more flexible. The solution of the partial differential equation for the PDF is split into two steps to simplify the calculations. The sampling is without splitting error in two of the coordinate directions for a pair of molecules and a molecule-polymer interaction and is approximate in the third direction. The PDF is obtained either from an analytical solution or a numerical discretization. The errors due to the operator splitting, the partitioning of the system, and the numerical approximations are analyzed. The method is applied to three different systems involving up to four reactions. Comparisons with other mesoscopic and macroscopic models show excellent agreement.

  1. Eikonal representation of N-body Coulomb scattering amplitudes

    International Nuclear Information System (INIS)

    Fried, H.M.; Kang, K.; McKellar, B.H.J.

    1983-01-01

    A new technique for the construction of N-body Coulomb scattering amplitudes is proposed, suggested by the simplest case of N = 2: Calculate the scattering amplitude in eikonal approximation, discard the infinite phase factors which appear upon taking the limit of a Coulomb potential, and treat the remainder as an amplitude whose absolute value squared produces the exact, Coulomb differential cross section. The method easily generalizes to the N-body Coulomb problem for elastic scattering, and for inelastic rearrangement scattering of Coulomb bound states. We give explicit results for N = 3 and 4; in the N = 3 case we extract amplitudes for the processes (12)+3->1+2+3 (breakup), (12)+3->1+(23) (rearrangement), and (12)+3→(12)'+3 (inelastic scattering) as residues at the appropriate poles in the free-free amplitude. The method produces scattering amplitudes f/sub N/ given in terms of explicit quadratures over (N-2) 2 distinct integrands

  2. Accelerator-feasible N-body nonlinear integrable system

    Directory of Open Access Journals (Sweden)

    V. Danilov

    2014-12-01

    Full Text Available Nonlinear N-body integrable Hamiltonian systems, where N is an arbitrary number, have attracted the attention of mathematical physicists for the last several decades, following the discovery of some number of these systems. This paper presents a new integrable system, which can be realized in facilities such as particle accelerators. This feature makes it more attractive than many of the previous such systems with singular or unphysical forces.

  3. Internal or shape coordinates in the n-body problem

    International Nuclear Information System (INIS)

    Littlejohn, R.G.; Reinsch, M.

    1995-01-01

    The construction of global shape coordinates for the n-body problem is considered. Special attention is given to the three- and four-body problems. Quantities, including candidates for coordinates, are organized according to their transformation properties under so-called democracy transformations (orthogonal transformations of Jacobi vectors). Important submanifolds of shape space are identified and their topology studied, including the manifolds upon which shapes are coplanar or collinear, and the manifolds upon which the moment of inertia tensor is degenerate

  4. Quantum N-body problem with a minimal length

    International Nuclear Information System (INIS)

    Buisseret, Fabien

    2010-01-01

    The quantum N-body problem is studied in the context of nonrelativistic quantum mechanics with a one-dimensional deformed Heisenberg algebra of the form [x,p]=i(1+βp 2 ), leading to the existence of a minimal observable length √(β). For a generic pairwise interaction potential, analytical formulas are obtained that allow estimation of the ground-state energy of the N-body system by finding the ground-state energy of a corresponding two-body problem. It is first shown that in the harmonic oscillator case, the β-dependent term grows faster with increasing N than the β-independent term. Then, it is argued that such a behavior should also be observed with generic potentials and for D-dimensional systems. Consequently, quantum N-body bound states might be interesting places to look at nontrivial manifestations of a minimal length, since the more particles that are present, the more the system deviates from standard quantum-mechanical predictions.

  5. An adaptive N-body algorithm of optimal order

    International Nuclear Information System (INIS)

    Pruett, C. David.; Rudmin, Joseph W.; Lacy, Justin M.

    2003-01-01

    Picard iteration is normally considered a theoretical tool whose primary utility is to establish the existence and uniqueness of solutions to first-order systems of ordinary differential equations (ODEs). However, in 1996, Parker and Sochacki [Neural, Parallel, Sci. Comput. 4 (1996)] published a practical numerical method for a certain class of ODEs, based upon modified Picard iteration, that generates the Maclaurin series of the solution to arbitrarily high order. The applicable class of ODEs consists of first-order, autonomous systems whose right-hand side functions (generators) are projectively polynomial; that is, they can be written as polynomials in the unknowns. The class is wider than might be expected. The method is ideally suited to the classical N-body problem, which is projectively polynomial. Here, we recast the N-body problem in polynomial form and develop a Picard-based algorithm for its solution. The algorithm is highly accurate, parameter-free, and simultaneously adaptive in time and order. Test cases for both benign and chaotic N-body systems reveal that optimal order is dynamic. That is, in addition to dependency upon N and the desired accuracy, optimal order depends upon the configuration of the bodies at any instant

  6. The quantum N-body problem in the mean-field and semiclassical regime.

    Science.gov (United States)

    Golse, François

    2018-04-28

    The present work discusses the mean-field limit for the quantum N -body problem in the semiclassical regime. More precisely, we establish a convergence rate for the mean-field limit which is uniform as the ratio of Planck constant to the action of the typical single particle tends to zero. This convergence rate is formulated in terms of a quantum analogue of the quadratic Monge-Kantorovich or Wasserstein distance. This paper is an account of some recent collaboration with C. Mouhot, T. Paul and M. Pulvirenti.This article is part of the themed issue 'Hilbert's sixth problem'. © 2018 The Author(s).

  7. Dynamical Studies of N-Body Gravity and Tidal Dissipation in the TRAPPIST-1 Star System

    Science.gov (United States)

    Nayak, Michael; Kuettel, Donald H.; Stebler, Shane T.; Udrea, Bogdan

    2018-01-01

    To date, we have discovered a total of 2,729 planetary systems that contain more than 3,639 known exoplanets [1]. A majority of these are defined as compact systems, containing multiple exoplanets within 0.25 AU of the central star. It has been shown that tightly packed exoplanets avoid colliding due to long-term resonance-induced orbit stability [2]. However, due to extreme proximity, these planets experience intense gravitational forces from each other that are unprecedented within our own solar system, which makes the existence of exomoons doubtful. We present the results of an initial study evaluating dynamical stability of potential exomoons within such highly compact systems.This work is baselined around TRAPPIST-1, an ultra-cool dwarf star that hosts seven temperate terrestrial planets, three of which are in the habitable zone, orbiting within 0.06 AU [3]. N-body simulations place a grid of test particles varying semi-major axis, eccentricity, and inclination around the three habitable zone planets. We find that most exomoons with semi-major axes less than half the Hill sphere of their respective planet are stable over 10 kyrs, with several stable over 300 kyrs.However, in compact systems, tidal influences from other planets can compete with tidal effects from the primary planet, resulting in possible instabilities and massive amounts of tidal dissipation. We investigate these effects with a large grid search that incorporates exomoon radius, tidal quality factor and a range of planet rigidities. Results of simulations that combine n-body gravity effects with both planetary and satellite tides are presented and contrasted with n-body results. Finally, we examine long-term stability (> 1Myrs) of the stable subset of test particles from the n-body simulation with the addition of tidal dissipation, to determine if exomoons can survive around planets e, f, and g in the TRAPPIST-1 system.[1] Schneider (2017). The Extrasolar Planets Encyclopedia. http

  8. An adaptive N-body algorithm of optimal order

    CERN Document Server

    Pruett, C D; Lacy, J M

    2003-01-01

    Picard iteration is normally considered a theoretical tool whose primary utility is to establish the existence and uniqueness of solutions to first-order systems of ordinary differential equations (ODEs). However, in 1996, Parker and Sochacki [Neural, Parallel, Sci. Comput. 4 (1996)] published a practical numerical method for a certain class of ODEs, based upon modified Picard iteration, that generates the Maclaurin series of the solution to arbitrarily high order. The applicable class of ODEs consists of first-order, autonomous systems whose right-hand side functions (generators) are projectively polynomial; that is, they can be written as polynomials in the unknowns. The class is wider than might be expected. The method is ideally suited to the classical N-body problem, which is projectively polynomial. Here, we recast the N-body problem in polynomial form and develop a Picard-based algorithm for its solution. The algorithm is highly accurate, parameter-free, and simultaneously adaptive in time and order. T...

  9. Development of dynamic simulation code for fuel cycle of fusion reactor. 1. Single pulse operation simulation

    Energy Technology Data Exchange (ETDEWEB)

    Aoki, Isao; Seki, Yasushi [Japan Atomic Energy Research Inst., Naka, Ibaraki (Japan). Naka Fusion Research Establishment; Sasaki, Makoto; Shintani, Kiyonori; Kim, Yeong-Chan

    1997-11-01

    A dynamic simulation code for the fuel cycle of a fusion experimental reactor has been developed. The code follows the fuel inventory change with time in the plasma chamber and the fuel cycle system during a single pulse operation. The time dependence of the fuel inventory distribution is evaluated considering the fuel burn and exhaust in the plasma chamber, purification and supply functions. For each subsystem of the plasma chamber and the fuel cycle system, the fuel inventory equation is written based on the equation of state considering the function of fuel burn, exhaust, purification, and supply. The processing constants of subsystem for the steady states were taken from the values in the ITER Conceptual Design Activity (CDA) report. Using the code, the time dependence of the fuel supply and inventory depending on the burn state and subsystem processing functions are shown. (author)

  10. Equivalence of two models in single-phase multicomponent flow simulations

    KAUST Repository

    Wu, Yuanqing

    2016-02-28

    In this work, two models to simulate the single-phase multicomponent flow in reservoirs are introduced: single-phase multicomponent flow model and two-phase compositional flow model. Because the single-phase multicomponent flow is a special case of the two-phase compositional flow, the two-phase compositional flow model can also simulate the case. We compare and analyze the two models when simulating the single-phase multicomponent flow, and then demonstrate the equivalence of the two models mathematically. An experiment is also carried out to verify the equivalence of the two models.

  11. Equivalence of two models in single-phase multicomponent flow simulations

    KAUST Repository

    Wu, Yuanqing; Sun, Shuyu

    2016-01-01

    In this work, two models to simulate the single-phase multicomponent flow in reservoirs are introduced: single-phase multicomponent flow model and two-phase compositional flow model. Because the single-phase multicomponent flow is a special case of the two-phase compositional flow, the two-phase compositional flow model can also simulate the case. We compare and analyze the two models when simulating the single-phase multicomponent flow, and then demonstrate the equivalence of the two models mathematically. An experiment is also carried out to verify the equivalence of the two models.

  12. On the n-body problem on surfaces of revolution

    Science.gov (United States)

    Stoica, Cristina

    2018-05-01

    We explore the n-body problem, n ≥ 3, on a surface of revolution with a general interaction depending on the pairwise geodesic distance. Using the geometric methods of classical mechanics we determine a large set of properties. In particular, we show that Saari's conjecture fails on surfaces of revolution admitting a geodesic circle. We define homographic motions and, using the discrete symmetries, prove that when the masses are equal, they form an invariant manifold. On this manifold the dynamics are reducible to a one-degree of freedom system. We also find that for attractive interactions, regular n-gon shaped relative equilibria with trajectories located on geodesic circles typically experience a pitchfork bifurcation. Some applications are included.

  13. An analytic n-body potential for bcc Iron

    Energy Technology Data Exchange (ETDEWEB)

    Pontikis, V. [Commissariat a l' Energie Atomique, DRECAM/LSI, CE de Saclay, Building 524, Room 40B, 91191 Gif-sur-Yvette Cedex (France)]. E-mail: Vassilis.Pontikis@cea.fr; Russier, V. [Centre d' Etudes de Chimie Metallurgique, CNRS UPR2801, 94407 Vitry-sur-Seine (France); Wallenius, J. [Royal Institute of Technology, Department of Nuclear and Reactor Physics, Stockholm (Sweden)

    2007-02-15

    We have developed an analytic n-body phenomenological potential for bcc iron made of two electron-density functionals representing repulsion via the Thomas-Fermi free-electron gas kinetic energy term and attraction via a square root functional similar to the second moment approximation of the tight-binding scheme. Electron-density is given by radial, hydrogen-like orbitals with effective charges taken as adjustable parameters fitted on experimental and ab-initio data. Although the set of adjustable parameters is small, prediction of static and dynamical properties of iron is in excellent agreement with the experiments. Advantages and shortcomings of this model are discussed with reference to published works.

  14. An analytic n-body potential for bcc Iron

    International Nuclear Information System (INIS)

    Pontikis, V.; Russier, V.; Wallenius, J.

    2007-01-01

    We have developed an analytic n-body phenomenological potential for bcc iron made of two electron-density functionals representing repulsion via the Thomas-Fermi free-electron gas kinetic energy term and attraction via a square root functional similar to the second moment approximation of the tight-binding scheme. Electron-density is given by radial, hydrogen-like orbitals with effective charges taken as adjustable parameters fitted on experimental and ab-initio data. Although the set of adjustable parameters is small, prediction of static and dynamical properties of iron is in excellent agreement with the experiments. Advantages and shortcomings of this model are discussed with reference to published works

  15. Integral bounds for N-body total cross sections

    International Nuclear Information System (INIS)

    Osborn, T.A.; Bolle, D.

    1979-01-01

    We study the behavior of the total cross sections in the three- and N-body scattering problem. Working within the framework of the time-dependent two-Hilbert space scattering theory, we give a simple derivation of integral bounds for the total cross section for all processes initiated by the collision of two clusters. By combining the optical theorem with a trace identity derived by Jauch, Sinha, and Misra, we find, roughly speaking, that if the local pairwise interaction falls off faster than r -3 , then sigma/sub tot/(E) must decrease faster than E/sup -1/2/ at high energy. This conclusion is unchanged if one introduces a class of well-behaved three-body interactions

  16. Explicit solution to the N-body Calogero problem

    Energy Technology Data Exchange (ETDEWEB)

    Brink, L [Inst. of Theoretical Physics, CTH, Goeteborg (Sweden); Hansson, T H [Inst. of Theoretical Physics, Univ. Stockholm (Sweden); Vasiliev, M A [Dept. of Theoretical Physics, P.N. Lebedev Physical Inst., Moscow (Russia)

    1992-07-23

    We solve the N-body Calogero problem, i.e., N particles in one dimension subject to a two-body interaction of the form 1/2 {Sigma}{sub i,j} ((x{sub i}-x{sub j}){sup 2}+g/(x{sub i}-x{sub j}){sup 2}), by constructing annihilation and creation operators of the form a{sub i}{sup -+}=(1/{radical}2)(x{sub i}{+-}ip{sub i}) where p{sub i} is a modified momentum operator obeying Heisenberg-type commutation relations with x{sub i}, involving explicitly permutation operators. On the other hand, D{sub j}=ip{sub j} can be interpreted as a covariant derivative corresponding to a flat connection. The relation to fractional statistics in 1+1 dimensions and anyons in a strong magnetic field is briefly discussed. (orig.).

  17. Monte Carlo simulation of single accident airport risk profile

    Science.gov (United States)

    1979-01-01

    A computer simulation model was developed for estimating the potential economic impacts of a carbon fiber release upon facilities within an 80 kilometer radius of a major airport. The model simulated the possible range of release conditions and the resulting dispersion of the carbon fibers. Each iteration of the model generated a specific release scenario, which would cause a specific amount of dollar loss to the surrounding community. By repeated iterations, a risk profile was generated, showing the probability distribution of losses from one accident. Using accident probability estimates, the risks profile for annual losses was derived. The mechanics are described of the simulation model, the required input data, and the risk profiles generated for the 26 large hub airports.

  18. Simulation of single-electron tunnelling circuits using SPICE

    NARCIS (Netherlands)

    Van de Haar, R.

    2004-01-01

    Single-electron tunnelling (SET) devices have very promising properties, like their extremely low power consumption, their extremely high switching speeds and their extremely small physical dimensions. Since the field of SET devices is far from being fully exploited, and their device properties seem

  19. Modeling and simulation of single-event effect in CMOS circuit

    International Nuclear Information System (INIS)

    Yue Suge; Zhang Xiaolin; Zhao Yuanfu; Liu Lin; Wang Hanning

    2015-01-01

    This paper reviews the status of research in modeling and simulation of single-event effects (SEE) in digital devices and integrated circuits. After introducing a brief historical overview of SEE simulation, different level simulation approaches of SEE are detailed, including material-level physical simulation where two primary methods by which ionizing radiation releases charge in a semiconductor device (direct ionization and indirect ionization) are introduced, device-level simulation where the main emerging physical phenomena affecting nanometer devices (bipolar transistor effect, charge sharing effect) and the methods envisaged for taking them into account are focused on, and circuit-level simulation where the methods for predicting single-event response about the production and propagation of single-event transients (SETs) in sequential and combinatorial logic are detailed, as well as the soft error rate trends with scaling are particularly addressed. (review)

  20. Kinetic Theory and Simulation of Single-Channel Water Transport

    Science.gov (United States)

    Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus

    Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.

  1. Geometrical themes inspired by the n-body problem

    CERN Document Server

    Herrera, Haydeé; Herrera, Rafael

    2018-01-01

    Presenting a selection of recent developments in geometrical problems inspired by the N-body problem, these lecture notes offer a variety of approaches to study them, ranging from variational to dynamical, while developing new insights, making geometrical and topological detours, and providing historical references. A. Guillot’s notes aim to describe differential equations in the complex domain, motivated by the evolution of N particles moving on the plane subject to the influence of a magnetic field. Guillot studies such differential equations using different geometric structures on complex curves (in the sense of W. Thurston) in order to find isochronicity conditions.   R. Montgomery’s notes deal with a version of the planar Newtonian three-body equation. Namely, he investigates the problem of whether every free homotopy class is realized by a periodic geodesic. The solution involves geometry, dynamical systems, and the McGehee blow-up. A novelty of the approach is the use of energy-balance in order t...

  2. Near transferable phenomenological n-body potentials for noble metals.

    Science.gov (United States)

    Pontikis, Vassilis; Baldinozzi, Gianguido; Luneville, Laurence; Simeone, David

    2017-09-06

    We present a semi-empirical model of cohesion in noble metals with suitable parameters reproducing a selected set of experimental properties of perfect and defective lattices in noble metals. It consists of two short-range, n-body terms accounting respectively for attractive and repulsive interactions, the former deriving from the second moment approximation of the tight-binding scheme and the latter from the gas approximation of the kinetic energy of electrons. The stability of the face centred cubic versus the hexagonal compact stacking is obtained via a long-range, pairwise function of customary use with ionic pseudo-potentials. Lattice dynamics, molecular statics, molecular dynamics and nudged elastic band calculations show that, unlike previous potentials, this cohesion model reproduces and predicts quite accurately thermodynamic properties in noble metals. In particular, computed surface energies, largely underestimated by existing empirical cohesion models, compare favourably with measured values, whereas predicted unstable stacking-fault energy profiles fit almost perfectly ab initio evaluations from the literature. All together the results suggest that this semi-empirical model is nearly transferable.

  3. Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals

    International Nuclear Information System (INIS)

    Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S.; Ravelo, Ramon

    2000-01-01

    We use multimillion-atom molecular dynamics simulations to study shock wave propagation in fcc crystals. As shown recently, shock waves along the direction form intersecting stacking faults by slippage along {111} close-packed planes at sufficiently high shock strengths. We find even more interesting behavior of shocks propagating in other low-index directions: for the case, an elastic precursor separates the shock front from the slipped (plastic) region. Shock waves along the direction generate a leading solitary wave train, followed (at sufficiently high shock speeds) by an elastic precursor, and then a region of complex plastic deformation. (c) 2000 The American Physical Society

  4. Effect of Chain Conformation on the Single-Molecule Melting Force in Polymer Single Crystals: Steered Molecular Dynamics Simulations Study.

    Science.gov (United States)

    Feng, Wei; Wang, Zhigang; Zhang, Wenke

    2017-02-28

    Understanding the relationship between polymer chain conformation as well as the chain composition within the single crystal and the mechanical properties of the corresponding single polymer chain will facilitate the rational design of high performance polymer materials. Here three model systems of polymer single crystals, namely poly(ethylene oxide) (PEO), polyethylene (PE), and nylon-66 (PA66) have been chosen to study the effects of chain conformation, helical (PEO) versus planar zigzag conformation (PE, PA66), and chain composition (PE versus PA66) on the mechanical properties of a single polymer chain. To do that, steered molecular dynamics simulations were performed on those polymer single crystals by pulling individual polymer chains out of the crystals. Our results show that the patterns of force-extension curve as well as the chain moving mode are closely related to the conformation of the polymer chain in the single crystal. In addition, hydrogen bonds can enhance greatly the force required to stretch the polymer chain out of the single crystal. The dynamic breaking and reformation of multivalent hydrogen bonds have been observed for the first time in PA66 at the single molecule level.

  5. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    KAUST Repository

    Kadoura, Ahmad Salim; Siripatana, Adil; Sun, Shuyu; Knio, Omar; Hoteit, Ibrahim

    2016-01-01

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard

  6. Computerized simulation of sintering process through single geometric arrangements utilization

    International Nuclear Information System (INIS)

    Vasconcelos, Vanderley de; Lameiras, Fernando Soares; Vasconcelos, Wander L.

    1995-01-01

    In materials science and engineering, microstructure is of crucial importance in determining the properties and therefore the performance of the designed products. However, the parameters and processes which control microstructural evolution in multi-phase polycrystalline systems have not been systematically examined yet. This is specially true in the case of powder processing of ceramics, where the final microstructure is related not only to the densification process, but also to the characteristics of the green compact, such as particle size distribution and packing density. One way to carry out the study of this problem with the of a computer is to consider the green compact as a periodic arrangement of mono-sized hard spheres, e.g., the simple cubic, the body-centered cubic (b.c.) and the face-centered cubic (f.c.c.) arrays. That simplification allows to foresee the resultant morphology when the array is sintered to full density through a simulation algorithm that allows the spheres to penetrate one another and conserve their mass. Typical powder compacts have a random, rather than regular, structures. An element of randomness is introduced and various parameters for this case (e.g. density, coordination number, morphology) are compared with the simple ones. Thermodynamic features of the simulated microstructures which may reveal which one resembles a more realistic equilibrium configuration are also included. (author). 8 refs., 2 figs

  7. Exploring the energy landscape of biopolymers using single molecule force spectroscopy and molecular simulations

    OpenAIRE

    Hyeon, Changbong

    2010-01-01

    In recent years, single molecule force techniques have opened a new avenue to decipher the folding landscapes of biopolymers by allowing us to watch and manipulate the dynamics of individual proteins and nucleic acids. In single molecule force experiments, quantitative analyses of measurements employing sound theoretical models and molecular simulations play central role more than any other field. With a brief description of basic theories for force mechanics and molecular simulation techniqu...

  8. Single-sided sheet-to-tube spot welding investigated by 3D numerical simulations

    DEFF Research Database (Denmark)

    Nielsen, Chris Valentin; Chergui, Azeddine; Zhang, Wenqi

    The single-sided resistance spot welding process is analyzed by a 3D numerical study of sheet-to-tube joining. Finite element simulations are carried out in SORPAS® 3D. Two levels of electrode force and five levels of welding current are simulated. The overall effects of changing current and force...

  9. CFD Simulations of a Single-phase Mixing Experiment

    International Nuclear Information System (INIS)

    Bertolotto, Davide; Chawla, Rakesh; Manera, Annalisa; Prasser, Horst-Michael

    2008-01-01

    The current paper reports on an investigation of the capabilities of CFD codes to model multidimensional mixing phenomena in a loop. For the purpose, a test facility consisting of two loops connected by a double T-junction has been built at the Paul Scherrer Institut (PSI). Experiments were carried out, in which a tracer was injected in one loop and the tracer distribution before and after the T-junction was measured by means of wire-mesh sensors located at the outlets of the junction. The tracer distribution after the T-junction is strongly dependent on 3D mixing phenomena, which are dominant due to the particular geometry of the set-up. For the CFD analysis, a 3D model of the double T-junction was created, and different simulations were performed with ANSYS-CFX to study the sensitivity of the results with respect to parameters such as mesh refinement, integration time step, turbulence model, profiles for inlet velocity and injected tracer concentration. Thereafter, these results were compared with the experimental data. The comparisons have clearly pointed out that 3D modelling is able to reproduce (at least qualitatively) the experimental results. Moreover, it has been found that the CFD results are strongly influenced by the velocity profile assumptions at the inlets of the double T-junction. (authors)

  10. Numerical simulation of single bubble dynamics under acoustic travelling waves.

    Science.gov (United States)

    Ma, Xiaojian; Huang, Biao; Li, Yikai; Chang, Qing; Qiu, Sicong; Su, Zheng; Fu, Xiaoying; Wang, Guoyu

    2018-04-01

    The objective of this paper is to apply CLSVOF method to investigate the single bubble dynamics in acoustic travelling waves. The Naiver-Stokes equation considering the acoustic radiation force is proposed and validated to capture the bubble behaviors. And the CLSVOF method, which can capture the continuous geometric properties and satisfies mass conservation, is applied in present work. Firstly, the regime map, depending on the dimensionless acoustic pressure amplitude and acoustic wave number, is constructed to present different bubble behaviors. Then, the time evolution of the bubble oscillation is investigated and analyzed. Finally, the effect of the direction and the damping coefficient of acoustic wave propagation on the bubble behavior are also considered. The numerical results show that the bubble presents distinct oscillation types in acoustic travelling waves, namely, volume oscillation, shape oscillation, and splitting oscillation. For the splitting oscillation, the formation of jet, splitting of bubble, and the rebound of sub-bubbles may lead to substantial increase in pressure fluctuations on the boundary. For the shape oscillation, the nodes and antinodes of the acoustic pressure wave contribute to the formation of the "cross shape" of the bubble. It should be noted that the direction of the bubble translation and bubble jet are always towards the direction of wave propagation. In addition, the damping coefficient causes bubble in shape oscillation to be of asymmetry in shape and inequality in size, and delays the splitting process. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Using gaps in N-body tidal streams to probe missing satellites

    International Nuclear Information System (INIS)

    Ngan, W. H. W.; Carlberg, R. G.

    2014-01-01

    We use N-body simulations to model the tidal disruption of a star cluster in a Milky-Way-sized dark matter halo, which results in a narrow stream comparable to (but slightly wider than) Pal-5 or GD-1. The mean Galactic dark matter halo is modeled by a spherical Navarro-Frenk-White potential with subhalos predicted by the ΛCDM cosmological model. The distribution and mass function of the subhalos follow the results from the Aquarius simulation. We use a matched filter approach to look for 'gaps' in tidal streams at 12 length scales from 0.1 kpc to 5 kpc, which appear as characteristic dips in the linear densities along the streams. We find that, in addition to the subhalos' perturbations, the epicyclic overdensities (EOs) due to the coherent epicyclic motions of particles in a stream also produce gap-like signals near the progenitor. We measure the gap spectra—the gap formation rates as functions of gap length—due to both subhalo perturbations and EOs, which have not been accounted for together by previous studies. Finally, we project the simulated streams onto the sky to investigate issues when interpreting gap spectra in observations. In particular, we find that gap spectra from low signal-to-noise observations can be biased by the orbital phase of the stream. This indicates that the study of stream gaps will benefit greatly from high-quality data from future missions.

  12. Communication: Multiple atomistic force fields in a single enhanced sampling simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hoang Viet, Man [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202 (United States); Derreumaux, Philippe, E-mail: philippe.derreumaux@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France); Institut Universitaire de France, 103 Bvd Saint-Germain, 75005 Paris (France); Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France)

    2015-07-14

    The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

  13. Ramifications of single-port laparoscopic surgery: measuring differences in task performance using simulation.

    Science.gov (United States)

    Conway, Nathan E; Romanelli, John R; Bush, Ron W; Seymour, Neal E

    2014-02-01

    Single-port laparoscopic surgery imposes unique psychomotor challenges. We used surgical simulation to define performance differences between surgeons with and without single-port clinical experience and examined whether a short course of training resulted in improved performance. Study participants were assigned to 3 groups: resident group (RES), experienced laparoscopic surgeons with (SP) and without (LAP) prior single-port laparoscopic experience. Participants performed the Fundamentals of Laparoscopic Surgery precision cutting task on a ProMIS trainer through conventional ports or with articulating instruments via a SILS Port (Covidien, Inc). Two iterations of each method were performed. Then, 6 residents performed 10 successive single-port iterations to assess the effect of practice on task performance. The SP group had faster task times for both laparoscopic (P = .0486) and single-port (P = .0238) methods. The LAP group had longer path lengths for the single-port task than for the laparoscopic task (P = .03). The RES group was slower (P = .0019), with longer path length (P = .0010) but with greater smoothness (P = .0186) on the single-port task than the conventional laparoscopic task. Resident performance task time (P = .005) and smoothness (P = .045) improved with successive iterations. Our data show that surgeons with clinical single-port surgery experience perform a simulated single-port surgical task better than inexperienced single-port surgeons. Furthermore, this performance is comparable to that achieved with conventional laparoscopic techniques. Performance of residents declined dramatically when confronted with the challenges of the single-port task but improved with practice. These results suggest a role for lab-based single-port training.

  14. Label-free, single-object sensing with a microring resonator: FDTD simulation.

    Science.gov (United States)

    Nguyen, Dan T; Norwood, Robert A

    2013-01-14

    Label-free, single-object sensing with a microring resonator is investigated numerically using the finite difference time-domain (FDTD) method. A pulse with ultra-wide bandwidth that spans over several resonant modes of the ring and of the sensing object is used for simulation, enabling a single-shot simulation of the microring sensing. The FDTD simulation not only can describe the circulation of the light in a whispering-gallery-mode (WGM) microring and multiple interactions between the light and the sensing object, but also other important factors of the sensing system, such as scattering and radiation losses. The FDTD results show that the simulation can yield a resonant shift of the WGM cavity modes. Furthermore, it can also extract eigenmodes of the sensing object, and therefore information from deep inside the object. The simulation method is not only suitable for a single object (single molecule, nano-, micro-scale particle) but can be extended to the problem of multiple objects as well.

  15. Determination of the optical properties of turbid media from a single Monte Carlo simulation

    International Nuclear Information System (INIS)

    Kienle, A.; Patterson, M.S.

    1996-01-01

    We describe a fast, accurate method for determination of the optical coefficients of 'semi-infinite' and 'infinite' turbid media. For the particular case of time-resolved reflectance from a biological medium, we show that a single Monte Carlo simulation can be used to fit the data and to derive the absorption and reduced scattering coefficients. Tests with independent Monte Carlo simulations showed that the errors in the deduced absorption and reduced scattering coefficients are smaller than 1% and 2%, respectively. (author)

  16. Determinant method and quantum simulations of many-body effects in a single impurity Anderson model

    International Nuclear Information System (INIS)

    Gubernatis, J.E.; Olson, T.; Scalapino, D.J.; Sugar, R.L.

    1985-01-01

    A short description is presented of a quantum Monte Carlo technique, often referred to as the determinant method, that has proved useful for simulating many-body effects in systems of interacting fermions at finite temperatures. Preliminary results using this technique on a single impurity Anderson model are reported. Examples of such many-body effects as local moment formation, Kondo behavior, and mixed valence phenomena found in the simulations are shown. 10 refs., 3 figs

  17. Event-by-event simulation of single-neutron experiments to test uncertainty relations

    International Nuclear Information System (INIS)

    Raedt, H De; Michielsen, K

    2014-01-01

    Results from a discrete-event simulation of a recent single-neutron experiment that tests Ozawa's generalization of Heisenberg's uncertainty relation are presented. The event-based simulation algorithm reproduces the results of the quantum theoretical description of the experiment but does not require the knowledge of the solution of a wave equation, nor does it rely on detailed concepts of quantum theory. In particular, the data from these non-quantum simulations satisfy uncertainty relations derived in the context of quantum theory. (paper)

  18. Design and simulation of ion optics for ion sources for production of singly charged ions

    Science.gov (United States)

    Zelenak, A.; Bogomolov, S. L.

    2004-05-01

    During the last 2 years different types of the singly charged ion sources were developed for FLNR (JINR) new projects such as Dubna radioactive ion beams, (Phase I and Phase II), the production of the tritium ion beam and the MASHA mass separator. The ion optics simulations for 2.45 GHz electron cyclotron resonance source, rf source, and the plasma ion source were performed. In this article the design and simulation results of the optics of new ion sources are presented. The results of simulation are compared with measurements obtained during the experiments.

  19. Design and simulation of ion optics for ion sources for production of singly charged ions

    International Nuclear Information System (INIS)

    Zelenak, A.; Bogomolov, S.L.

    2004-01-01

    During the last 2 years different types of the singly charged ion sources were developed for FLNR (JINR) new projects such as Dubna radioactive ion beams, (Phase I and Phase II), the production of the tritium ion beam and the MASHA mass separator. The ion optics simulations for 2.45 GHz electron cyclotron resonance source, rf source, and the plasma ion source were performed. In this article the design and simulation results of the optics of new ion sources are presented. The results of simulation are compared with measurements obtained during the experiments

  20. Simulation of Sweep-Jet Flow Control, Single Jet and Full Vertical Tail

    Science.gov (United States)

    Childs, Robert E.; Stremel, Paul M.; Garcia, Joseph A.; Heineck, James T.; Kushner, Laura K.; Storms, Bruce L.

    2016-01-01

    This work is a simulation technology demonstrator, of sweep jet flow control used to suppress boundary layer separation and increase the maximum achievable load coefficients. A sweep jet is a discrete Coanda jet that oscillates in the plane parallel to an aerodynamic surface. It injects mass and momentum in the approximate streamwise direction. It also generates turbulent eddies at the oscillation frequency, which are typically large relative to the scales of boundary layer turbulence, and which augment mixing across the boundary layer to attack flow separation. Simulations of a fluidic oscillator, the sweep jet emerging from a nozzle downstream of the oscillator, and an array of sweep jets which suppresses boundary layer separation are performed. Simulation results are compared to data from a dedicated validation experiment of a single oscillator and its sweep jet, and from a wind tunnel test of a full-scale Boeing 757 vertical tail augmented with an array of sweep jets. A critical step in the work is the development of realistic time-dependent sweep jet inflow boundary conditions, derived from the results of the single-oscillator simulations, which create the sweep jets in the full-tail simulations. Simulations were performed using the computational fluid dynamics (CFD) solver Overow, with high-order spatial discretization and a range of turbulence modeling. Good results were obtained for all flows simulated, when suitable turbulence modeling was used.

  1. A comparison of single column model simulations of summertime midlatitude continental convection

    Energy Technology Data Exchange (ETDEWEB)

    Ghan, Steven [Pacific Northwest National Laboratory, Richland, Washington (United States); Randall, David [Department of Atmospospheric Science, Colorado State University, Fort Collins, Colorado (United States); Xu, Kuan-Man [Department of Atmospospheric Science, Colorado State University, Fort Collins, Colorado (United States); Cederwall, Richard [Lawrence Livermore National Laboratory, Livermore, California (United States); Cripe, Douglas [Department of Atmospospheric Science, Colorado State University, Fort Collins, Colorado (United States); Hack, James [National Center for Atmospheric Research, Boulder, Colorado (United States); Iacobellis, Sam [Scripps Institution of Oceanography, University of California, La Jolla (United States); Klein, Stephen [Geophysical Fluid Dynamics Laboratory, Princeton, New Jersey (United States); Krueger, Steven [Department of Meterology, University of Utah, Salt Lake City, Utah (United States); Lohmann, Ulrike [Department of Physics and Oceanography, Dalhousie University, Halifax, Nova Scotia (Canada)] (and others)

    2000-01-27

    Eleven different single-column models (SCMs) and one cloud ensemble model (CEM) are driven by boundary conditions observed at the Atmospheric Radiation Measurement (ARM) program southern Great Plains site for a 17 day period during the summer of 1995. Comparison of the model simulations reveals common signatures identifiable as products of errors in the boundary conditions. Intermodel differences in the simulated temperature, humidity, cloud, precipitation, and radiative fluxes reflect differences in model resolution or physical parameterizations, although sensitive dependence on initial conditions can also contribute to intermodel differences. All models perform well at times but poorly at others. Although none of the SCM simulations stands out as superior to the others, the simulation by the CEM is in several respects in better agreement with the observations than the simulations by the SCMs. Nudging of the simulated temperature and humidity toward observations generally improves the simulated cloud and radiation fields as well as the simulated temperature and humidity but degrades the precipitation simulation for models with large temperature and humidity biases without nudging. Although some of the intermodel differences have not been explained, others have been identified as model problems that can be or have been corrected as a result of the comparison. (c) 2000 American Geophysical Union.

  2. A comparison of single column model simulations of summertime midlatitude continental convection

    International Nuclear Information System (INIS)

    Ghan, Steven; Randall, David; Xu, Kuan-Man; Cederwall, Richard; Cripe, Douglas; Hack, James; Iacobellis, Sam; Klein, Stephen; Krueger, Steven; Lohmann, Ulrike

    2000-01-01

    Eleven different single-column models (SCMs) and one cloud ensemble model (CEM) are driven by boundary conditions observed at the Atmospheric Radiation Measurement (ARM) program southern Great Plains site for a 17 day period during the summer of 1995. Comparison of the model simulations reveals common signatures identifiable as products of errors in the boundary conditions. Intermodel differences in the simulated temperature, humidity, cloud, precipitation, and radiative fluxes reflect differences in model resolution or physical parameterizations, although sensitive dependence on initial conditions can also contribute to intermodel differences. All models perform well at times but poorly at others. Although none of the SCM simulations stands out as superior to the others, the simulation by the CEM is in several respects in better agreement with the observations than the simulations by the SCMs. Nudging of the simulated temperature and humidity toward observations generally improves the simulated cloud and radiation fields as well as the simulated temperature and humidity but degrades the precipitation simulation for models with large temperature and humidity biases without nudging. Although some of the intermodel differences have not been explained, others have been identified as model problems that can be or have been corrected as a result of the comparison. (c) 2000 American Geophysical Union

  3. Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

    KAUST Repository

    Saad, Ahmed Mohamed

    2016-01-01

    potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical

  4. Particle imaging velocimetry experiments and lattice-Boltzmann simulations on a single sphere settling under gravity

    NARCIS (Netherlands)

    Ten Cate, A.; Nieuwstad, C.H.; Derksen, J.J.; Van den Akker, H.E.A.

    2002-01-01

    A comparison is made between experiments and simulations on a single sphere settling in silicon oil in a box. Cross-correlation particle imaging velocimetry measurements were carried out at particle Reynolds numbers ranging from 1.5 to 31.9. The particle Stokes number varied from 0.2 to 4 and at

  5. Detection of a single synthetic antiferromagnetic nanoparticle with an AMR nanostructure: Comparison between simulations and experiments

    DEFF Research Database (Denmark)

    Donolato, M.; Gobbi, M.; Cantoni, M.

    2010-01-01

    magnetoresistance effect and hence an electrical signal. In this paper we use micromagnetic simulations to calculate the output signal of a particularly shaped device in the presence of a single synthetic antiferromagnetic nanoparticle. The calculated magnetoresistive signal is in good agreement with corresponding...

  6. Substructuring in the implicit simulation of single point incremental sheet forming

    NARCIS (Netherlands)

    Hadoush, A.; van den Boogaard, Antonius H.

    2009-01-01

    This paper presents a direct substructuring method to reduce the computing time of implicit simulations of single point incremental forming (SPIF). Substructuring is used to divide the finite element (FE) mesh into several non-overlapping parts. Based on the hypothesis that plastic deformation is

  7. Initial data for the relativistic gravitational N-body problem

    International Nuclear Information System (INIS)

    Chrusciel, Piotr T; Corvino, Justin; Isenberg, James

    2010-01-01

    In general relativity, an initial data set for an isolated gravitational system takes the form of a solution of the Einstein constraint equations which is asymptotically Euclidean on a specified end. Given a collection of N such data sets with a subregion of interest (bounded away from the specified end) chosen in each, we show that there exists a family of new initial data sets, each of which contains exact copies of each of the N chosen subregions, positioned in a chosen array in a single asymptotic end. These composite initial data sets model isolated, relativistic gravitational systems containing N chosen bodies in specified initial configurations. (fast track communication)

  8. Numerical Simulation of single-stage axial fan operation under dusty flow conditions

    Science.gov (United States)

    Minkov, L. L.; Pikushchak, E. V.

    2017-11-01

    Assessment of the aerodynamic efficiency of the single-stage axial flow fan under dusty flow conditions based on a numerical simulation using the computational package Ansys-Fluent is proposed. The influence of dust volume fraction on the dependences of the air volume flow rate and the pressure drop on the rotational speed of rotor is demonstrated. Matching functions for formulas describing a pressure drop and volume flow rate in dependence on the rotor speed and dust content are obtained by numerical simulation for the single-stage axial fan. It is shown that the aerodynamic efficiency of the single-stage axial flow fan decreases exponentially with increasing volume content of dust in the air.

  9. GRAVIDY, a GPU modular, parallel direct-summation N-body integrator: dynamics with softening

    Science.gov (United States)

    Maureira-Fredes, Cristián; Amaro-Seoane, Pau

    2018-01-01

    A wide variety of outstanding problems in astrophysics involve the motion of a large number of particles under the force of gravity. These include the global evolution of globular clusters, tidal disruptions of stars by a massive black hole, the formation of protoplanets and sources of gravitational radiation. The direct-summation of N gravitational forces is a complex problem with no analytical solution and can only be tackled with approximations and numerical methods. To this end, the Hermite scheme is a widely used integration method. With different numerical techniques and special-purpose hardware, it can be used to speed up the calculations. But these methods tend to be computationally slow and cumbersome to work with. We present a new graphics processing unit (GPU), direct-summation N-body integrator written from scratch and based on this scheme, which includes relativistic corrections for sources of gravitational radiation. GRAVIDY has high modularity, allowing users to readily introduce new physics, it exploits available computational resources and will be maintained by regular updates. GRAVIDY can be used in parallel on multiple CPUs and GPUs, with a considerable speed-up benefit. The single-GPU version is between one and two orders of magnitude faster than the single-CPU version. A test run using four GPUs in parallel shows a speed-up factor of about 3 as compared to the single-GPU version. The conception and design of this first release is aimed at users with access to traditional parallel CPU clusters or computational nodes with one or a few GPU cards.

  10. Virialization in N-body models of the expanding universe. I. Isolated pairs

    International Nuclear Information System (INIS)

    Evrard, A.E.; Yahil, A.; and Institute of Astronomy, University of Cambridge)

    1985-01-01

    The degree of virialization of isolated pairs of galaxies is investigated in the N-body simulations of Efstathiou and Eastwood for open (Ω 0 = 0.1) and critical (Ω 0 = 1.0) universes, utilizing the three-dimensional information available for both position and velocity. Roughly half of the particles in the models form isolated pairs whose dynamics is dominated by their own two-body force. Three-quarters or more of these pairs are bound, and this ensemble of bound isolated pairs is found to yield excellent mass estimates upon application of the virial theorem. Contamination from unbound pairs introduces error factors smaller than 2 in mass estimates, and these errors can be corrected by simple methods. Oribts of bound pairs are highly eccentric, but this does not lead to serious selection effects in orbital phases, since these are uniformly distributed. The relative velocity of these pairs of mass points shows a Keplerian falloff with separation, contrary to observational evidence for real galaxies. All the above results are independent of the value of Ω 0 , but may be sensitive to initial conditions and the point-mass nature of the particles

  11. Interpretation of Cellular Imaging and AQP4 Quantification Data in a Single Cell Simulator

    Directory of Open Access Journals (Sweden)

    Seon B. Kim

    2014-03-01

    Full Text Available The goal of the present study is to integrate different datasets in cell biology to derive additional quantitative information about a gene or protein of interest within a single cell using computational simulations. We propose a novel prototype cell simulator as a quantitative tool to integrate datasets including dynamic information about transcript and protein levels and the spatial information on protein trafficking in a complex cellular geometry. In order to represent the stochastic nature of transcription and gene expression, our cell simulator uses event-based stochastic simulations to capture transcription, translation, and dynamic trafficking events. In a reconstructed cellular geometry, a realistic microtubule structure is generated with a novel growth algorithm for simulating vesicular transport and trafficking events. In a case study, we investigate the change in quantitative expression levels of a water channel-aquaporin 4-in a single astrocyte cell, upon pharmacological treatment. Gillespie based discrete time approximation method results in stochastic fluctuation of mRNA and protein levels. In addition, we compute the dynamic trafficking of aquaporin-4 on microtubules in this reconstructed astrocyte. Computational predictions are validated with experimental data. The demonstrated cell simulator facilitates the analysis and prediction of protein expression dynamics.

  12. Comparative Performance of Four Single Extreme Outlier Discordancy Tests from Monte Carlo Simulations

    Directory of Open Access Journals (Sweden)

    Surendra P. Verma

    2014-01-01

    Full Text Available Using highly precise and accurate Monte Carlo simulations of 20,000,000 replications and 102 independent simulation experiments with extremely low simulation errors and total uncertainties, we evaluated the performance of four single outlier discordancy tests (Grubbs test N2, Dixon test N8, skewness test N14, and kurtosis test N15 for normal samples of sizes 5 to 20. Statistical contaminations of a single observation resulting from parameters called δ from ±0.1 up to ±20 for modeling the slippage of central tendency or ε from ±1.1 up to ±200 for slippage of dispersion, as well as no contamination (δ=0 and ε=±1, were simulated. Because of the use of precise and accurate random and normally distributed simulated data, very large replications, and a large number of independent experiments, this paper presents a novel approach for precise and accurate estimations of power functions of four popular discordancy tests and, therefore, should not be considered as a simple simulation exercise unrelated to probability and statistics. From both criteria of the Power of Test proposed by Hayes and Kinsella and the Test Performance Criterion of Barnett and Lewis, Dixon test N8 performs less well than the other three tests. The overall performance of these four tests could be summarized as N2≅N15>N14>N8.

  13. N-body bound state relativistic wave equations

    International Nuclear Information System (INIS)

    Sazdjian, H.

    1988-06-01

    The manifestly covariant formalism with constraints is used for the construction of relativistic wave equations to describe the dynamics of N interacting spin 0 and/or spin 1/2 particles. The total and relative time evolutions of the system are completely determined by means of kinematic type wave equations. The internal dynamics of the system is 3 N-1 dimensional, besides the contribution of the spin degrees of freedom. It is governed by a single dynamical wave equation, that determines the eigenvalue of the total mass squared of the system. The interaction is introduced in a closed form by means of two-body potentials. The system satisfies an approximate form of separability

  14. An accurate behavioral model for single-photon avalanche diode statistical performance simulation

    Science.gov (United States)

    Xu, Yue; Zhao, Tingchen; Li, Ding

    2018-01-01

    An accurate behavioral model is presented to simulate important statistical performance of single-photon avalanche diodes (SPADs), such as dark count and after-pulsing noise. The derived simulation model takes into account all important generation mechanisms of the two kinds of noise. For the first time, thermal agitation, trap-assisted tunneling and band-to-band tunneling mechanisms are simultaneously incorporated in the simulation model to evaluate dark count behavior of SPADs fabricated in deep sub-micron CMOS technology. Meanwhile, a complete carrier trapping and de-trapping process is considered in afterpulsing model and a simple analytical expression is derived to estimate after-pulsing probability. In particular, the key model parameters of avalanche triggering probability and electric field dependence of excess bias voltage are extracted from Geiger-mode TCAD simulation and this behavioral simulation model doesn't include any empirical parameters. The developed SPAD model is implemented in Verilog-A behavioral hardware description language and successfully operated on commercial Cadence Spectre simulator, showing good universality and compatibility. The model simulation results are in a good accordance with the test data, validating high simulation accuracy.

  15. The Quantum N-Body Problem and the Auxiliary Field Method

    International Nuclear Information System (INIS)

    Semay, C.; Buisseret, F.; Silvestre-Brac, B.

    2011-01-01

    Approximate analytical energy formulas for N-body semirelativistic Hamiltonians with one- and two-body interactions are obtained within the framework of the auxiliary field method. We first review the method in the case of nonrelativistic two-body problems. A general procedure is then given for N-body systems and applied to the case of baryons in the large-N c limit. (author)

  16. Volume dependence of N-body bound states

    Science.gov (United States)

    König, Sebastian; Lee, Dean

    2018-04-01

    We derive the finite-volume correction to the binding energy of an N-particle quantum bound state in a cubic periodic volume. Our results are applicable to bound states with arbitrary composition and total angular momentum, and in any number of spatial dimensions. The only assumptions are that the interactions have finite range. The finite-volume correction is a sum of contributions from all possible breakup channels. In the case where the separation is into two bound clusters, our result gives the leading volume dependence up to exponentially small corrections. If the separation is into three or more clusters, there is a power-law factor that is beyond the scope of this work, however our result again determines the leading exponential dependence. We also present two independent methods that use finite-volume data to determine asymptotic normalization coefficients. The coefficients are useful to determine low-energy capture reactions into weakly bound states relevant for nuclear astrophysics. Using the techniques introduced here, one can even extract the infinite-volume energy limit using data from a single-volume calculation. The derived relations are tested using several exactly solvable systems and numerical examples. We anticipate immediate applications to lattice calculations of hadronic, nuclear, and cold atomic systems.

  17. Multi-scale simulation of single crystal hollow turbine blade manufactured by liquid metal cooling process

    Directory of Open Access Journals (Sweden)

    Xuewei Yan

    2018-02-01

    Full Text Available Liquid metal cooling (LMC process as a powerful directional solidification (DS technique is prospectively used to manufacture single crystal (SC turbine blades. An understanding of the temperature distribution and microstructure evolution in LMC process is required in order to improve the properties of the blades. For this reason, a multi-scale model coupling with the temperature field, grain growth and solute diffusion was established. The temperature distribution and mushy zone evolution of the hollow blade was simulated and discussed. According to the simulation results, the mushy zone might be convex and ahead of the ceramic beads at a lower withdrawal rate, while it will be concave and laggard at a higher withdrawal rate, and a uniform and horizontal mushy zone will be formed at a medium withdrawal rate. Grain growth of the blade at different withdrawal rates was also investigated. Single crystal structures were all selected out at three different withdrawal rates. Moreover, mis-orientation of the grains at 8 mm/min reached ~30°, while it was ~5° and ~15° at 10 mm/min and 12 mm/min, respectively. The model for predicting dendritic morphology was verified by corresponding experiment. Large scale for 2D dendritic distribution in the whole sections was investigated by experiment and simulation, and they presented a well agreement with each other. Keywords: Hollow blade, Single crystal, Multi-scale simulation, Liquid metal cooling

  18. Monte-Carlo Simulation of Hydrogen Adsorption in Single-Wall Carbon Nano-Cones

    Directory of Open Access Journals (Sweden)

    Zohreh Ahadi

    2011-01-01

    Full Text Available The properties of hydrogen adsorption in single-walled carbon nano-cones are investigated in detail by Monte Carlo simulations. A great deal of our computational results show that the hydrogen storage capacity in single-walled carbon nano-cones is slightly smaller than the capacity of single-walled carbon nanotubes at any time at the same conditions. This indicates that the hydrogen storage capacity of single-walled carbon nano-cones is related to angles of carbon nano-cones. It seems that these type of nanotubes could not exceed the 2010 goal of 6 wt%, which is presented by the U.S. Department of Energy. In addition, these results are discussed in theory.

  19. Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

    KAUST Repository

    Saad, Ahmed Mohamed

    2016-05-01

    In this study, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell-centered finite difference method with a non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational time by MC simulations from hours to seconds. In addition, the reweighting and reconstruction scheme, which was originally designed to work with the LJ potential model, is extended to work with a potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical ensemble and the Gibbs ensemble, respectively. Comparing the simulation results with the experimental data showed that the implemented model has an excellent fit outperforming the standard LJ model. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and Darcy scale in reservoir simulators. This leads to an accurate description of the thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.

  20. Simulation of single grid-based phase-contrast x-ray imaging (g-PCXI)

    Energy Technology Data Exchange (ETDEWEB)

    Lim, H.W.; Lee, H.W. [Department of Radiation Convergence Engineering, iTOMO Group, Yonsei University, 1 Yonseidae-gil, Wonju, Gangwon-do 26493 (Korea, Republic of); Cho, H.S., E-mail: hscho1@yonsei.ac.kr [Department of Radiation Convergence Engineering, iTOMO Group, Yonsei University, 1 Yonseidae-gil, Wonju, Gangwon-do 26493 (Korea, Republic of); Je, U.K.; Park, C.K.; Kim, K.S.; Kim, G.A.; Park, S.Y.; Lee, D.Y.; Park, Y.O.; Woo, T.H. [Department of Radiation Convergence Engineering, iTOMO Group, Yonsei University, 1 Yonseidae-gil, Wonju, Gangwon-do 26493 (Korea, Republic of); Lee, S.H.; Chung, W.H.; Kim, J.W.; Kim, J.G. [R& D Center, JPI Healthcare Co., Ltd., Ansan 425-833 (Korea, Republic of)

    2017-04-01

    Single grid-based phase-contrast x-ray imaging (g-PCXI) technique, which was recently proposed by Wen et al. to retrieve absorption, scattering, and phase-gradient images from the raw image of the examined object, seems a practical method for phase-contrast imaging with great simplicity and minimal requirements on the setup alignment. In this work, we developed a useful simulation platform for g-PCXI and performed a simulation to demonstrate its viability. We also established a table-top setup for g-PCXI which consists of a focused-linear grid (200-lines/in strip density), an x-ray tube (100-μm focal spot size), and a flat-panel detector (48-μm pixel size) and performed a preliminary experiment with some samples to show the performance of the simulation platform. We successfully obtained phase-contrast x-ray images of much enhanced contrast from both the simulation and experiment and the simulated contract seemed similar to the experimental contrast, which shows the performance of the developed simulation platform. We expect that the simulation platform will be useful for designing an optimal g-PCXI system. - Highlights: • It is proposed for the single grid-based phase-contrast x-ray imaging (g-PCXI) technique. • We implemented for a numerical simulation code. • The preliminary experiment with several samples to compare is performed. • It is expected to be useful to design an optimal g-PCXI system.

  1. Molecular dynamics simulation of AFM studies of a single polymer chain

    International Nuclear Information System (INIS)

    Wang Wenhai; Kistler, Kurt A.; Sadeghipour, Keya; Baran, George

    2008-01-01

    Single polymer chain force-extension behavior measured by Atomic Force Microscopy (AFM) was interpreted by molecular dynamics (MD) simulation performed by applying a bead-spring (coarse-graining) model in which the bond potential function between adjacent beads is described by a worm-like chain (WLC) model. Simulation results indicate that caution should be applied when interpreting experimental AFM data, because the data vary depending on the point of AFM tip-polymer chain attachment. This approach offers an effective way for eventual analysis of the mechanical behavior of complex polymer networks

  2. Molecular dynamics simulation of AFM studies of a single polymer chain

    Energy Technology Data Exchange (ETDEWEB)

    Wang Wenhai [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States); Kistler, Kurt A. [Department of Chemistry, Temple University, 1901 N. 13th Street, Philadelphia, PA 19122 (United States); Sadeghipour, Keya [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States); Baran, George [Center for Bioengineering and Biomaterials, College of Engineering, Temple University, 1947 N. 12th Street, Philadelphia, PA 19122 (United States)], E-mail: grbaran@temple.edu

    2008-11-24

    Single polymer chain force-extension behavior measured by Atomic Force Microscopy (AFM) was interpreted by molecular dynamics (MD) simulation performed by applying a bead-spring (coarse-graining) model in which the bond potential function between adjacent beads is described by a worm-like chain (WLC) model. Simulation results indicate that caution should be applied when interpreting experimental AFM data, because the data vary depending on the point of AFM tip-polymer chain attachment. This approach offers an effective way for eventual analysis of the mechanical behavior of complex polymer networks.

  3. Simulation of single spin asymmetry in the p↑p→π±,0X reaction

    International Nuclear Information System (INIS)

    Musul'manbekov, Zh.Zh.; Tokarev, M.V.

    1995-01-01

    Using hadronic event generator based on the Bremsstrahlung approach on hadron level, the left-right asymmetry of inclusive pions in single spin proton-proton collisions was simulated. The x F - and p T -dependencies of asymmetry for the p↑p→π ±,0 X process at E Lab =13, 18, 40 and 200 GeV have been obtained. An analysis of simulated events has been performed and it has been found that Δ-resonances play an important role in the behaviour of pion asymmetry. Some predictions for pion asymmetry are given for high x F and p T region. 14 refs., 5 figs., 2 tabs

  4. Simulation of a Novel Single-column Cryogenic Air Separation Process Using LNG Cold Energy

    Science.gov (United States)

    Jieyu, Zheng; Yanzhong, Li; Guangpeng, Li; Biao, Si

    In this paper, a novel single-column air separation process is proposed with the implementation of heat pump technique and introduction of LNG coldenergy. The proposed process is verifiedand optimized through simulation on the Aspen Hysys® platform. Simulation results reveal that thepower consumption per unit mass of liquid productis around 0.218 kWh/kg, and the total exergy efficiency of the systemis 0.575. According to the latest literatures, an energy saving of 39.1% is achieved compared with those using conventional double-column air separation units.The introduction of LNG cold energy is an effective way to increase the system efficiency.

  5. Simulations of a single vortex ring using an unbounded, regularized particle-mesh based vortex method

    DEFF Research Database (Denmark)

    Hejlesen, Mads Mølholm; Spietz, Henrik J.; Walther, Jens Honore

    2014-01-01

    , unbounded particle-mesh based vortex method is used to simulate the instability, transition to turbulence and eventual destruction of a single vortex ring. From the simulation data a novel method on analyzing the dynamics of the enstrophy is presented based on the alignment of the vorticity vector...... with the principal axis of the strain rate tensor. We find that the dynamics of the enstrophy density is dominated by the local flow deformation and axis of rotation, which is used to infer some concrete tendencies related to the topology of the vorticity field....

  6. Improved single particle potential for transport model simulations of nuclear reactions induced by rare isotope beams

    International Nuclear Information System (INIS)

    Xu Chang; Li Baoan

    2010-01-01

    Taking into account more accurately the isospin dependence of nucleon-nucleon interactions in the in-medium many-body force term of the Gogny effective interaction, new expressions for the single-nucleon potential and the symmetry energy are derived. Effects of both the spin (isospin) and the density dependence of nuclear effective interactions on the symmetry potential and the symmetry energy are examined. It is shown that they both play a crucial role in determining the symmetry potential and the symmetry energy at suprasaturation densities. The improved single-nucleon potential will be useful for more accurate simulation of nuclear reactions induced by rare-isotope beams within transport models.

  7. A design of calibration single star simulator with adjustable magnitude and optical spectrum output system

    Science.gov (United States)

    Hu, Guansheng; Zhang, Tao; Zhang, Xuan; Shi, Gentai; Bai, Haojie

    2018-03-01

    In order to achieve multi-color temperature and multi-magnitude output, magnitude and temperature can real-time adjust, a new type of calibration single star simulator was designed with adjustable magnitude and optical spectrum output in this article. xenon lamp and halogen tungsten lamp were used as light source. The control of spectrum band and temperature of star was realized with different multi-beam narrow band spectrum with light of varying intensity. When light source with different spectral characteristics and color temperature go into the magnitude regulator, the light energy attenuation were under control by adjusting the light luminosity. This method can completely satisfy the requirements of calibration single star simulator with adjustable magnitude and optical spectrum output in order to achieve the adjustable purpose of magnitude and spectrum.

  8. Exploring Biomolecular Interactions Through Single-Molecule Force Spectroscopy and Computational Simulation

    OpenAIRE

    Yang, Darren

    2016-01-01

    Molecular interactions between cellular components such as proteins and nucleic acids govern the fundamental processes of living systems. Technological advancements in the past decade have allowed the characterization of these molecular interactions at the single-molecule level with high temporal and spatial resolution. Simultaneously, progress in computer simulation has enabled theoretical research at the atomistic level, assisting in the interpretation of experimental results. This thesi...

  9. Single and Multiple UAV Cyber-Attack Simulation and Performance Evaluation

    Directory of Open Access Journals (Sweden)

    Ahmad Y. Javaid

    2015-02-01

    Full Text Available Usage of ground, air and underwater unmanned vehicles (UGV, UAV and UUV has increased exponentially in the recent past with industries producing thousands of these unmanned vehicles every year.With the ongoing discussion of integration of UAVs in the US National Airspace, the need of a cost-effective way to verify the security and resilience of a group of communicating UAVs under attack has become very important. The answer to this need is a simulation testbed which can be used to simulate the UAV Network (UAVNet. One of these attempts is - UAVSim (Unmanned Aerial Vehicle Simulation testbed developed at the University of Toledo. It has the capability of simulating large UAV networks as well as small UAV networks with large number of attack nodes. In this paper, we analyse the performance of the simulation testbed for two attacks, targeting single and multiple UAVs. Traditional and generic computing resource available in a regular computer laboratory was used. Various evaluation results have been presented and analysed which suggest the suitability of UAVSim for UAVNet attack and swarm simulation applications.

  10. Three-dimensional simulation of the motion of a single particle under a simulated turbulent velocity field

    Science.gov (United States)

    Moreno-Casas, P. A.; Bombardelli, F. A.

    2015-12-01

    A 3D Lagrangian particle tracking model is coupled to a 3D channel velocity field to simulate the saltation motion of a single sediment particle moving in saltation mode. The turbulent field is a high-resolution three dimensional velocity field that reproduces a by-pass transition to turbulence on a flat plate due to free-stream turbulence passing above de plate. In order to reduce computational costs, a decoupled approached is used, i.e., the turbulent flow is simulated independently from the tracking model, and then used to feed the 3D Lagrangian particle model. The simulations are carried using the point-particle approach. The particle tracking model contains three sub-models, namely, particle free-flight, a post-collision velocity and bed representation sub-models. The free-flight sub-model considers the action of the following forces: submerged weight, non-linear drag, lift, virtual mass, Magnus and Basset forces. The model also includes the effect of particle angular velocity. The post-collision velocities are obtained by applying conservation of angular and linear momentum. The complete model was validated with experimental results from literature within the sand range. Results for particle velocity time series and distribution of particle turbulent intensities are presented.

  11. Single-phase multi-dimensional thermohydraulics direct numerical simulation code DINUS-3. Input data description

    Energy Technology Data Exchange (ETDEWEB)

    Muramatsu, Toshiharu [Power Reactor and Nuclear Fuel Development Corp., Oarai, Ibaraki (Japan). Oarai Engineering Center

    1998-08-01

    This report explains the numerical methods and the set-up method of input data for a single-phase multi-dimensional thermohydraulics direct numerical simulation code DINUS-3 (Direct Numerical Simulation using a 3rd-order upwind scheme). The code was developed to simulate non-stationary temperature fluctuation phenomena related to thermal striping phenomena, developed at Power Reactor and Nuclear Fuel Development Corporation (PNC). The DINUS-3 code was characterized by the use of a third-order upwind scheme for convection terms in instantaneous Navier-Stokes and energy equations, and an adaptive control system based on the Fuzzy theory to control time step sizes. Author expect this report is very useful to utilize the DINUS-3 code for the evaluation of various non-stationary thermohydraulic phenomena in reactor applications. (author)

  12. Discrete event model-based simulation for train movement on a single-line railway

    International Nuclear Information System (INIS)

    Xu Xiao-Ming; Li Ke-Ping; Yang Li-Xing

    2014-01-01

    The aim of this paper is to present a discrete event model-based approach to simulate train movement with the considered energy-saving factor. We conduct extensive case studies to show the dynamic characteristics of the traffic flow and demonstrate the effectiveness of the proposed approach. The simulation results indicate that the proposed discrete event model-based simulation approach is suitable for characterizing the movements of a group of trains on a single railway line with less iterations and CPU time. Additionally, some other qualitative and quantitative characteristics are investigated. In particular, because of the cumulative influence from the previous trains, the following trains should be accelerated or braked frequently to control the headway distance, leading to more energy consumption. (general)

  13. Effect of Single-Electron Interface Trapping in Decanano MOSFETs: A 3D Atomistic Simulation Study

    Science.gov (United States)

    Asenov, Asen; Balasubramaniam, R.; Brown, A. R.; Davies, J. H.

    2000-01-01

    We study the effect of trapping/detrapping of a single-electron in interface states in the channel of n-type MOSFETs with decanano dimensions using 3D atomistic simulation techniques. In order to highlight the basic dependencies, the simulations are carried out initially assuming continuous doping charge, and discrete localized charge only for the trapped electron. The dependence of the random telegraph signal (RTS) amplitudes on the device dimensions and on the position of the trapped charge in the channel are studied in detail. Later, in full-scale, atomistic simulations assuming discrete charge for both randomly placed dopants and the trapped electron, we highlight the importance of current percolation and of traps with strategic position where the trapped electron blocks a dominant current path.

  14. A numerical model for the dynamic simulation of a recirculation single-effect absorption chiller

    International Nuclear Information System (INIS)

    Zinet, Matthieu; Rulliere, Romuald; Haberschill, Philippe

    2012-01-01

    Highlights: ► Dynamic simulation of a new recirculation single-effect H 2 O/LiBr absorption chiller is developed. ► The chiller is driven by two heat sources and exclusively cooled by the ambient air. ► Heat and mass transfer in the absorber and the desorber are described according to a detailed physical model. ► Analyse of the dynamic behaviour of the chiller after sudden changes in operation. - Abstract: A dynamic model for the simulation of a new single-effect water/lithium bromide absorption chiller is developed. The chiller is driven by two distinct heat sources, includes a custom integrated falling film evaporator–absorber, uses mixed recirculation and is exclusively cooled by the ambient air. Heat and mass transfer in the evaporator–absorber and in the desorber are described according to a physical model for vapour absorption based on Nusselt’s film theory. The other heat exchangers are handled using a simplified approach based on the NTU-effectiveness method. The model is then used to analyze the chiller response to a step drop of the heat recovery circuit flow rate, and to a sudden reduction of the cooling need in the conditioned space. In the latter case, a basic temperature regulation system is simulated. In both simulations, the performance of the chiller is well represented and consistent with expectations.

  15. Counts-in-Cylinders in the Sloan Digital Sky Survey with Comparisons to N-Body

    Energy Technology Data Exchange (ETDEWEB)

    Berrier, Heather D.; Barton, Elizabeth J.; /UC, Irvine; Berrier, Joel C.; /Arkansas U.; Bullock, James S.; /UC, Irvine; Zentner, Andrew R.; /Pittsburgh U.; Wechsler, Risa H. /KIPAC, Menlo Park /SLAC

    2010-12-16

    Environmental statistics provide a necessary means of comparing the properties of galaxies in different environments and a vital test of models of galaxy formation within the prevailing, hierarchical cosmological model. We explore counts-in-cylinders, a common statistic defined as the number of companions of a particular galaxy found within a given projected radius and redshift interval. Galaxy distributions with the same two-point correlation functions do not necessarily have the same companion count distributions. We use this statistic to examine the environments of galaxies in the Sloan Digital Sky Survey, Data Release 4. We also make preliminary comparisons to four models for the spatial distributions of galaxies, based on N-body simulations, and data from SDSS DR4 to study the utility of the counts-in-cylinders statistic. There is a very large scatter between the number of companions a galaxy has and the mass of its parent dark matter halo and the halo occupation, limiting the utility of this statistic for certain kinds of environmental studies. We also show that prevalent, empirical models of galaxy clustering that match observed two- and three-point clustering statistics well fail to reproduce some aspects of the observed distribution of counts-in-cylinders on 1, 3 and 6-h{sup -1}Mpc scales. All models that we explore underpredict the fraction of galaxies with few or no companions in 3 and 6-h{sup -1} Mpc cylinders. Roughly 7% of galaxies in the real universe are significantly more isolated within a 6 h{sup -1} Mpc cylinder than the galaxies in any of the models we use. Simple, phenomenological models that map galaxies to dark matter halos fail to reproduce high-order clustering statistics in low-density environments.

  16. Thermal-Hydraulic Simulations of Single Pin and Assembly Sector for IVG- 1M Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, A. [Argonne National Lab. (ANL), Argonne, IL (United States); Garner, P. [Argonne National Lab. (ANL), Argonne, IL (United States); Hanan, N. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2015-01-15

    Thermal-hydraulic simulations have been performed using computational fluid dynamics (CFD) for the highly-enriched uranium (HEU) design of the IVG.1M reactor at the Institute of Atomic Energy (IAE) at the National Nuclear Center (NNC) in the Republic of Kazakhstan. Steady-state simulations were performed for both types of fuel assembly (FA), i.e. the FA in rows 1 & 2 and the FA in row 3, as well as for single pins in those FA (600 mm and 800 mm pins). Both single pin calculations and bundle sectors have been simulated for the most conservative operating conditions corresponding to the 10 MW output power, which corresponds to a pin unit cell Reynolds number of only about 7500. Simulations were performed using the commercial code STAR-CCM+ for the actual twisted pin geometry as well as a straight-pin approximation. Various Reynolds-Averaged Navier-Stokes (RANS) turbulence models gave different results, and so some validation runs with a higher-fidelity Large Eddy Simulation (LES) code were performed given the lack of experimental data. These singled out the Realizable Two-Layer k-ε as the most accurate turbulence model for estimating surface temperature. Single-pin results for the twisted case, based on the average flow rate per pin and peak pin power, were conservative for peak clad surface temperature compared to the bundle results. Also the straight-pin calculations were conservative as compared to the twisted pin simulations, as expected, but the single-pin straight case was not always conservative with regard to the straight-pin bundle. This was due to the straight-pin temperature distribution being strongly influenced by the pin orientation, particularly near the outer boundary. The straight-pin case also predicted the peak temperature to be in a different location than the twisted-pin case. This is a limitation of the straight-pin approach. The peak temperature pin was in a different location from the peak power pin in every case simulated, and occurred at an

  17. Physical and Liquid Chemical Simulant Formulations for Transuranic Waste in Hanford Single-Shell Tanks

    International Nuclear Information System (INIS)

    Rassat, Scot D.; Bagaasen, Larry M.; Mahoney, Lenna A.; Russell, Renee L.; Caldwell, Dustin D.; Mendoza, Donaldo P.

    2003-01-01

    CH2M HILL Hanford Group, Inc. (CH2M HILL) is in the process of identifying and developing supplemental process technologies to accelerate the tank waste cleanup mission. A range of technologies is being evaluated to allow disposal of Hanford waste types, including transuranic (TRU) process wastes. Ten Hanford single-shell tanks (SSTs) have been identified whose contents may meet the criteria for designation as TRU waste: the B-200 series (241-B-201, -B-202, -B 203, and B 204), the T-200 series (241-T-201, T 202, -T-203, and -T-204), and Tanks 241-T-110 and -T-111. CH2M HILL has requested vendor proposals to develop a system to transfer and package the contact-handled TRU (CH-TRU) waste retrieved from the SSTs for subsequent disposal at the Waste Isolation Pilot Plant (WIPP). Current plans call for a modified ''dry'' retrieval process in which a liquid stream is used to help mobilize the waste for retrieval and transfer through lines and vessels. This retrieval approach requires that a significant portion of the liquid be removed from the mobilized waste sludge in a ''dewatering'' process such as centrifugation prior to transferring to waste packages in a form suitable for acceptance at WIPP. In support of CH2M HILL's effort to procure a TRU waste handling and packaging process, Pacific Northwest National Laboratory (PNNL) developed waste simulant formulations to be used in evaluating the vendor's system. For the SST CH-TRU wastes, the suite of simulants includes (1) nonradioactive chemical simulants of the liquid fraction of the waste, (2) physical simulants that reproduce the important dewatering properties of the waste, and (3) physical simulants that can be used to mimic important rheological properties of the waste at different points in the TRU waste handling and packaging process. To validate the simulant formulations, their measured properties were compared with the limited data for actual TRU waste samples. PNNL developed the final simulant formulations

  18. AUTOMATIC INTERPRETATION OF HIGH RESOLUTION SAR IMAGES: FIRST RESULTS OF SAR IMAGE SIMULATION FOR SINGLE BUILDINGS

    Directory of Open Access Journals (Sweden)

    J. Tao

    2012-09-01

    Full Text Available Due to the all-weather data acquisition capabilities, high resolution space borne Synthetic Aperture Radar (SAR plays an important role in remote sensing applications like change detection. However, because of the complex geometric mapping of buildings in urban areas, SAR images are often hard to interpret. SAR simulation techniques ease the visual interpretation of SAR images, while fully automatic interpretation is still a challenge. This paper presents a method for supporting the interpretation of high resolution SAR images with simulated radar images using a LiDAR digital surface model (DSM. Line features are extracted from the simulated and real SAR images and used for matching. A single building model is generated from the DSM and used for building recognition in the SAR image. An application for the concept is presented for the city centre of Munich where the comparison of the simulation to the TerraSAR-X data shows a good similarity. Based on the result of simulation and matching, special features (e.g. like double bounce lines, shadow areas etc. can be automatically indicated in SAR image.

  19. Fabrication and simulation of single crystal p-type Si nanowire using SOI technology

    International Nuclear Information System (INIS)

    Dehzangi, Arash; Larki, Farhad; Naseri, Mahmud G.; Navasery, Manizheh; Majlis, Burhanuddin Y.; Razip Wee, Mohd F.; Halimah, M.K.; Islam, Md. Shabiul; Md Ali, Sawal H.; Saion, Elias

    2015-01-01

    Highlights: • Single crystal silicon nanowire is fabricated on Si on insulator substrate, using atomic force microscope (AFM) nanolithography and KOH + IPA chemical wet etching. • Some of major parameters in fabrication process, such as writing speed and applied voltage along with KOH etching depth are investigated, and then the I–V characteristic of Si nanowires is measured. • For better understanding of the charge transmission through the nanowire, 3D-TCAD simulation is performed to simulate the Si nanowires with the same size of the fabricated ones, and variation of majority and minority carriers, hole quasi-Fermi level and generation/recombination rate are investigated. - Abstract: Si nanowires (SiNWs) as building blocks for nanostructured materials and nanoelectronics have attracted much attention due to their major role in device fabrication. In the present work a top-down fabrication approach as atomic force microscope (AFM) nanolithography was performed on Si on insulator (SOI) substrate to fabricate a single crystal p-type SiNW. To draw oxide patterns on top of the SOI substrate local anodic oxidation was carried out by AFM in contact mode. After the oxidation procedure, an optimized solution of 30 wt.% KOH with 10 vol.% IPA for wet etching at 63 °C was applied to extract the nanostructure. The fabricated SiNW had 70–85 nm full width at half maximum width, 90 nm thickness and 4 μm length. The SiNW was simulated using Sentaurus 3D software with the exact same size of the fabricated device. I–V characterization of the SiNW was measured and compared with simulation results. Using simulation results variation of carrier's concentrations, valence band edge energy and recombination generation rate for different applied voltage were investigated

  20. Fabrication and simulation of single crystal p-type Si nanowire using SOI technology

    Energy Technology Data Exchange (ETDEWEB)

    Dehzangi, Arash, E-mail: arashd53@hotmail.com [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Larki, Farhad [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Naseri, Mahmud G. [Department of Physics, Faculty of Science, Malayer University, Malayer, Hamedan (Iran, Islamic Republic of); Navasery, Manizheh [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Majlis, Burhanuddin Y.; Razip Wee, Mohd F. [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Halimah, M.K. [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia); Islam, Md. Shabiul; Md Ali, Sawal H. [Institute of Microengineering and Nanoelectronics (IMEN), Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia); Saion, Elias [Department of Physics, Faculty of Science, Universiti Putra Malaysia, 43400 Serdang, Selangor (Malaysia)

    2015-04-15

    Highlights: • Single crystal silicon nanowire is fabricated on Si on insulator substrate, using atomic force microscope (AFM) nanolithography and KOH + IPA chemical wet etching. • Some of major parameters in fabrication process, such as writing speed and applied voltage along with KOH etching depth are investigated, and then the I–V characteristic of Si nanowires is measured. • For better understanding of the charge transmission through the nanowire, 3D-TCAD simulation is performed to simulate the Si nanowires with the same size of the fabricated ones, and variation of majority and minority carriers, hole quasi-Fermi level and generation/recombination rate are investigated. - Abstract: Si nanowires (SiNWs) as building blocks for nanostructured materials and nanoelectronics have attracted much attention due to their major role in device fabrication. In the present work a top-down fabrication approach as atomic force microscope (AFM) nanolithography was performed on Si on insulator (SOI) substrate to fabricate a single crystal p-type SiNW. To draw oxide patterns on top of the SOI substrate local anodic oxidation was carried out by AFM in contact mode. After the oxidation procedure, an optimized solution of 30 wt.% KOH with 10 vol.% IPA for wet etching at 63 °C was applied to extract the nanostructure. The fabricated SiNW had 70–85 nm full width at half maximum width, 90 nm thickness and 4 μm length. The SiNW was simulated using Sentaurus 3D software with the exact same size of the fabricated device. I–V characterization of the SiNW was measured and compared with simulation results. Using simulation results variation of carrier's concentrations, valence band edge energy and recombination generation rate for different applied voltage were investigated.

  1. Thermodynamic simulation of condensation heat recovery characteristics of a single stage centrifugal chiller in a hotel

    International Nuclear Information System (INIS)

    Gong, Guangcai; Chen, Feihu; Su, Huan; Zhou, Jianyong

    2012-01-01

    Highlights: ► Thermodynamic model of a two-condenser condensation system has been carried out. ► Dynamic simulation method has been presented. ► COP and g of the refrigerating system is better than the single condensation system. ► The optimal parameters for the two-condenser condensation system have been studied. -- Abstract: A thermodynamic simulation study has been carried out for a single stage centrifugal chiller in this paper. The cooling capacity of the chiller unit is about 1750 kW. The chiller unit has been set and tested, and the work refrigerant is R22. A heat exchanger has been set between outlet of the compressor and the condenser for sanitary hot water supplying. Then the chiller unit is a kind of combined system that can provide sanitary hot water supplying and air conditioning simultaneously. A thermodynamic simulation model of the combined system has been established with the system simulation toolbox Simulink. Performance of the components and the combined system of the chiller unit has been studied over a wide range of operating conditions. The potential energy and fuel cost saving associated with the use of the proposed combined system for a typical hotel in south China has been estimated. It is showed that the combined system of the chiller unit is very useful in hotel buildings. And the thermodynamic simulation model of the combined system is significance for the optimization of parameters of the chiller unit such as condensation and evaporation temperature, mass flow of the sanitary hot water and size of hot water storage tank.

  2. Relativistic n-body wave equations in scalar quantum field theory

    International Nuclear Information System (INIS)

    Emami-Razavi, Mohsen

    2006-01-01

    The variational method in a reformulated Hamiltonian formalism of Quantum Field Theory (QFT) is used to derive relativistic n-body wave equations for scalar particles (bosons) interacting via a massive or massless mediating scalar field (the scalar Yukawa model). Simple Fock-space variational trial states are used to derive relativistic n-body wave equations. The equations are shown to have the Schroedinger non-relativistic limits, with Coulombic interparticle potentials in the case of a massless mediating field and Yukawa interparticle potentials in the case of a massive mediating field. Some examples of approximate ground state solutions of the n-body relativistic equations are obtained for various strengths of coupling, for both massive and massless mediating fields

  3. Diffusion of Supercritical Fluids through Single-Layer Nanoporous Solids: Theory and Molecular Simulations.

    Science.gov (United States)

    Oulebsir, Fouad; Vermorel, Romain; Galliero, Guillaume

    2018-01-16

    With the advent of graphene material, membranes based on single-layer nanoporous solids appear as promising devices for fluid separation, be it liquid or gaseous mixtures. The design of such architectured porous materials would greatly benefit from accurate models that can predict their transport and separation properties. More specifically, there is no universal understanding of how parameters such as temperature, fluid loading conditions, or the ratio of the pore size to the fluid molecular diameter influence the permeation process. In this study, we address the problem of pure supercritical fluids diffusing through simplified models of single-layer porous materials. Basically, we investigate a toy model that consists of a single-layer lattice of Lennard-Jones interaction sites with a slit gap of controllable width. We performed extensive equilibrium and biased molecular dynamics simulations to document the physical mechanisms involved at the molecular scale. We propose a general constitutive equation for the diffusional transport coefficient derived from classical statistical mechanics and kinetic theory, which can be further simplified in the ideal gas limit. This transport coefficient relates the molecular flux to the fluid density jump across the single-layer membrane. It is found to be proportional to the accessible surface porosity of the single-layer porous solid and to a thermodynamic factor accounting for the inhomogeneity of the fluid close to the pore entrance. Both quantities directly depend on the potential of mean force that results from molecular interactions between solid and fluid atoms. Comparisons with the simulations data show that the kinetic model captures how narrowing the pore size below the fluid molecular diameter lowers dramatically the value of the transport coefficient. Furthermore, we demonstrate that our general constitutive equation allows for a consistent interpretation of the intricate effects of temperature and fluid loading

  4. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    Energy Technology Data Exchange (ETDEWEB)

    Kadoura, Ahmad, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Sun, Shuyu, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa [Computational Transport Phenomena Laboratory, The Earth Sciences and Engineering Department, The Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia); Siripatana, Adil, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa; Hoteit, Ibrahim, E-mail: ibrahim.hoteit@kaust.edu.sa [Earth Fluid Modeling and Predicting Group, The Earth Sciences and Engineering Department, The Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia); Knio, Omar, E-mail: ahmad.kadoura@kaust.edu.sa, E-mail: adil.siripatana@kaust.edu.sa, E-mail: shuyu.sun@kaust.edu.sa, E-mail: omar.knio@kaust.edu.sa [Uncertainty Quantification Center, The Applied Mathematics and Computational Science Department, The Computer, Electrical and Mathematical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900 (Saudi Arabia)

    2016-06-07

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH{sub 4}, N{sub 2}, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO{sub 2} and C{sub 2} H{sub 6}.

  5. Single side damage simulations and detection in beam-like structures

    International Nuclear Information System (INIS)

    Zhou, Yun-Lai; Perera, R; Wahab, M Abdel; Maia, N; Sampaio, R; Figueiredo, E

    2015-01-01

    Beam-like structures are the most common components in real engineering, while single side damage is often encountered. In this study, a numerical analysis of single side damage in a free-free beam is analysed with three different finite element models; namely solid, shell and beam models for demonstrating their performance in simulating real structures. Similar to experiment, damage is introduced into one side of the beam, and natural frequencies are extracted from the simulations and compared with experimental and analytical results. Mode shapes are also analysed with modal assurance criterion. The results from simulations reveal a good performance of the three models in extracting natural frequencies, and solid model performs better than shell while shell model performs better than beam model under intact state. For damaged states, the natural frequencies captured from solid model show more sensitivity to damage severity than shell model and shell model performs similar to the beam model in distinguishing damage. The main contribution of this paper is to perform a comparison between three finite element models and experimental data as well as analytical solutions. The finite element results show a relatively well performance. (paper)

  6. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    KAUST Repository

    Kadoura, Ahmad Salim

    2016-06-01

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH4, N2, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO2 and C2 H6.

  7. Simulating the 2012 High Plains drought using three single column versions (SCM) of BUGS5

    Science.gov (United States)

    Medina, I. D.; Denning, S.

    2013-12-01

    The impact of changes in the frequency and severity of drought on fresh water sustainability is a great concern for many regions of the world. One such location is the High Plains, where the local economy is primarily driven by fresh water withdrawals from the Ogallala Aquifer, which accounts for approximately 30% of total irrigation withdrawals from all U.S. aquifers combined. Modeling studies that focus on the feedback mechanisms that control the climate and eco-hydrology during times of drought are limited, and have used conventional General Circulation Models (GCMs) with grid length scales ranging from one hundred to several hundred kilometers. Additionally, these models utilize crude statistical parameterizations of cloud processes for estimating sub-grid fluxes of heat and moisture and have a poor representation of land surface heterogeneity. For this research, we will focus on the 2012 High Plains drought and will perform numerical simulations using three single column versions (SCM) of BUGS5 (Colorado State University (CSU) GCM coupled to the Simple Biosphere Model (SiB3)) at multiple sites overlying the Ogallala Aquifer for the 2011-2012 periods. In the first version of BUGS5, the model will be used in its standard bulk setting (single atmospheric column coupled to a single instance of SiB3), secondly, the Super-Parameterized Community Atmospheric Model (SP-CAM), a cloud resolving model (CRM consists of 64 atmospheric columns), will replace the single CSU GCM atmospheric parameterization and will be coupled to a single instance of SiB3, and for the third version of BUGS5, an instance of SiB3 will be coupled to each CRM column of the SP-CAM (64 CRM columns coupled to 64 instances of SiB3). To assess the physical realism of the land-atmosphere feedbacks simulated at each site by all versions of BUGS5, differences in simulated energy and moisture fluxes will be computed between the 2011 and 2012 period and will be compared to differences calculated using

  8. TreePM: A Code for Cosmological N-Body Simulations

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    particle summation of the short range force takes a lot of time in highly clustered ... Our approach is to divide force into long and short range components ..... code, the memory requirement is obviously greater than that for either one code. We.

  9. From single Debye-Hückel chains to polyelectrolyte solutions: Simulation results

    Science.gov (United States)

    Kremer, Kurt

    1996-03-01

    This lecture will present results from simulations of single weakly charged flexible chains, where the electrostatic part of the interaction is modeled by a Debye-Hückel potential,( with U. Micka, IFF, Forschungszentrum Jülich, 52425 Jülich, Germany) as well as simulations of polyelectrolyte solutions, where the counterions are explicitly taken into account( with M. J. Stevens, Sandia Nat. Lab., Albuquerque, NM 87185-1111) ( M. J. Stevens, K. Kremer, JCP 103), 1669 (1995). The first set of the simulations is meant to clear a recent contoversy on the dependency of the persistence length LP on the screening length Γ. While the analytic theories give Lp ~ Γ^x with either x=1 or x=2, the simulations find for all experimentally accessible chain lengths a varying exponent, which is significantly smaller than 1. This causes serious doubts on the applicability of this model for weakly charged polyelectrolytes in general. The second part deals with strongly charged flexible polyelectrolytes in salt free solution. These simulations are performed for multichain systems. The full Coulomb interactions of the monomers and counterions are treated explicitly. Experimental measurements of the osmotic pressure and the structure factor are reproduced and extended. The simulations reveal a new picture of the chain structure based on calculations of the structure factor, persistence length, end-to-end distance, etc. Even at very low density, the chains show significant bending. Furthermore, the chains contract significantly before they start to overlap. We also show that counterion condensation dramatically alters the chain structure, even for a good solvent backbone.

  10. A simulation study on the dose distribution for a single beam of the gamma knife

    International Nuclear Information System (INIS)

    Chen, Chin-cheng; Jiang, Shiang-Huei; Lee, Chung-chi; Shiau, Cheng-Ying

    2000-01-01

    The purpose of this study is to evaluate the impact of the tissue heterogeneity on the dose distribution for a single beam of the gamma knife. The EGS4 Monte Carlo code was used to simulate both depth and radial profiles of the radiation dose in homogeneous and heterogeneous phantoms, respectively. The results are compared with the dose distribution calculated using the mathematical model of Gamma Plan, the treatment planning system of the gamma knife. The skull and sinus heterogeneity were simulated by a Teflon shell and an air shell, respectively. It was found that the tissue heterogeneity caused significant perturbation on the absolute depth dose at the focus as well as on the depth-dose distribution near the phantom surface and/or at the interface but little effect on the radial dose distribution. The effect of the beam aperture on the depth-dose distribution was also investigated in this study. (author)

  11. Radiography simulation on single-shot dual-spectrum X-ray for cargo inspection system

    International Nuclear Information System (INIS)

    Gil, Youngmi; Oh, Youngdo; Cho, Moohyun; Namkung, Won

    2011-01-01

    We propose a method to identify materials in the dual energy X-ray (DeX) inspection system. This method identifies materials by combining information on the relative proportions T of high-energy and low-energy X-rays transmitted through the material, and the ratio R of the attenuation coefficient of the material when high-energy are used to that when low energy X-rays are used. In Monte Carlo N-Particle Transport Code (MCNPX) simulations using the same geometry as that of the real container inspection system, this T vs. R method successfully identified tissue-equivalent plastic and several metals. In further simulations, the single-shot mode of operating the accelerator led to better distinguishing of materials than the dual-shot system.

  12. Temperature-dependent mechanical properties of single-layer molybdenum disulphide: Molecular dynamics nanoindentation simulations

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Junhua, E-mail: junhua.zhao@uni-weimar.de [Jiangsu Province Key Laboratory of Advanced Manufacturing Equipment and Technology of Food, Jiangnan University, 214122 Wuxi (China); Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); Jiang, Jin-Wu, E-mail: jwjiang5918@hotmail.com [Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); Rabczuk, Timon, E-mail: timon.rabczuk@uni-weimar.de [Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); School of Civil, Environmental and Architectural Engineering, Korea University, 136-701 Seoul (Korea, Republic of)

    2013-12-02

    The temperature-dependent mechanical properties of single-layer molybdenum disulphide (MoS{sub 2}) are obtained using molecular dynamics (MD) nanoindentation simulations. The Young's moduli, maximum load stress, and maximum loading strain decrease with increasing temperature from 4.2 K to 500 K. The obtained Young's moduli are in good agreement with those using our MD uniaxial tension simulations and the available experimental results. The tendency of maximum loading strain with different temperature is opposite with that of metal materials due to the short range Stillinger-Weber potentials in MoS{sub 2}. Furthermore, the indenter tip radius and fitting strain effect on the mechanical properties are also discussed.

  13. Simulation study on single event burnout in linear doping buffer layer engineered power VDMOSFET

    International Nuclear Information System (INIS)

    Jia Yunpeng; Su Hongyuan; Hu Dongqing; Wu Yu; Jin Rui

    2016-01-01

    The addition of a buffer layer can improve the device's secondary breakdown voltage, thus, improving the single event burnout (SEB) threshold voltage. In this paper, an N type linear doping buffer layer is proposed. According to quasi-stationary avalanche simulation and heavy ion beam simulation, the results show that an optimized linear doping buffer layer is critical. As SEB is induced by heavy ions impacting, the electric field of an optimized linear doping buffer device is much lower than that with an optimized constant doping buffer layer at a given buffer layer thickness and the same biasing voltages. Secondary breakdown voltage and the parasitic bipolar turn-on current are much higher than those with the optimized constant doping buffer layer. So the linear buffer layer is more advantageous to improving the device's SEB performance. (paper)

  14. TEMPEST simulations of the plasma transport in a single-null tokamak geometry

    International Nuclear Information System (INIS)

    Xu, X.Q.; Cohen, R.H.; Rognlien, T.D.; Bodi, K.; Krasheninnikov, S.

    2010-01-01

    We present edge kinetic ion transport simulations of tokamak plasmas in magnetic divertor geometry using the fully nonlinear (full-f) continuum code TEMPEST. Besides neoclassical transport, a term for divergence of anomalous kinetic radial flux is added to mock up the effect of turbulent transport. To study the relative roles of neoclassical and anomalous transport, TEMPEST simulations were carried out for plasma transport and flow dynamics in a single-null tokamak geometry, including the pedestal region that extends across the separatrix into the scrape-off layer and private flux region. A series of TEMPEST simulations were conducted to investigate the transition of midplane pedestal heat flux and flow from the neoclassical to the turbulent limit and the transition of divertor heat flux and flow from the kinetic to the fluid regime via an anomalous transport scan and a density scan. The TEMPEST simulation results demonstrate that turbulent transport (as modelled by large diffusion) plays a similar role to collisional decorrelation of particle orbits and that the large turbulent transport (large diffusion) leads to an apparent Maxwellianization of the particle distribution. We also show the transition of parallel heat flux and flow at the entrance to the divertor plates from the fluid to the kinetic regime. For an absorbing divertor plate boundary condition, a non-half-Maxwellian is found due to the balance between upstream radial anomalous transport and energetic ion endloss.

  15. Simulating single-event burnout of n-channel power MOSFET's

    International Nuclear Information System (INIS)

    Johnson, G.H.; Hohl, J.H.; Schrimpf, R.D.; Galloway, K.F.

    1993-01-01

    Heavy ions are ubiquitous in a space environment. Single-event burnout of power MOSFET's is a sudden catastrophic failure mechanism that is initiated by the passage of a heavy ion through the device structure. The passage of the heavy ion generates a current filament that locally turns on a parasitic n-p-n transistor inherent to the power MOSFET. Subsequent high currents and high voltage in the device induce second breakdown of the parasitic bipolar transistor and hence meltdown of the device. This paper presents a model that can be used for simulating the burnout mechanism in order to gain insight into the significant device parameters that most influence the single-event burnout susceptibility of n-channel power MOSFET's

  16. [Compared Markov with fractal models by using single-channel experimental and simulation data].

    Science.gov (United States)

    Lan, Tonghan; Wu, Hongxiu; Lin, Jiarui

    2006-10-01

    The gating mechanical kinetical of ion channels has been modeled as a Markov process. In these models it is assumed that the channel protein has a small number of discrete conformational states and kinetic rate constants connecting these states are constant, the transition rate constants among the states is independent both of time and of the previous channel activity. It is assumed in Liebovitch's fractal model that the channel exists in an infinite number of energy states, consequently, transitions from one conductance state to another would be governed by a continuum of rate constants. In this paper, a statistical comparison is presented of Markov and fractal models of ion channel gating, the analysis is based on single-channel data from ion channel voltage-dependence K+ single channel of neuron cell and simulation data from three-states Markov model.

  17. Influence of attractions on the static and dynamic properties of simulated single and multichain systems

    International Nuclear Information System (INIS)

    Bishop, M.; Kalos, M.H.; Frisch, H.L.

    1983-01-01

    The influence of the attractive portion of the Lennard-Jones potential on the statics and dynamics of both single chain and multichain systems is investigated by reptation and molecular dynamics simulations. There is no significant effect at a reduced temperature of 10.0. At a temperature of 1.7 the single chain and multichain system at low densities (0.1) indicate that the attractions cause both the chains to be significantly more compact and a slowing of the time autocorrelation functions of the square of the end-to-end distance and radius of gyration. At a moderate density of 0.5, the attractions have almost no effect on the static structure, but they still influence the dynamic properties

  18. Simulation model of a single-stage lithium bromide-water absorption cooling unit

    Science.gov (United States)

    Miao, D.

    1978-01-01

    A computer model of a LiBr-H2O single-stage absorption machine was developed. The model, utilizing a given set of design data such as water-flow rates and inlet or outlet temperatures of these flow rates but without knowing the interior characteristics of the machine (heat transfer rates and surface areas), can be used to predict or simulate off-design performance. Results from 130 off-design cases for a given commercial machine agree with the published data within 2 percent.

  19. Binary Factorization in Hopfield-Like Neural Networks: Single-Step Approximation and Computer Simulations

    Czech Academy of Sciences Publication Activity Database

    Frolov, A. A.; Sirota, A.M.; Húsek, Dušan; Muraviev, I. P.

    2004-01-01

    Roč. 14, č. 2 (2004), s. 139-152 ISSN 1210-0552 R&D Projects: GA ČR GA201/01/1192 Grant - others:BARRANDE(EU) 99010-2/99053; Intellectual computer Systems(EU) Grant 2.45 Institutional research plan: CEZ:AV0Z1030915 Keywords : nonlinear binary factor analysis * feature extraction * recurrent neural network * Single-Step approximation * neurodynamics simulation * attraction basins * Hebbian learning * unsupervised learning * neuroscience * brain function modeling Subject RIV: BA - General Mathematics

  20. Tight binding simulation study on zigzag single-walled carbon nanotubes

    Science.gov (United States)

    Sharma, Deepa; Jaggi, Neena; Gupta, Vishu

    2018-01-01

    Tight binding simulation studies using the density functional tight binding (DFTB) model have been performed on various zigzag single-walled carbon-nanotubes (SWCNTs) to investigate their electronic properties using DFTB module of the Material Studio Software version 7.0. Various combinations of different eigen-solvers and charge mixing schemes available in the DFTB Module have been tried to chalk out the electronic structure. The analytically deduced values of the bandgap of (9, 0) SWCNT were compared with the experimentally determined value reported in the literature. On comparison, it was found that the tight binding approximations tend to drastically underestimate the bandgap values. However, the combination of Anderson charge mixing method with standard eigensolver when implemented using the smart algorithm was found to produce fairly close results. These optimized model parameters were then used to determine the band structures of various zigzag SWCNTs. (9, 0) Single-walled Nanotube which is extensively being used for sensing NH3, CH4 and NO2 has been picked up as a reference material since its experimental bandgap value has been reported in the literature. It has been found to exhibit a finite energy bandgap in contrast to its expected metallic nature. The study is of utmost significance as it not only probes and validates the simulation route for predicting suitable properties of nanomaterials but also throws light on the comparative efficacy of the different approximation and rationalization quantum mechanical techniques used in simulation studies. Such simulation studies if used intelligently prove to be immensely useful to the material scientists as they not only save time and effort but also pave the way to new experiments by making valuable predictions.

  1. Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Sean A.; Apra, Edoardo; Govind, Niranjan; Hess, Wayne P.; El-Khoury, Patrick Z.

    2017-02-03

    Recent developments in nanophotonics have paved the way for achieving significant advances in the realm of single molecule chemical detection, imaging, and dynamics. In particular, surface-enhanced Raman scattering (SERS) is a powerful analytical technique that is now routinely used to identify the chemical identity of single molecules. Understanding how nanoscale physical and chemical processes affect single molecule SERS spectra and selection rules is a challenging task, and is still actively debated. Herein, we explore underappreciated chemical phenomena in ultrasensitive SERS. We observe a fluctuating excited electronic state manifold, governed by the conformational dynamics of a molecule (4,4’-dimercaptostilbene, DMS) interacting with a metallic cluster (Ag20). This affects our simulated single molecule SERS spectra; the time trajectories of a molecule interacting with its unique local environment dictates the relative intensities of the observable Raman-active vibrational states. Ab initio molecular dynamics of a model Ag20-DMS system are used to illustrate both concepts in light of recent experimental results.

  2. Numerical Simulation of Hydraulic Fracture Propagation Guided by Single Radial Boreholes

    Directory of Open Access Journals (Sweden)

    Tiankui Guo

    2017-10-01

    Full Text Available Conventional hydraulic fracturing is not effective in target oil development zones with available wellbores located in the azimuth of the non-maximum horizontal in-situ stress. To some extent, we think that the radial hydraulic jet drilling has the function of guiding hydraulic fracture propagation direction and promoting deep penetration, but this notion currently lacks an effective theoretical support for fracture propagation. In order to verify the technology, a 3D extended finite element numerical model of hydraulic fracturing promoted by the single radial borehole was established, and the influences of nine factors on propagation of hydraulic fracture guided by the single radial borehole were comprehensively analyzed. Moreover, the term ‘Guidance factor (Gf’ was introduced for the first time to effectively quantify the radial borehole guidance. The guidance of nine factors was evaluated through gray correlation analysis. The experimental results were consistent with the numerical simulation results to a certain extent. The study provides theoretical evidence for the artificial control technology of directional propagation of hydraulic fracture promoted by the single radial borehole, and it predicts the guidance effect of a single radial borehole on hydraulic fracture to a certain extent, which is helpful for planning well-completion and fracturing operation parameters in radial borehole-promoted hydraulic fracturing technology.

  3. Simulation of the phenomenon of single-phase and two-phase natural circulation

    International Nuclear Information System (INIS)

    Castrillo, Lazara Silveira

    1998-02-01

    Natural convection phenomenon is often used to remove the residual heat from the surfaces of bodies where the heat is generated e.g. during accidents or transients of nuclear power plants. Experimental study of natural circulation can be done in small scale experimental circuits and the results can be extrapolated for larger operational facilities. The numerical analysis of transients can be carried out by using large computational codes that simulate the thermohydraulic behavior in such facilities. The computational code RELAP5/MOD2, (Reactor Excursion and Leak Analysis Program) was developed by U.S. Nuclear Regulatory Commissions's. Division of Reactor Safety Research with the objective of analysis of transients and postulated accidents in the light water reactor (LWR) systems, including small and large ruptures with loss of coolant accidents (LOCA's). The results obtained by the simulation of single-phase and two-phase natural circulation, using the RELAP5/MOD2, are presented in this work. The study was carried out using the experimental circuit built at the 'Departamento de Engenharia Quimica da Escola Politecnica da Universidade de Sao Paulo'. In the circuit, two experiments were carried out with different conditions of power and mass flow, obtaining a single-phase regime with a level of power of 4706 W and flow of 5.10 -5 m 3 /s (3 l/min) and a two-phase regime with a level of power of 6536 W and secondary flow 2,33.10 -5 m 3 /s (1,4 l/min). The study allowed tio evaluate the capacity of the code for representing such phenomena as well as comparing the transients obtained theoretically with the experimental results. The comparative analysis shows that the code represents fairly well the single-phase transient, but the results for two-phase transients, starting from the nodalization and calibration used for the case single-phase transient, did not reproduce faithfully some experimental results. (author)

  4. Simulating the 2012 High Plains Drought Using Three Single Column Models (SCM)

    Science.gov (United States)

    Medina, I. D.; Baker, I. T.; Denning, S.; Dazlich, D. A.

    2015-12-01

    The impact of changes in the frequency and severity of drought on fresh water sustainability is a great concern for many regions of the world. One such location is the High Plains, where the local economy is primarily driven by fresh water withdrawals from the Ogallala Aquifer, which accounts for approximately 30% of total irrigation withdrawals from all U.S. aquifers combined. Modeling studies that focus on the feedback mechanisms that control the climate and eco-hydrology during times of drought are limited, and have used conventional General Circulation Models (GCMs) with grid length scales ranging from one hundred to several hundred kilometers. Additionally, these models utilize crude statistical parameterizations of cloud processes for estimating sub-grid fluxes of heat and moisture and have a poor representation of land surface heterogeneity. For this research, we focus on the 2012 High Plains drought and perform numerical simulations using three single column model (SCM) versions of BUGS5 (Colorado State University (CSU) GCM coupled to the Simple Biosphere Model (SiB3)). In the first version of BUGS5, the model is used in its standard bulk setting (single atmospheric column coupled to a single instance of SiB3), secondly, the Super-Parameterized Community Atmospheric Model (SP-CAM), a cloud resolving model (CRM) (CRM consists of 32 atmospheric columns), replaces the single CSU GCM atmospheric parameterization and is coupled to a single instance of SiB3, and for the third version of BUGS5, an instance of SiB3 is coupled to each CRM column of the SP-CAM (32 CRM columns coupled to 32 instances of SiB3). To assess the physical realism of the land-atmosphere feedbacks simulated by all three versions of BUGS5, differences in simulated energy and moisture fluxes are computed between the 2011 and 2012 period and are compared to those calculated using observational data from the AmeriFlux Tower Network for the same period at the ARM Site in Lamont, OK. This research

  5. Absence of positive eigenvalues for hard-core N-body systems

    DEFF Research Database (Denmark)

    Ito, K.; Skibsted, Erik

    We show absence of positive eigenvalues for generalized 2-body hard-core Schrödinger operators under the condition of bounded strictly convex obstacles. A scheme for showing absence of positive eigenvalues for generalized N-body hard-core Schrödinger operators, N≥ 2, is presented. This scheme inv...

  6. On the discrete spectrum of the N-body quantum mechanical Hamiltonian. Pt. 2

    International Nuclear Information System (INIS)

    Iorio, R.J. Jr.

    1981-01-01

    Using the Weinberg-van Winter equations we prove finiteness of the discrete spectrum of the N-body quantum mechanical Hamiltonian with pair potentials satisfying vertical stroke V(x) vertical stroke 2 ) - sup(rho), rho > 1 increase the threshold of the continuous spectrum is negative and determined exclusively by eigenvalues of two-cluster Hamiltonians. (orig.)

  7. Application of quasiexactly solvable potential method to the N-body ...

    Indian Academy of Sciences (India)

    physics pp. 985–996. Application of quasiexactly solvable potential method to the N-body ... Application of QES method to N-particle quantum model interacting via an ... Now, if we choose the centre of mass R as the origin of the coordinates,.

  8. Graphs and an exactly solvable N-body problem in one dimension

    Energy Technology Data Exchange (ETDEWEB)

    Barucchi, G [Turin Univ. (Italy). Ist. di Fisica Matematica

    1980-08-21

    The one-dimensional N-body classical problem with inversely quadratic pair potential is considered. A method of explicit construction, by means of graphs, of the constants of the motion is given. It is then shown how to obtain, by means of a computer, the position variables of the particles as numerical functions of time.

  9. Algebraic internal wave solitons and the integrable Calogero--Moser--Sutherland N-body problem

    International Nuclear Information System (INIS)

    Chen, H.H.; Lee, Y.C.; Pereira, N.R.

    1979-01-01

    The Benjamin--Ono equation that describes nonlinear internal waves in a stratified fluid is solved by a pole expansion method. The dynamics of poles which characterize solitons is shown to be identical to the well-known integrable N-body problem of Calogero, Moser, and Sutherland

  10. Computational fluid dynamics simulation of a single cylinder research engine working with biodiesel

    Directory of Open Access Journals (Sweden)

    Moldovanu Dan

    2013-01-01

    Full Text Available The main objective of the paper is to present the results of the CFD simulation of a DI single cylinder engine using diesel, biodiesel, or different mixture proportions of diesel and biodiesel and compare the results to a test bed measurement in the same functioning point. The engine used for verifying the results of the simulation is a single cylinder research engine from AVL with an open ECU, so that the injection timings and quantities can be controlled and analyzed. In Romania, until the year 2020 all the fuel stations are obliged to have mixtures of at least 10% biodiesel in diesel [14]. The main advantages using mixtures of biofuels in diesel are: the fact that biodiesel is not harmful to the environment; in order to use biodiesel in your engine no modifications are required; the price of biodiesel is smaller than diesel and also if we compare biodiesel production to the classic petroleum based diesel production, it is more energy efficient; biodiesel assures more lubrication to the engine so the life of the engine is increased; biodiesel is a sustainable fuel; using biodiesel helps maintain the environment and it keeps the people more healthy [1-3].

  11. A Cellular Automata-based Model for Simulating Restitution Property in a Single Heart Cell.

    Science.gov (United States)

    Sabzpoushan, Seyed Hojjat; Pourhasanzade, Fateme

    2011-01-01

    Ventricular fibrillation is the cause of the most sudden mortalities. Restitution is one of the specific properties of ventricular cell. The recent findings have clearly proved the correlation between the slope of restitution curve with ventricular fibrillation. This; therefore, mandates the modeling of cellular restitution to gain high importance. A cellular automaton is a powerful tool for simulating complex phenomena in a simple language. A cellular automaton is a lattice of cells where the behavior of each cell is determined by the behavior of its neighboring cells as well as the automata rule. In this paper, a simple model is depicted for the simulation of the property of restitution in a single cardiac cell using cellular automata. At first, two state variables; action potential and recovery are introduced in the automata model. In second, automata rule is determined and then recovery variable is defined in such a way so that the restitution is developed. In order to evaluate the proposed model, the generated restitution curve in our study is compared with the restitution curves from the experimental findings of valid sources. Our findings indicate that the presented model is not only capable of simulating restitution in cardiac cell, but also possesses the capability of regulating the restitution curve.

  12. Computer simulations of a single-laser double-gas-jet wakefield accelerator concept

    Directory of Open Access Journals (Sweden)

    R. G. Hemker

    2002-04-01

    Full Text Available We report in this paper on full scale 2D particle-in-cell simulations investigating laser wakefield acceleration. First we describe our findings of electron beam generation by a laser propagating through a single gas jet. Using realistic parameters which are relevant for the experimental setup in our laboratory we find that the electron beam resulting after the propagation of a 0.8 μm, 50 fs laser through a 1.5 mm gas jet has properties that would make it useful for further acceleration. Our simulations show that the electron beam is generated when the laser exits the gas jet, and the properties of the generated beam, especially its energy, depend only weakly on most properties of the gas jet. We therefore propose to use the first gas jet as a plasma cathode and then use a second gas jet placed immediately behind the first to provide additional acceleration. Our simulations of this proposed setup indicate the feasibility of this idea and also suggest ways to optimize the quality of the resulting beam.

  13. Level-set simulations of buoyancy-driven motion of single and multiple bubbles

    International Nuclear Information System (INIS)

    Balcázar, Néstor; Lehmkuhl, Oriol; Jofre, Lluís; Oliva, Assensi

    2015-01-01

    Highlights: • A conservative level-set method is validated and verified. • An extensive study of buoyancy-driven motion of single bubbles is performed. • The interactions of two spherical and ellipsoidal bubbles is studied. • The interaction of multiple bubbles is simulated in a vertical channel. - Abstract: This paper presents a numerical study of buoyancy-driven motion of single and multiple bubbles by means of the conservative level-set method. First, an extensive study of the hydrodynamics of single bubbles rising in a quiescent liquid is performed, including its shape, terminal velocity, drag coefficients and wake patterns. These results are validated against experimental and numerical data well established in the scientific literature. Then, a further study on the interaction of two spherical and ellipsoidal bubbles is performed for different orientation angles. Finally, the interaction of multiple bubbles is explored in a periodic vertical channel. The results show that the conservative level-set approach can be used for accurate modelling of bubble dynamics. Moreover, it is demonstrated that the present method is numerically stable for a wide range of Morton and Reynolds numbers.

  14. Interplay of single particle and collective response in molecular dynamics simulation of dusty plasma system

    Science.gov (United States)

    Maity, Srimanta; Das, Amita; Kumar, Sandeep; Tiwari, Sanat Kumar

    2018-04-01

    The collective response of the plasma medium is well known and has been explored extensively in the context of dusty plasma medium. On the other hand, the individual particle response associated with the collisional character giving rise to the dissipative phenomena has not been explored adequately. In this paper, two-dimensional molecular dynamics simulation of dust particles interacting via Yukawa potential has been considered. It has been shown that disturbances induced in a dust crystal elicit both collective and single particle responses. Generation of a few particles moving at speeds considerably higher than acoustic and/or shock speed (excited by the external disturbance) is observed. This is an indication of a single particle response. Furthermore, as these individual energetic particles propagate, the dust crystal is observed to crack along their path. Initially when the energy is high, these particles generate secondary energetic particles by the collisional scattering process. However, ultimately as these particles slow down they excite a collective response in the dust medium at secondary locations in a region which is undisturbed by the primary external disturbance. The condition when the cracking of the crystal stops and collective excitations get initiated has been identified quantitatively. The trailing collective primary disturbances would thus often encounter a disturbed medium with secondary and tertiary collective perturbations, thereby suffering significant modification in its propagation. It is thus clear that there is an interesting interplay (other than mere dissipation) between the single particle and collective response which governs the dynamics of any disturbance introduced in the medium.

  15. SINGLE-PHASE AND TWO-PHASE SECONDARY COOLANTS: SIMULATION AND EVALUATION OF THEIR THERMOPHYSICAL PROPERTIES

    Directory of Open Access Journals (Sweden)

    Pedro Samuel Gomes Medeiros

    2011-09-01

    Full Text Available This paper makes a comparative analysis of the thermophysical properties of ice slurry with conventional single-phase secondary fluids used in thermal storage cooling systems. The ice slurry is a two-phase fluid consisting of water, antifreeze and ice crystals. It is a new technology that has shown great energy potential. In addition to transporting energy as a heat transfer fluid, it has thermal storage properties due to the presence of ice, storing coolness by latent heat of fusion. The single-phase fluids analyzed are water-NaCl and water-propylene glycol solutions, which also operate as carrier fluids in ice slurry. The presence of ice changes the thermophysical properties of aqueous solutions and a number of these properties were determined: density, thermal conductivity and dynamic viscosity. Data were obtained by software simulation. The results show that the presence of 10% by weight of ice provides a significant increase in thermal conductivity and dynamic viscosity, without causing changes in density. The rheological behavior of ice slurries, associated with its high viscosity, requires higher pumping power; however, this was not significant because higher thermal conductivity allows a lower mass flow rate without the use of larger pumps. Thus, the ice slurry ensures its high potential as a secondary fluid in thermal storage cooling systems, proving to be more efficient than single-phase secondary fluids.

  16. Quasi-Static Single-Component Hybrid Simulation of a Composite Structure with Multi-Axis Control

    DEFF Research Database (Denmark)

    Høgh, J.; Waldbjørn, J.; Wittrup-Schmidt, J.

    2015-01-01

    This paper presents a quasi-static hybrid simulation performed on a single component structure. Hybrid simulation is a substructural technique, where a structure is divided into two sections: a numerical section of the main structure and a physical experiment of the remainder. In previous cases...

  17. Synthetic CT: Simulating low dose single and dual energy protocols from a dual energy scan

    International Nuclear Information System (INIS)

    Wang, Adam S.; Pelc, Norbert J.

    2011-01-01

    Purpose: The choice of CT protocol can greatly impact patient dose and image quality. Since acquiring multiple scans at different techniques on a given patient is undesirable, the ability to predict image quality changes starting from a high quality exam can be quite useful. While existing methods allow one to generate simulated images of lower exposure (mAs) from an acquired CT exam, the authors present and validate a new method called synthetic CT that can generate realistic images of a patient at arbitrary low dose protocols (kVp, mAs, and filtration) for both single and dual energy scans. Methods: The synthetic CT algorithm is derived by carefully ensuring that the expected signal and noise are accurate for the simulated protocol. The method relies on the observation that the material decomposition from a dual energy CT scan allows the transmission of an arbitrary spectrum to be predicted. It requires an initial dual energy scan of the patient to either synthesize raw projections of a single energy scan or synthesize the material decompositions of a dual energy scan. The initial dual energy scan contributes inherent noise to the synthesized projections that must be accounted for before adding more noise to simulate low dose protocols. Therefore, synthetic CT is subject to the constraint that the synthesized data have noise greater than the inherent noise. The authors experimentally validated the synthetic CT algorithm across a range of protocols using a dual energy scan of an acrylic phantom with solutions of different iodine concentrations. An initial 80/140 kVp dual energy scan of the phantom provided the material decomposition necessary to synthesize images at 100 kVp and at 120 kVp, across a range of mAs values. They compared these synthesized single energy scans of the phantom to actual scans at the same protocols. Furthermore, material decompositions of a 100/120 kVp dual energy scan are synthesized by adding correlated noise to the initial material

  18. SU-F-J-110: MRI-Guided Single-Session Simulation, Online Adaptation, and Treatment

    International Nuclear Information System (INIS)

    Hill, P; Geurts, M; Mittauer, K; Bayouth, J

    2016-01-01

    Purpose: To develop a combined simulation and treatment workflow for MRI-guided radiation therapy using the ViewRay treatment planning and delivery system. Methods: Several features of the ViewRay MRIdian planning and treatment workflows are used to simulate and treat patients that require emergent radiotherapy. A simple “pre-plan” is created on diagnostic imaging retrieved from radiology PACS, where conformal fields are created to target a volume defined by a physician based on review of the diagnostic images and chart notes. After initial consult in radiation oncology, the patient is brought to the treatment room, immobilized, and imaged in treatment position with a volumetric MR. While the patient rests on the table, the pre-plan is applied to the treatment planning MR and dose is calculated in the treatment geometry. After physician review, modification of the plan may include updating the target definition, redefining fields, or re-balancing beam weights. Once an acceptable treatment plan is finalized and approved, the patient is treated. Results: Careful preparation and judicious choices in the online planning process allow conformal treatment plans to be created and delivered in a single, thirty-minute session. Several advantages have been identified using this process as compared to conventional urgent CT simulation and delivery. Efficiency gains are notable, as physicians appreciate the predictable time commitment and patient waiting time for treatment is decreased. MR guidance in a treatment position offers both enhanced contrast for target delineation and reduction of setup uncertainties. The MRIdian system tools designed for adaptive radiotherapy are particularly useful, enabling plan changes to be made in minutes. Finally, the resulting plans, typically 6 conformal beams, are delivered as quickly as more conventional AP/PA beam arrangements with comparatively superior dose distributions. Conclusion: The ViewRay treatment planning software and

  19. Implementation of the n-body Monte-Carlo event generator into the Geant4 toolkit for photonuclear studies

    Energy Technology Data Exchange (ETDEWEB)

    Luo, Wen, E-mail: wenluo-ok@163.com [School of Nuclear Science and Technology, University of South China, Hengyang 421001 (China); Lan, Hao-yang [School of Nuclear Science and Technology, University of South China, Hengyang 421001 (China); Xu, Yi; Balabanski, Dimiter L. [Extreme Light Infrastructure-Nuclear Physics, “Horia Hulubei” National Institute for Physics and Nuclear Engineering (IFIN-HH), 30 Reactorului, 077125 Bucharest-Magurele (Romania)

    2017-03-21

    A data-based Monte Carlo simulation algorithm, Geant4-GENBOD, was developed by coupling the n-body Monte-Carlo event generator to the Geant4 toolkit, aiming at accurate simulations of specific photonuclear reactions for diverse photonuclear physics studies. Good comparisons of Geant4-GENBOD calculations with reported measurements of photo-neutron production cross-sections and yields, and with reported energy spectra of the {sup 6}Li(n,α)t reaction were performed. Good agreements between the calculations and experimental data were found and the validation of the developed program was verified consequently. Furthermore, simulations for the {sup 92}Mo(γ,p) reaction of astrophysics relevance and photo-neutron production of {sup 99}Mo/{sup 99m}Tc and {sup 225}Ra/{sup 225}Ac radioisotopes were investigated, which demonstrate the applicability of this program. We conclude that the Geant4-GENBOD is a reliable tool for study of the emerging experiment programs at high-intensity γ-beam laboratories, such as the Extreme Light Infrastructure – Nuclear Physics facility and the High Intensity Gamma-Ray Source at Duke University.

  20. The Schroedinger-Poisson equations as the large-N limit of the Newtonian N-body system. Applications to the large scale dark matter dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Briscese, Fabio [Northumbria University, Department of Mathematics, Physics and Electrical Engineering, Newcastle upon Tyne (United Kingdom); Citta Universitaria, Istituto Nazionale di Alta Matematica Francesco Severi, Gruppo Nazionale di Fisica Matematica, Rome (Italy)

    2017-09-15

    In this paper it is argued how the dynamics of the classical Newtonian N-body system can be described in terms of the Schroedinger-Poisson equations in the large N limit. This result is based on the stochastic quantization introduced by Nelson, and on the Calogero conjecture. According to the Calogero conjecture, the emerging effective Planck constant is computed in terms of the parameters of the N-body system as ℎ ∝ M{sup 5/3}G{sup 1/2}(N/ left angle ρ right angle){sup 1/6}, where is G the gravitational constant, N and M are the number and the mass of the bodies, and left angle ρ right angle is their average density. The relevance of this result in the context of large scale structure formation is discussed. In particular, this finding gives a further argument in support of the validity of the Schroedinger method as numerical double of the N-body simulations of dark matter dynamics at large cosmological scales. (orig.)

  1. Atomistic simulation of fcc—bcc phase transition in single crystal Al under uniform compression

    International Nuclear Information System (INIS)

    Li Li; Liang Jiu-Qing; Shao Jian-Li; Duan Su-Qing; Li Yan-Fang

    2012-01-01

    By molecular dynamics simulations employing an embedded atom model potential, we investigate the fcc-to-bcc phase transition in single crystal Al, caused by uniform compression. Results show that the fcc structure is unstable when the pressure is over 250 GPa, in reasonable agreement with the calculated value through the density functional theory. The morphology evolution of the structural transition and the corresponding transition mechanism are analysed in detail. The bcc (011) planes are transited from the fcc (111-bar) plane and the (11-bar1) plane. We suggest that the transition mechanism consists mainly of compression, shear, slid and rotation of the lattice. In addition, our radial distribution function analysis explicitly indicates the phase transition of Al from fcc phase to bcc structure. (condensed matter: structural, mechanical, and thermal properties)

  2. Investigating Simulated Driving Errors in Amnestic Single- and Multiple-Domain Mild Cognitive Impairment.

    Science.gov (United States)

    Hird, Megan A; Vesely, Kristin A; Fischer, Corinne E; Graham, Simon J; Naglie, Gary; Schweizer, Tom A

    2017-01-01

    The areas of driving impairment characteristic of mild cognitive impairment (MCI) remain unclear. This study compared the simulated driving performance of 24 individuals with MCI, including amnestic single-domain (sd-MCI, n = 11) and amnestic multiple-domain MCI (md-MCI, n = 13), and 20 age-matched controls. Individuals with MCI committed over twice as many driving errors (20.0 versus 9.9), demonstrated difficulty with lane maintenance, and committed more errors during left turns with traffic compared to healthy controls. Specifically, individuals with md-MCI demonstrated greater driving difficulty compared to healthy controls, relative to those with sd-MCI. Differentiating between different subtypes of MCI may be important when evaluating driving safety.

  3. Single-particle and collective dynamics of methanol confined in carbon nanotubes: a computer simulation study

    International Nuclear Information System (INIS)

    Garberoglio, Giovanni

    2010-01-01

    We present the results of computer simulations of methanol confined in carbon nanotubes. Different levels of confinement were identified as a function of the nanotube radius and characterized using a pair-distribution function adapted to the cylindrical geometry of these systems. Dynamical properties of methanol were also analysed as a function of the nanotube size, both at the level of single-particle and collective properties. We found that confinement in narrow carbon nanotubes strongly affects the dynamical properties of methanol with respect to the bulk phase, due to the strong interaction with the carbon nanotube. In the other cases, confined methanol shows properties quite similar to those of the bulk phase. These phenomena are related to the peculiar hydrogen bonded network of methanol and are compared to the behaviour of water confined in similar conditions. The effect of nanotube flexibility on the dynamical properties of confined methanol is also discussed.

  4. Si-coated single-walled carbon nanotubes under axial loads: An atomistic simulation study

    International Nuclear Information System (INIS)

    Song Haiyang; Zha Xinwei

    2007-01-01

    The mechanical properties of the Si-coated imperfect (5, 5) single-walled carbon nanotube (SWCNT), the imperfect (5, 5) SWCNT and several perfect armchair SWCNTs under axial loads were investigated using molecular dynamics simulation. The interactions between atoms were modeled using the empirical Tersoff potential and the Tersoff-Brenner potential coupled with the Lennard-Jones potential. We get Young's modulus of the defective (5, 5) nanotube with and without the Si coating under axial tension 1107.92 and 1076.02 GPa, respectively. The results also show that the structure failure of the Si-coated imperfect (5, 5) SWCNT under axial compression occurs at a slightly higher strain than for the perfect (5, 5) SWCNT. Therefore, we can confirm the protective effect of Si as a coating material for defective SWCNTs. We also obtain the critical buckling strains of perfect SWCNTs

  5. Experimental and simulation studies on a single pass, double duct solar air heater

    Energy Technology Data Exchange (ETDEWEB)

    Forson, F.K. [Kwame Nkrumah Univ. of Science and Technology, Dept. of Mechanical Engineering, Kumasi (Ghana); Rajakaruna, H. [De Montfort Univ., School of Engineering and Technology, Leicester (United Kingdom)

    2003-05-01

    A mathematical model of a single pass, double duct solar air heater (SPDDSAH) is described. The model provides a design tool capable of predicting: incident solar radiation, heat transfer coefficients, mean air flow rates, mean air temperature and relative humidity at the exit. Results from the simulation are presented and compared with experimental ones obtained on a full scale air heater and a small scale laboratory one. Reasonable agreement between the predicted and measured values is demonstrated. Predicted results from a parametric study are also presented. It is shown that significant improvement in the SPDDSAH performance can be obtained with an appropriate choice of the collector parameters and the top to bottom channel depth ratio of the two ducts. The air mass flow rate is shown to be the dominant factor in determining the overall efficiency of the heater. (Author)

  6. Simulation Study of Single Photon Emission Computed Tomography for Industrial Applications

    International Nuclear Information System (INIS)

    Roy, Tushar; Sarkar, P. S.; Sinha, Amar

    2008-01-01

    SPECT (Single Photon Emission Computed Tomography) provides for an invaluable non-invasive technique for the characterization and activity distribution of the gamma-emitting source. For many applications of radioisotopes for medical and industrial application, not only the positional information of the distribution of radioisotopes is needed but also its strength. The well-established X-ray radiography or transmission tomography techniques do not yield sufficient quantitative information about these objects. Emission tomography is one of the important methods for such characterization. Application of parallel beam, fan beam and 3D cone beam emission tomography methods have been discussed in this paper. Simulation studies to test these algorithms have been carried out to validate the technique.

  7. Simultaneous positioning and orientation of a single nano-object by flow control: theory and simulations

    International Nuclear Information System (INIS)

    Mathai, Pramod P; Berglund, Andrew J; Alexander Liddle, J; Shapiro, Benjamin A

    2011-01-01

    In this paper, we theoretically describe a method to simultaneously control both the position and orientation of single nano-objects in fluids by precisely controlling the flow around them. We develop and simulate a control law that uses electro-osmotic flow (EOF) actuation to translate and rotate rigid nano-objects in two spatial dimensions. Using EOF to control nano-objects offers advantages as compared to other approaches: a wide class of objects can be manipulated (no magnetic or electric dipole moments are needed), the object can be controlled over a long range (>100 μm) with sub-micrometer accuracy, and control may be achieved with simple polydimethylsiloxane (PDMS) devices. We demonstrate the theory and numerical solutions that will enable deterministic control of the position and orientation of a nano-object in solution, which can be used, for example, to integrate nanostructures in circuits and orient sensors to probe living cells.

  8. Multiphysical simulation analysis of the dislocation structure in germanium single crystals

    Science.gov (United States)

    Podkopaev, O. I.; Artemyev, V. V.; Smirnov, A. D.; Mamedov, V. M.; Sid'ko, A. P.; Kalaev, V. V.; Kravtsova, E. D.; Shimanskii, A. F.

    2016-09-01

    To grow high-quality germanium crystals is one of the most important problems of growth industry. The dislocation density is an important parameter of the quality of single crystals. The dislocation densities in germanium crystals 100 mm in diameter, which have various shapes of the side surface and are grown by the Czochralski technique, are experimentally measured. The crystal growth is numerically simulated using heat-transfer and hydrodynamics models and the Alexander-Haasen dislocation model in terms of the CGSim software package. A comparison of the experimental and calculated dislocation densities shows that the dislocation model can be applied to study lattice defects in germanium crystals and to improve their quality.

  9. Numerical simulation of single-phase and multiphase non-Darcy flowin porous and fractured reservoirs

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Yu-Shu

    2000-06-02

    A numerical method as well as a theoretical study of non-Darcy fluid flow of through porous and fractured reservoirs is described. The non-Darcy flow is handled in a three-dimensional, multiphase flow reservoir simulator, while the model formulation incorporates the Forchheimer equation for describing single-phase or multiphase non-Darcy flow and displacement. The numerical scheme has been verified by comparing its results against those of analytical methods. Numerical solutions are used to obtain some insight into the physics of non-Darcy flow and displacement in reservoirs. In addition, several type curves are provided for well-test analyses of non-Darcy flow to demonstrate a methodology for modeling this type of flow in porous and fractured rocks, including flow in geothermal reservoirs.

  10. Evaluation of single and stack membraneless enzymatic fuel cells based on ethanol in simulated body fluids.

    Science.gov (United States)

    Galindo-de-la-Rosa, J; Arjona, N; Moreno-Zuria, A; Ortiz-Ortega, E; Guerra-Balcázar, M; Ledesma-García, J; Arriaga, L G

    2017-06-15

    The purpose of this work is to evaluate single and double-cell membraneless microfluidic fuel cells (MMFCs) that operate in the presence of simulated body fluids SBF, human serum and blood enriched with ethanol as fuels. The study was performed using the alcohol dehydrogenase enzyme immobilised by covalent binding through an array composed of carbon Toray paper as support and a layer of poly(methylene blue)/tetrabutylammonium bromide/Nafion and glutaraldehyde (3D bioanode electrode). The single MMFC was tested in a hybrid microfluidic fuel cell using Pt/C as the cathode. A cell voltage of 1.035V and power density of 3.154mWcm -2 were observed, which is the highest performance reported to date. The stability and durability were tested through chronoamperometry and polarisation/performance curves obtained at different days, which demonstrated a slow decrease in the power density on day 10 (14%) and day 20 (26%). Additionally, the cell was tested for ethanol oxidation in simulated body fluid (SBF) with ionic composition similar to human blood plasma. Those tests resulted in 0.93V of cell voltage and a power density close to 1.237mWcm -2 . The double cell MMFC (Stack) was tested using serum and human blood enriched with ethanol. The stack operated with blood in a serial connection showed an excellent cell performance (0.716mWcm -2 ), demonstrating the feasibility of employing human blood as energy source. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Phase transitions of single polymer chains and of polymer solutions: insights from Monte Carlo simulations

    International Nuclear Information System (INIS)

    Binder, K; Paul, W; Strauch, T; Rampf, F; Ivanov, V; Luettmer-Strathmann, J

    2008-01-01

    The statistical mechanics of flexible and semiflexible macromolecules is distinct from that of small molecule systems, since the thermodynamic limit can also be approached when the number of (effective) monomers of a single chain (realizable by a polymer solution in the dilute limit) is approaching infinity. One can introduce effective attractive interactions into a simulation model for a single chain such that a swollen coil contracts when the temperature is reduced, until excluded volume interactions are effectively canceled by attractive forces, and the chain conformation becomes almost Gaussian at the theta point. This state corresponds to a tricritical point, as the renormalization group theory shows. Below the theta temperature a fluid globule is predicted (at nonzero concentration then phase separation between dilute and semidilute solutions occurs), while at still lower temperature a transition to a solid phase (crystal or glass) occurs. Monte Carlo simulations have shown, however, that the fluid globule phase may become suppressed, when the range of the effective attractive forces becomes too short, with the result that a direct (ultimately first-order) transition from the swollen coil to the solid occurs. This behavior is analogous to the behavior of colloidal particles with a very short range of attractive forces, where liquid-vapor-type phase separation may be suppressed. Analogous first-order transitions from swollen coils to dense rodlike or toroidal structures occur for semiflexible polymers. Finally, the modifications of the behavior discussed when the polymers are adsorbed at surfaces are also mentioned, and possible relations to wetting behavior of polymer solutions are addressed.

  12. Implementing O(N N-Body Algorithms Efficiently in Data-Parallel Languages

    Directory of Open Access Journals (Sweden)

    Yu Hu

    1996-01-01

    Full Text Available The optimization techniques for hierarchical O(N N-body algorithms described here focus on managing the data distribution and the data references, both between the memories of different nodes and within the memory hierarchy of each node. We show how the techniques can be expressed in data-parallel languages, such as High Performance Fortran (HPF and Connection Machine Fortran (CMF. The effectiveness of our techniques is demonstrated on an implementation of Anderson's hierarchical O(N N-body method for the Connection Machine system CM-5/5E. Of the total execution time, communication accounts for about 10–20% of the total time, with the average efficiency for arithmetic operations being about 40% and the total efficiency (including communication being about 35%. For the CM-5E, a performance in excess of 60 Mflop/s per node (peak 160 Mflop/s per node has been measured.

  13. Explicit treatment of N-body correlations within a density-matrix formalism

    International Nuclear Information System (INIS)

    Shun-Jin, W.; Cassing, W.

    1985-01-01

    The nuclear many-body problem is reformulated in the density-matrix approach such that n-body correlations are separated out from the reduced density matrix rho/sub n/. A set of equations for the time evolution of the n-body correlations c/sub n/ is derived which allows for physically transparent truncations with respect to the order of correlations. In the stationary limit (c/sub n/ = 0) a restriction to two-body correlations yields a generalized Bethe-Goldstone equation a restriction to body correlations yields generalized Faddeev equations in the density-matrix formulation. Furthermore it can be shown that any truncation of the set of equations (c/sub n/ = 0, n>m) is compatible with conservation laws, a quality which in general is not fulfilled if higher order correlations are treated perturbatively

  14. GANDALF - Graphical Astrophysics code for N-body Dynamics And Lagrangian Fluids

    Science.gov (United States)

    Hubber, D. A.; Rosotti, G. P.; Booth, R. A.

    2018-01-01

    GANDALF is a new hydrodynamics and N-body dynamics code designed for investigating planet formation, star formation and star cluster problems. GANDALF is written in C++, parallelized with both OPENMP and MPI and contains a PYTHON library for analysis and visualization. The code has been written with a fully object-oriented approach to easily allow user-defined implementations of physics modules or other algorithms. The code currently contains implementations of smoothed particle hydrodynamics, meshless finite-volume and collisional N-body schemes, but can easily be adapted to include additional particle schemes. We present in this paper the details of its implementation, results from the test suite, serial and parallel performance results and discuss the planned future development. The code is freely available as an open source project on the code-hosting website github at https://github.com/gandalfcode/gandalf and is available under the GPLv2 license.

  15. Highly eccentric hip-hop solutions of the 2 N-body problem

    Science.gov (United States)

    Barrabés, Esther; Cors, Josep M.; Pinyol, Conxita; Soler, Jaume

    2010-02-01

    We show the existence of families of hip-hop solutions in the equal-mass 2 N-body problem which are close to highly eccentric planar elliptic homographic motions of 2 N bodies plus small perpendicular non-harmonic oscillations. By introducing a parameter ɛ, the homographic motion and the small amplitude oscillations can be uncoupled into a purely Keplerian homographic motion of fixed period and a vertical oscillation described by a Hill type equation. Small changes in the eccentricity induce large variations in the period of the perpendicular oscillation and give rise, via a Bolzano argument, to resonant periodic solutions of the uncoupled system in a rotating frame. For small ɛ≠0, the topological transversality persists and Brouwer’s fixed point theorem shows the existence of this kind of solutions in the full system.

  16. Hip-hop solutions of the 2N-body problem

    Science.gov (United States)

    Barrabés, Esther; Cors, Josep Maria; Pinyol, Conxita; Soler, Jaume

    2006-05-01

    Hip-hop solutions of the 2N-body problem with equal masses are shown to exist using an analytic continuation argument. These solutions are close to planar regular 2N-gon relative equilibria with small vertical oscillations. For fixed N, an infinity of these solutions are three-dimensional choreographies, with all the bodies moving along the same closed curve in the inertial frame.

  17. Single bioreactor gastrointestinal tract simulator for study of survival of probiotic bacteria.

    Science.gov (United States)

    Sumeri, Ingrid; Arike, Liisa; Adamberg, Kaarel; Paalme, Toomas

    2008-08-01

    The aim of the present study was to design an in vitro model system to evaluate the probiotic potential of food. A single bioreactor system-gastrointestinal tract simulator (GITS) was chosen for process simulation on account of its considerable simplicity compared to multi-vessel systems used in previous studies. The bioreactor was evaluated by studying the viability of four known probiotic bacteria (Lactobacillus acidophilus La-5, Lactobacillus johnsonii NCC 533, Lactobacillus casei strain Shirota, and Lactobacillus rhamnosus GG) as a function of their physiological state. L. acidophilus and L. johnsonii survived in GITS better when introduced at an early stationary or exponential phase compared to being previously stored for 2 weeks at 4 degrees C. These two species were more resistant to bile salts and survived better than L. casei and L. rhamnosus GG. The latter two species gave large losses (up to 6 log) in plate counts independent of growth state due to the bile. However, experiments with some commercial probiotic products containing Lb. GG bacteria showed much better survival compared with model food (modified deMan-Rogosa-Sharpe growth medium), thus demonstrating the influence of the food matrix on the viability of bacteria. The study demonstrated that GITS can be successfully used for evaluation of viability of probiotic bacteria and functionality of probiotic food.

  18. Simulation study on single event burnout in linear doping buffer layer engineered power VDMOSFET

    Science.gov (United States)

    Yunpeng, Jia; Hongyuan, Su; Rui, Jin; Dongqing, Hu; Yu, Wu

    2016-02-01

    The addition of a buffer layer can improve the device's secondary breakdown voltage, thus, improving the single event burnout (SEB) threshold voltage. In this paper, an N type linear doping buffer layer is proposed. According to quasi-stationary avalanche simulation and heavy ion beam simulation, the results show that an optimized linear doping buffer layer is critical. As SEB is induced by heavy ions impacting, the electric field of an optimized linear doping buffer device is much lower than that with an optimized constant doping buffer layer at a given buffer layer thickness and the same biasing voltages. Secondary breakdown voltage and the parasitic bipolar turn-on current are much higher than those with the optimized constant doping buffer layer. So the linear buffer layer is more advantageous to improving the device's SEB performance. Project supported by the National Natural Science Foundation of China (No. 61176071), the Doctoral Fund of Ministry of Education of China (No. 20111103120016), and the Science and Technology Program of State Grid Corporation of China (No. SGRI-WD-71-13-006).

  19. Single Tube Rupture at Cold Side of Steam Generator Simulation Test Report Using the ATLAS

    International Nuclear Information System (INIS)

    Kang, Kyoung Ho; Park, Hyun Sik; Cho, Seok

    2010-12-01

    In this study, a postulated SGTR event of the APR1400 was experimentally investigated with the ATLAS. In order to simulate a double-ended rupture of a single U-tube in the APR1400, the SGTR-CL-01 test was performed with the ATLAS. The main objectives of this test were not only to provide a physical insight into the system response of the APR1400 during the SGTR but also to produce integral effect experimental data to validate the safety analysis code. In the present report, major thermal-hydraulic phenomena such as the system pressures, the collapsed water levels, and the break flow rate were presented and discussed. Following the reactor trip induced by high steam generator level (HSGL) signal, the primary system pressure decreased and the secondary system pressure increased until the MSSVs was opened. The MSSVs repeated on and off status depending on the secondary system pressure during the whole test period. Due to the break flow, the collapsed water level of the affected steam generator showed milder decrease than that of the intact steam generator. This integral effect test data will be used to evaluate the prediction capability of existing safety analysis codes of the MARS and the RELAP5 as well as the SPACE code. Furthermore, this data can be utilized to identify any code deficiency for a SGTR simulation, especially for DVI-adapted plants

  20. Benchmarking Further Single Board Computers for Building a Mini Supercomputer for Simulation of Telecommunication Systems

    Directory of Open Access Journals (Sweden)

    Gábor Lencse

    2016-01-01

    Full Text Available Parallel Discrete Event Simulation (PDES with the conservative synchronization method can be efficiently used for the performance analysis of telecommunication systems because of their good lookahead properties. For PDES, a cost effective execution platform may be built by using single board computers (SBCs, which offer relatively high computation capacity compared to their price or power consumption and especially to the space they take up. A benchmarking method is proposed and its operation is demonstrated by benchmarking ten different SBCs, namely Banana Pi, Beaglebone Black, Cubieboard2, Odroid-C1+, Odroid-U3+, Odroid-XU3 Lite, Orange Pi Plus, Radxa Rock Lite, Raspberry Pi Model B+, and Raspberry Pi 2 Model B+. Their benchmarking results are compared to find out which one should be used for building a mini supercomputer for parallel discrete-event simulation of telecommunication systems. The SBCs are also used to build a heterogeneous cluster and the performance of the cluster is tested, too.

  1. Investigating Alkylsilane Monolayer Tribology at a Single-Asperity Contact with Molecular Dynamics Simulation.

    Science.gov (United States)

    Summers, Andrew Z; Iacovella, Christopher R; Cummings, Peter T; McCabe, Clare

    2017-10-24

    Chemisorbed monolayer films are known to possess favorable characteristics for nanoscale lubrication of micro- and nanoelectromechanical systems (MEMS/NEMS). Prior studies have shown that the friction observed for monolayer-coated surfaces features a strong dependence on the geometry of contact. Specifically, tip-like geometries have been shown to penetrate into monolayer films, inducing defects in the monolayer chains and leading to plowing mechanisms during shear, which result in higher coefficients of friction (COF) than those observed for planar geometries. In this work, we use molecular dynamics simulations to examine the tribology of model silica single-asperity contacts under shear with monolayer-coated substrates featuring various film densities. It is observed that lower monolayer densities lead to reduced COFs, in contrast to results for planar systems where COF is found to be nearly independent of monolayer density. This is attributed to a liquid-like response to shear, whereby fewer defects are imparted in monolayer chains from the asperity, and chains are easily displaced by the tip as a result of the higher free volume. This transition in the mechanism of molecular plowing suggests that liquid-like films should provide favorable lubrication at single-asperity contacts.

  2. The Seepage Simulation of Single Hole and Composite Gas Drainage Based on LB Method

    Science.gov (United States)

    Chen, Yanhao; Zhong, Qiu; Gong, Zhenzhao

    2018-01-01

    Gas drainage is the most effective method to prevent and solve coal mine gas power disasters. It is very important to study the seepage flow law of gas in fissure coal gas. The LB method is a simplified computational model based on micro-scale, especially for the study of seepage problem. Based on fracture seepage mathematical model on the basis of single coal gas drainage, using the LB method during coal gas drainage of gas flow numerical simulation, this paper maps the single-hole drainage gas, symmetric slot and asymmetric slot, the different width of the slot combined drainage area gas flow under working condition of gas cloud of gas pressure, flow path diagram and flow velocity vector diagram, and analyses the influence on gas seepage field under various working conditions, and also discusses effective drainage method of the center hole slot on both sides, and preliminary exploration that is related to the combination of gas drainage has been carried on as well.

  3. Estimation of Compton Imager Using Single 3D Position-Sensitive LYSO Scintillator: Monte Carlo Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Taewoong; Lee, Hyounggun; Kim, Younghak; Lee, Wonho [Korea University, Seoul (Korea, Republic of)

    2017-07-15

    The performance of a Compton imager using a single three-dimensional position-sensitive LYSO scintillator detector was estimated using a Monte Carlo simulation. The Compton imager consisted of a single LYSO scintillator with a pixelized structure. The size of the scintillator and each pixel were 1.3 × 1.3 × 1.3 cm{sup 3} and 0.3 × 0.3 × 0.3 cm{sup 3}, respectively. The order of γ-ray interactions was determined based on the deposited energies in each detector. After the determination of the interaction sequence, various types of reconstruction algorithms such as simple back-projection, filtered back-projection, and list-mode maximum-likelihood expectation maximization (LM-MLEM) were applied and compared with each other in terms of their angular resolution and signal-tonoise ratio (SNR) for several γ-ray energies. The LM-MLEM reconstruction algorithm exhibited the best performance for Compton imaging in maintaining high angular resolution and SNR. The two sources of {sup 137}Cs (662 keV) could be distinguishable if they were more than 17 ◦ apart. The reconstructed Compton images showed the precise position and distribution of various radiation isotopes, which demonstrated the feasibility of the monitoring of nuclear materials in homeland security and radioactive waste management applications.

  4. Shaping ability of 4 different single-file systems in simulated S-shaped canals.

    Science.gov (United States)

    Saleh, Abdulrahman Mohammed; Vakili Gilani, Pouyan; Tavanafar, Saeid; Schäfer, Edgar

    2015-04-01

    The aim of this study was to compare the shaping ability of 4 different single-file systems in simulated S-shaped canals. Sixty-four S-shaped canals in resin blocks were prepared to an apical size of 25 using Reciproc (VDW, Munich, Germany), WaveOne (Dentsply Maillefer, Ballaigues, Switzerland), OneShape (Micro Méga, Besançon, France), and F360 (Komet Brasseler, Lemgo, Germany) (n = 16 canals/group) systems. Composite images were made from the superimposition of pre- and postinstrumentation images. The amount of resin removed by each system was measured by using a digital template and image analysis software. Canal aberrations and the preparation time were also recorded. The data were statistically analyzed by using analysis of variance, Tukey, and chi-square tests. Canals prepared with the F360 and OneShape systems were better centered compared with the Reciproc and WaveOne systems. Reciproc and WaveOne files removed significantly greater amounts of resin from the inner side of both curvatures (P files was significantly faster compared with WaveOne and F360 files (P file instruments were safe to use and were able to prepare the canals efficiently. However, single-file systems that are less tapered seem to be more favorable when preparing S-shaped canals. Copyright © 2015 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  5. Molecular dynamics simulations of single siloxane dendrimers: Molecular structure and intramolecular mobility of terminal groups

    Science.gov (United States)

    Kurbatov, A. O.; Balabaev, N. K.; Mazo, M. A.; Kramarenko, E. Yu.

    2018-01-01

    Molecular dynamics simulations of two types of isolated siloxane dendrimers of various generations (from the 2nd to the 8th) have been performed for temperatures ranging from 150 K to 600 K. The first type of dendrimer molecules has short spacers consisting of a single oxygen atom. In the dendrimers of the second type, spacers are longer and comprised of two oxygen atoms separated by a single silicon atom. A comparative analysis of molecular macroscopic parameters such as the gyration radius and the shape factor as well as atom distributions within dendrimer interior has been performed for varying generation number, temperature, and spacer length. It has been found that the short-spacer dendrimers of the 7th and 8th generations have a stressed central part with elongated bonds and deformed valence angles. Investigation of the time evolution of radial displacements of the terminal Si atoms has shown that a fraction of the Si groups have a reduced mobility. Therefore, rather long time trajectories (of the order of tens of nanoseconds) are required to study dendrimer intramolecular dynamics.

  6. Plastic forming simulation analysis of marine engine crankshaft single-throw

    Directory of Open Access Journals (Sweden)

    LIU Peipei

    2016-08-01

    Full Text Available The research object is for marine engine crankshaft single-throw.A 3D model of the crankshaft single-throw blank and die in forging process is established by SolidWorks software,then the 3D model is imported into metal plastic forming CAE software DEFROM-3D to carry on the plastic forming simulation,to verify the relationship between the internal flow stress and the external deformation conditions in the process of metal plastic deformation under different strain rate and temperature,and to carry on the scientific analysis based on the obtained data.The result shows that the preset temperature is higher,the stress-strain curve is relatively lower when the strain rate is constant.Sample internal flow stress will be greater and the resistance to fatigue strength will be poorer at a higher strain rate when the temperature of the blank is constant.The result also provides a theoretical basis for further optimization design.

  7. Lattice-Boltzmann Method with Dynamic Grid Refinement for Simulating Particle Deposition on a Single Fibre

    Directory of Open Access Journals (Sweden)

    Helmut Schomburg

    2013-03-01

    Full Text Available In this work a numerical approach to predict the deposition behaviour of nano-scale particles on the surface of a single fibre by resolving the resulting dendrite-like particle structures in detail is presented. The gas flow simulation is carried out by a two-dimensional Lattice-Boltzmann method, which is coupled with a Lagrangian approach for the particle motion. To decrease calculation time and system requirements the Lattice-Boltzmann model is extended to allow for local grid refinement. Because of the a priori unknown location of deposition, the simulation procedure starts on a coarse mesh which is then locally refined in a fully adaptive way in regions of accumulated particles. After each deposition the fluid flow is recalculated in order to resolve the coupling of the flow with the growing particle structures correctly. For the purpose of avoiding unphysical blocking of flow by growing particle dendrites the Lattice-Boltzmann method is extended to permeable cells in these regions using the Brinkmann equation. This extended deposition model is compared to simpler approaches, where the deposit has no retroaction on the flow or is treated as a solid structure. It is clear that the permeable model is most realistic and allows considering the particle deposition on a fibre as two-dimensional problem. Comprehensive simulations were conducted for analysing the importance of different parameters, i.e. free-stream velocity and particle diameter on the deposit structure. The results of this sensitivity analysis agree qualitatively well with former published numerical and experimental results. Finally the structure of the particle deposit was quantitatively characterised by using a modified fractal dimension.

  8. The quantum n-body problem in dimension d ⩾ n – 1: ground state

    Science.gov (United States)

    Miller, Willard, Jr.; Turbiner, Alexander V.; Escobar-Ruiz, M. A.

    2018-05-01

    We employ generalized Euler coordinates for the n body system in dimensional space, which consists of the centre-of-mass vector, relative (mutual) mass-independent distances r ij and angles as remaining coordinates. We prove that the kinetic energy of the quantum n-body problem for can be written as the sum of three terms: (i) kinetic energy of centre-of-mass, (ii) the second order differential operator which depends on relative distances alone and (iii) the differential operator which annihilates any angle-independent function. The operator has a large reflection symmetry group and in variables is an algebraic operator, which can be written in terms of generators of the hidden algebra . Thus, makes sense of the Hamiltonian of a quantum Euler–Arnold top in a constant magnetic field. It is conjectured that for any n, the similarity-transformed is the Laplace–Beltrami operator plus (effective) potential; thus, it describes a -dimensional quantum particle in curved space. This was verified for . After de-quantization the similarity-transformed becomes the Hamiltonian of the classical top with variable tensor of inertia in an external potential. This approach allows a reduction of the dn-dimensional spectral problem to a -dimensional spectral problem if the eigenfunctions depend only on relative distances. We prove that the ground state function of the n body problem depends on relative distances alone.

  9. A NEW HYBRID N-BODY-COAGULATION CODE FOR THE FORMATION OF GAS GIANT PLANETS

    International Nuclear Information System (INIS)

    Bromley, Benjamin C.; Kenyon, Scott J.

    2011-01-01

    We describe an updated version of our hybrid N-body-coagulation code for planet formation. In addition to the features of our 2006-2008 code, our treatment now includes algorithms for the one-dimensional evolution of the viscous disk, the accretion of small particles in planetary atmospheres, gas accretion onto massive cores, and the response of N-bodies to the gravitational potential of the gaseous disk and the swarm of planetesimals. To validate the N-body portion of the algorithm, we use a battery of tests in planetary dynamics. As a first application of the complete code, we consider the evolution of Pluto-mass planetesimals in a swarm of 0.1-1 cm pebbles. In a typical evolution time of 1-3 Myr, our calculations transform 0.01-0.1 M sun disks of gas and dust into planetary systems containing super-Earths, Saturns, and Jupiters. Low-mass planets form more often than massive planets; disks with smaller α form more massive planets than disks with larger α. For Jupiter-mass planets, masses of solid cores are 10-100 M + .

  10. Two-dimensional numerical simulation of the effect of single event burnout for n-channel VDMOSFET

    International Nuclear Information System (INIS)

    Guo Hongxia; Chen Yusheng; Wang Wei; Zhao Jinlong; Zhang Yimen; Zhou Hui

    2004-01-01

    2D MEDICI simulator is used to investigate the effect of Single Event Burnout (SEB) for n-channel power VDMOSFETs. The simulation results are consistent with experimental results which have been published. The simulation results are of great interest for a better understanding of the occurrence of events. The effects of the minority carrier lifetime in the base region, the base width and the emitter doping density on SEB susceptibility are verified. Some hardening solutions to SEB are provided. The work shows that the 2D simulator MEDICI is an useful tool for burnout prediction and for the evaluation of hardening solutions. (authors)

  11. Simulation of thermal-neutron-induced single-event upset using particle and heavy-ion transport code system

    International Nuclear Information System (INIS)

    Arita, Yutaka; Kihara, Yuji; Mitsuhasi, Junichi; Niita, Koji; Takai, Mikio; Ogawa, Izumi; Kishimoto, Tadafumi; Yoshihara, Tsutomu

    2007-01-01

    The simulation of a thermal-neutron-induced single-event upset (SEU) was performed on a 0.4-μm-design-rule 4 Mbit static random access memory (SRAM) using particle and heavy-ion transport code system (PHITS): The SEU rates obtained by the simulation were in very good agreement with the result of experiments. PHITS is a useful tool for simulating SEUs in semiconductor devices. To further improve the accuracy of the simulation, additional methods for tallying the energy deposition are required for PHITS. (author)

  12. AN N-BODY INTEGRATOR FOR GRAVITATING PLANETARY RINGS, AND THE OUTER EDGE OF SATURN'S B RING

    International Nuclear Information System (INIS)

    Hahn, Joseph M.; Spitale, Joseph N.

    2013-01-01

    A new symplectic N-body integrator is introduced, one designed to calculate the global 360° evolution of a self-gravitating planetary ring that is in orbit about an oblate planet. This freely available code is called epi i nt, and it is distinct from other such codes in its use of streamlines to calculate the effects of ring self-gravity. The great advantage of this approach is that the perturbing forces arise from smooth wires of ring matter rather than discreet particles, so there is very little gravitational scattering and so only a modest number of particles are needed to simulate, say, the scalloped edge of a resonantly confined ring or the propagation of spiral density waves. The code is applied to the outer edge of Saturn's B ring, and a comparison of Cassini measurements of the ring's forced response to simulations of Mimas's resonant perturbations reveals that the B ring's surface density at its outer edge is σ 0 = 195 ± 60 g cm –2 , which, if the same everywhere across the ring, would mean that the B ring's mass is about 90% of Mimas's mass. Cassini observations show that the B ring-edge has several free normal modes, which are long-lived disturbances of the ring-edge that are not driven by any known satellite resonances. Although the mechanism that excites or sustains these normal modes is unknown, we can plant such a disturbance at a simulated ring's edge and find that these modes persist without any damping for more than ∼10 5 orbits or ∼100 yr despite the simulated ring's viscosity ν s = 100 cm 2 s –1 . These simulations also indicate that impulsive disturbances at a ring can excite long-lived normal modes, which suggests that an impact in the recent past by perhaps a cloud of cometary debris might have excited these disturbances, which are quite common to many of Saturn's sharp-edged rings

  13. Numerical simulation of single bubbles rising through subchannels with interface tracking method

    International Nuclear Information System (INIS)

    Hiroyuki Yoshida; Takuji Nagayoshi; Hidesada Tamai; Tazuyuki Takase; Hajime Akimoto

    2005-01-01

    Full text of publication follows: Although the sub-channel codes are used for the thermal-hydraulic analysis of fuel bundles in nuclear reactors from the former, many compositions and empirical equations based on experimental results are needed to predict the two-phase flow behavior in details. When there are no experimental data such as the reduced-moderation light water reactor (RMWR) which is studied by the Japan Atomic Energy Research Institute (JAERI), therefore, it is very difficult to obtain highly precise predictions. The RMWR core has remarkably narrow gap spacing between fuel rods (i.e., around 1 mm) which are arranged at a triangular tight-lattice configuration. To evaluate the feasibility and to optimize the thermal design of the RMWR core, a full-scale bundle test is required. However, several systematic full-scale tests are difficult to perform during an initial design phase from economic and temporal reason. Thus, we made a plan to develop a mechanistic BT model to evaluate the effects of the geometry configuration by a two-phase flow numerical simulation. In the plan of the mechanistic BT model development, three dimensional two-phase flow simulation codes with the interface tracking method, the moving particle semi-implicit method and the advanced two-fluid model are developed. In this study, as a part of this model development, detailed two-phase flow simulation code using interface tracking method (named TPFIT) is developed. In this paper, the results of TPFIT code with the advanced interface tracking method applied to single bubbles behavior through subchannels) to verify TPFIT code performance in complicated flow channel as rod bundles. In the simulation, the flow channel is composed of a square duct and four tubes with outside diameters D = 12 mm. The width and height of the duct are 27.2 mm and 192 mm, respectively. In the flow channel, the tubes are used to simulate fuel rods. One center subchannel and four periphery subchannels exist in the

  14. Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor

    Directory of Open Access Journals (Sweden)

    Sandra Posch

    2016-09-01

    Full Text Available We here give information for a deeper understanding of single molecule force spectroscopy (SMFS data through the example of the blood protein von Willebrand factor (VWF. It is also shown, how fitting of rupture forces versus loading rate profiles in the molecular dynamics (MD loading-rate range can be used to demonstrate the qualitative agreement between SMFS and MD simulations. The recently developed model by Bullerjahn, Sturm, and Kroy (BSK was used for this demonstration. Further, Brownian dynamics (BD simulations, which can be utilized to estimate the lifetimes of intramolecular VWF interactions under physiological shear, are described. For interpretation and discussion of the methods and data presented here, we would like to directly point the reader to the related research paper, “Mutual A domain interactions in the force sensing protein von Willebrand Factor” (Posch et al., 2016 [1]. Keywords: Atomic force microscopy, Single molecule force spectroscopy, Molecular dynamics simulation, Brownian dynamics simulation, von Willebrand factor

  15. Evaporation of freely suspended single droplets: experimental, theoretical and computational simulations

    International Nuclear Information System (INIS)

    Hołyst, R; Litniewski, M; Jakubczyk, D; Kolwas, K; Kolwas, M; Kowalski, K; Migacz, S; Palesa, S; Zientara, M

    2013-01-01

    Evaporation is ubiquitous in nature. This process influences the climate, the formation of clouds, transpiration in plants, the survival of arctic organisms, the efficiency of car engines, the structure of dried materials and many other phenomena. Recent experiments discovered two novel mechanisms accompanying evaporation: temperature discontinuity at the liquid–vapour interface during evaporation and equilibration of pressures in the whole system during evaporation. None of these effects has been predicted previously by existing theories despite the fact that after 130 years of investigation the theory of evaporation was believed to be mature. These two effects call for reanalysis of existing experimental data and such is the goal of this review. In this article we analyse the experimental and the computational simulation data on the droplet evaporation of several different systems: water into its own vapour, water into the air, diethylene glycol into nitrogen and argon into its own vapour. We show that the temperature discontinuity at the liquid–vapour interface discovered by Fang and Ward (1999 Phys. Rev. E 59 417–28) is a rule rather than an exception. We show in computer simulations for a single-component system (argon) that this discontinuity is due to the constraint of momentum/pressure equilibrium during evaporation. For high vapour pressure the temperature is continuous across the liquid–vapour interface, while for small vapour pressures the temperature is discontinuous. The temperature jump at the interface is inversely proportional to the vapour density close to the interface. We have also found that all analysed data are described by the following equation: da/dt = P 1 /(a + P 2 ), where a is the radius of the evaporating droplet, t is time and P 1 and P 2 are two parameters. P 1 = −λΔT/(q eff ρ L ), where λ is the thermal conductivity coefficient in the vapour at the interface, ΔT is the temperature difference between the liquid droplet

  16. Atomistic simulations of displacement cascades in Y2O3 single crystal

    International Nuclear Information System (INIS)

    Dholakia, Manan; Chandra, Sharat; Valsakumar, M.C.; Mathi Jaya, S.

    2014-01-01

    Graphical abstract: (a) The averaged distortion index and the Y–O bond length of the Y 2 O 3 octahedra as a function of the simulation time for 5 keV PKA. (b) Shows the nearest neighbourhood of one of the Y ions as a function of simulation time, showing the destruction and the recovery of the YO 6 octahedron during the cascade corresponding to 5 keV Y PKA. - Highlights: • Qualitative difference in displacement cascades exists for Y and O PKA. • Nearest neighbour correlation between Y and O ions exists even at cascade peak. • Cascade core in Y 2 O 3 does not undergo melting. • Topological connectivity of YO 6 polyhedra plays important role in stability of Y 2 O 3 . - Abstract: We study the characteristics of displacement cascades in single crystal Y 2 O 3 using classical molecular dynamics. There are two possible ways to generate the cascades in yttria, using either the Y or the O atoms as the primary knock-on (PKA) atom. It is shown that there is a qualitative difference in the characteristics of the cascades obtained in these two cases. Even though the crystal is seen to be in a highly disordered state in the cascade volume, as seen from the plots of radial distribution function, the correlation between the Y and O atoms is not completely lost. This facilitates a quick recovery of the system during the annealing phase. Topological connectivity of the YO 6 polyhedral units plays an important role in imparting stability to the Y 2 O 3 crystal. These characteristics of the cascades can help explain the stability of the yttria nanoparticles when they are dispersed in oxide dispersion strengthened steels

  17. Joint Center Estimation Using Single-Frame Optimization: Part 1: Numerical Simulation.

    Science.gov (United States)

    Frick, Eric; Rahmatalla, Salam

    2018-04-04

    The biomechanical models used to refine and stabilize motion capture processes are almost invariably driven by joint center estimates, and any errors in joint center calculation carry over and can be compounded when calculating joint kinematics. Unfortunately, accurate determination of joint centers is a complex task, primarily due to measurements being contaminated by soft-tissue artifact (STA). This paper proposes a novel approach to joint center estimation implemented via sequential application of single-frame optimization (SFO). First, the method minimizes the variance of individual time frames’ joint center estimations via the developed variance minimization method to obtain accurate overall initial conditions. These initial conditions are used to stabilize an optimization-based linearization of human motion that determines a time-varying joint center estimation. In this manner, the complex and nonlinear behavior of human motion contaminated by STA can be captured as a continuous series of unique rigid-body realizations without requiring a complex analytical model to describe the behavior of STA. This article intends to offer proof of concept, and the presented method must be further developed before it can be reasonably applied to human motion. Numerical simulations were introduced to verify and substantiate the efficacy of the proposed methodology. When directly compared with a state-of-the-art inertial method, SFO reduced the error due to soft-tissue artifact in all cases by more than 45%. Instead of producing a single vector value to describe the joint center location during a motion capture trial as existing methods often do, the proposed method produced time-varying solutions that were highly correlated ( r > 0.82) with the true, time-varying joint center solution.

  18. Joint Center Estimation Using Single-Frame Optimization: Part 1: Numerical Simulation

    Directory of Open Access Journals (Sweden)

    Eric Frick

    2018-04-01

    Full Text Available The biomechanical models used to refine and stabilize motion capture processes are almost invariably driven by joint center estimates, and any errors in joint center calculation carry over and can be compounded when calculating joint kinematics. Unfortunately, accurate determination of joint centers is a complex task, primarily due to measurements being contaminated by soft-tissue artifact (STA. This paper proposes a novel approach to joint center estimation implemented via sequential application of single-frame optimization (SFO. First, the method minimizes the variance of individual time frames’ joint center estimations via the developed variance minimization method to obtain accurate overall initial conditions. These initial conditions are used to stabilize an optimization-based linearization of human motion that determines a time-varying joint center estimation. In this manner, the complex and nonlinear behavior of human motion contaminated by STA can be captured as a continuous series of unique rigid-body realizations without requiring a complex analytical model to describe the behavior of STA. This article intends to offer proof of concept, and the presented method must be further developed before it can be reasonably applied to human motion. Numerical simulations were introduced to verify and substantiate the efficacy of the proposed methodology. When directly compared with a state-of-the-art inertial method, SFO reduced the error due to soft-tissue artifact in all cases by more than 45%. Instead of producing a single vector value to describe the joint center location during a motion capture trial as existing methods often do, the proposed method produced time-varying solutions that were highly correlated (r > 0.82 with the true, time-varying joint center solution.

  19. Computational simulation of flow and heat transfer in single-phase natural circulation loops

    International Nuclear Information System (INIS)

    Pinheiro, Larissa Cunha

    2017-01-01

    Passive decay heat removal systems based on natural circulation are essential assets for the new Gen III+ nuclear power reactors and nuclear spent fuel pools. The aim of the present work is to study both laminar and turbulent flow and heat transfer in single-phase natural circulation systems through computational fluid dynamics simulations. The working fluid is considered to be incompressible with constant properties. In the way, the Boussinesq Natural Convection Hypothesis was applied. The model chosen for the turbulence closure problem was the k -- εThe commercial computational fluid dynamics code ANSYS CFX 15.0 was used to obtain the numerical solution of the governing equations. Two single-phase natural circulation circuits were studied, a 2D toroidal loop and a 3D rectangular loop, both with the same boundary conditions of: prescribed heat flux at the heater and fixed wall temperature at the cooler. The validation and verification was performed with the numerical data provided by DESRAYAUD et al. [1] and the experimental data provided by MISALE et al. [2] and KUMAR et al. [3]. An excellent agreement between the Reynolds number (Re) and the modified Grashof number (Gr_m), independently of Prandtl Pr number was observed. However, the convergence interval was observed to be variable with Pr, thus indicating that Pr is a stability governing parameter for natural circulation. Multiple steady states was obtained for Pr = 0,7. Finally, the effect of inclination was studied for the 3D circuit, both in-plane and out-of-plane inclinations were verified for the steady state laminar regime. As a conclusion, the Re for the out-of-plane inclination was in perfect agreement with the correlation found for the zero inclination system, while for the in-plane inclined system the results differ from that of the corresponding vertical loop. (author)

  20. Molecular-dynamic simulations of the thermophysical properties of hexanitrohexaazaisowurtzitane single crystal at high pressures and temperatures

    Science.gov (United States)

    Kozlova, S. A.; Gubin, S. A.; Maklashova, I. V.; Selezenev, A. A.

    2017-11-01

    Molecular dynamic simulations of isothermal compression parameters are performed for a hexanitrohexaazaisowurtzitane single crystal (C6H6O12N12) using a modified ReaxFF-log reactive force field. It is shown that the pressure-compression ratio curve for a single C6H6O12N12 crystal at constant temperature T = 300 K in pressure range P = 0.05-40 GPa is in satisfactory agreement with experimental compression isotherms obtained for a single C6H6O12N12 crystal. Hugoniot molecular-dynamic simulations of the shock-wave hydrostatic compression of a single C6H6O12N12 crystal are performed. Along with Hugoniot temperature-pressure curves, calculated shock-wave pressure-compression ratios for a single C6H6O12N12 crystal are obtained for a wide pressure range of P = 1-40 GPa. It is established that the percussive adiabat obtained for a single C6H6O12N12 crystal is in a good agreement with the experimental data. All calculations are performed using a LAMMPS molecular dynamics simulation software package that provides a ReaxFF-lg reactive force field to support the approach.

  1. Two-dimensional single fluid MHD simulations of plasma opening switches

    International Nuclear Information System (INIS)

    Roderick, N.F.; Payne, S.S.; Peterkin, R.E. Jr.; Frese, M.H.; Hussey, T.W.

    1989-01-01

    Simulations of plasma opening switch have been made using two-dimensional, single fluid, magnetohydrodynamic codes HAM and MACH2. A variety of mechanisms for magnetic field penetration have been investigated. These include plasma convection, classical and microturbulent resistive diffusion, and Hall effect transport. We find that plasma microturbulent models are necessary to explain the broad current channels observed in experiments. Both heuristic and consistent microturbulent models are able to explain observed channel widths and penetration features. The best results are obtained for a consistent model that includes the Buneman, ion acoustic, and lower hybrid microturbulent collision frequencies and threshold conditions. Maximum microturbulent collision frequencies of 5 ω p , are typical. Field transport and current channel profiles are in excellent agreement with experimental observations for GAMBLE I, GAMBLE II, and SUPERMITE experiments. Dominant field penetration mechanisms and center of mass plasma motion are current and density dependent. Including the Hall effect enhanced field penetration. Center of mass motion is negligible for the GAMBLE I experiments but significant for the GAMBLE II conditions. Scaling of plasma opening time with switch length and density can be fit by linear representations for lengths from 0.03 m to 0.24 m and ion densities from 10 18 m -3 to 1.5 times 10 19 m -3 . 15 refs., 7 figs., 1 tab

  2. Modelling and numerical simulation of vortex induced vibrations of single cylinder or cylinder arrays

    International Nuclear Information System (INIS)

    Jus, Y.

    2011-01-01

    This research thesis fits into the frame of researches achieved in the nuclear field in order to optimize the predictive abilities of sizing models of nuclear plant components. It more precisely addresses the modelling of the action exerted by the flowing fluid and the induced feedback by the structure dynamics. The objective is herein to investigate the interaction between the turbulence at the wall vicinity and the effects of non-conservative and potentially destabilizing unsteady coupling. The peculiar case of a single cylinder in infinite environment, and submitted to a transverse flow, is studied statically and then dynamically. The influence of flow regimes on dynamic response is characterized, and the quantification of fluid-structure interaction energy is assessed. The author then addresses the case of an array of cylinders, and highlights the contribution of three-dimensional macro-simulations for the analysis of flow-induced structure vibrations in subcritical regime within a High Performance Calculation (HPC) framework, and the interest of a CFD/CSM (computational fluid dynamics/computational structure mechanics) coupling in the case of turbulent flows in an industrial environment

  3. Simulation of the single-vibronic-level emission spectrum of HPS.

    Science.gov (United States)

    Mok, Daniel K W; Lee, Edmond P F; Chau, Foo-tim; Dyke, John M

    2014-05-21

    We have computed the potential energy surfaces of the X¹A' and ùA" states of HPS using the explicitly correlated multi-reference configuration interaction (MRCI-F12) method, and Franck-Condon factors between the two states, which include anharmonicity and Duschinsky rotation, with the aim of testing the assignment of the recently reported single-vibronic-level (SVL) emission spectrum of HPS [R. Grimminger, D. J. Clouthier, R. Tarroni, Z. Wang, and T. J. Sears, J. Chem. Phys. 139, 174306 (2013)]. These are the highest level calculations on these states yet reported. It is concluded that our spectral simulation supports the assignments of the molecular carrier, the electronic states involved and the vibrational structure of the experimental laser induced fluorescence, and SVL emission spectra proposed by Grimminger et al. [J. Chem. Phys. 139, 174306 (2013)]. However, there remain questions unanswered regarding the relative electronic energies of the two states and the geometry of the excited state of HPS.

  4. Simulation study of a single-grip harvester in thinning from below and thinning from above

    Energy Technology Data Exchange (ETDEWEB)

    Eliasson, Lars [Swedish Univ. of Agricultural Sciences, Umeaa (Sweden). Dept. of Silviculture; Lageson, Haakan [Forest Owner' s Ass. of Norrbotten, Boden (Sweden)

    1999-07-01

    The time consumption and productivity of a single-grip harvester were studied, using a simulation model, when thinning from below and above in eight randomly selected stands. The model estimated the time required for each work element, given machine and tree positions, and tree size. A 2 x 5 factorial design was used with factors thinning type [from below (T{sub b}) and above (T{sub a})] and tree size. Trees were subjectively selected for harvest according to thinning type. Total basal area removal was 30% plot{sup -1}. Approximately 50% more trees were harvested in T{sub b} than in T{sub a}. Time consumption tree{sup -1} was higher for T{sub a} than T{sub b}. Time consumption for machine and boom movements decreased with increasing number of harvested trees, and time for felling and processing of trees increased with harvested mean stem volume. Harvester productivity was 36% higher for T{sub a}, since the increase in harvested mean stem volume was higher than the increase in time consumption tree{sup -1}.

  5. Simulation of the single-vibronic-level emission spectrum of HPS

    Energy Technology Data Exchange (ETDEWEB)

    Mok, Daniel K. W., E-mail: bcdaniel@polyu.edu.hk, E-mail: epl@soton.ac.uk; Chau, Foo-tim [Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University, Hung Hom (Hong Kong); Lee, Edmond P. F., E-mail: bcdaniel@polyu.edu.hk, E-mail: epl@soton.ac.uk [Department of Applied Biology and Chemical Technology, The Hong Kong Polytechnic University, Hung Hom (Hong Kong); School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom); Dyke, John M. [School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom)

    2014-05-21

    We have computed the potential energy surfaces of the X{sup ~1}A{sup ′} and A{sup ~1}A{sup ′′} states of HPS using the explicitly correlated multi-reference configuration interaction (MRCI-F12) method, and Franck–Condon factors between the two states, which include anharmonicity and Duschinsky rotation, with the aim of testing the assignment of the recently reported single-vibronic-level (SVL) emission spectrum of HPS [R. Grimminger, D. J. Clouthier, R. Tarroni, Z. Wang, and T. J. Sears, J. Chem. Phys. 139, 174306 (2013)]. These are the highest level calculations on these states yet reported. It is concluded that our spectral simulation supports the assignments of the molecular carrier, the electronic states involved and the vibrational structure of the experimental laser induced fluorescence, and SVL emission spectra proposed by Grimminger et al. [J. Chem. Phys. 139, 174306 (2013)]. However, there remain questions unanswered regarding the relative electronic energies of the two states and the geometry of the excited state of HPS.

  6. Simulation of the single-vibronic-level emission spectrum of HPS

    International Nuclear Information System (INIS)

    Mok, Daniel K. W.; Chau, Foo-tim; Lee, Edmond P. F.; Dyke, John M.

    2014-01-01

    We have computed the potential energy surfaces of the X ~1 A ′ and A ~1 A ′′ states of HPS using the explicitly correlated multi-reference configuration interaction (MRCI-F12) method, and Franck–Condon factors between the two states, which include anharmonicity and Duschinsky rotation, with the aim of testing the assignment of the recently reported single-vibronic-level (SVL) emission spectrum of HPS [R. Grimminger, D. J. Clouthier, R. Tarroni, Z. Wang, and T. J. Sears, J. Chem. Phys. 139, 174306 (2013)]. These are the highest level calculations on these states yet reported. It is concluded that our spectral simulation supports the assignments of the molecular carrier, the electronic states involved and the vibrational structure of the experimental laser induced fluorescence, and SVL emission spectra proposed by Grimminger et al. [J. Chem. Phys. 139, 174306 (2013)]. However, there remain questions unanswered regarding the relative electronic energies of the two states and the geometry of the excited state of HPS

  7. Applications Of Monte Carlo Radiation Transport Simulation Techniques For Predicting Single Event Effects In Microelectronics

    International Nuclear Information System (INIS)

    Warren, Kevin; Reed, Robert; Weller, Robert; Mendenhall, Marcus; Sierawski, Brian; Schrimpf, Ronald

    2011-01-01

    MRED (Monte Carlo Radiative Energy Deposition) is Vanderbilt University's Geant4 application for simulating radiation events in semiconductors. Geant4 is comprised of the best available computational physics models for the transport of radiation through matter. In addition to basic radiation transport physics contained in the Geant4 core, MRED has the capability to track energy loss in tetrahedral geometric objects, includes a cross section biasing and track weighting technique for variance reduction, and additional features relevant to semiconductor device applications. The crucial element of predicting Single Event Upset (SEU) parameters using radiation transport software is the creation of a dosimetry model that accurately approximates the net collected charge at transistor contacts as a function of deposited energy. The dosimetry technique described here is the multiple sensitive volume (MSV) model. It is shown to be a reasonable approximation of the charge collection process and its parameters can be calibrated to experimental measurements of SEU cross sections. The MSV model, within the framework of MRED, is examined for heavy ion and high-energy proton SEU measurements of a static random access memory.

  8. Molecular dynamics simulation of a DNA containing a single strand break

    Energy Technology Data Exchange (ETDEWEB)

    Yamaguchi, H.; Siebers, G.; Furukawa, A.; Otagiri, N.; Osman, R

    2002-07-01

    Molecular dynamics simulations were performed for a dodecamer DNA containing a single strand break (SSB), which has been represented by a 3'-OH deoxyribose and 5'-OH phosphate in the middle of the strand. Molecular force field parameters of the 5'-OH phosphate region were determined from an ab initio calculation at the HF/6-31G level using the program package GAMESS. The DNA was placed in a periodic boundary box with water molecules and Na+ counter-ions to produce a neutralised system. After minimisation, the system was heated to 300 K, equilibrated and a production run at constant NTP was executed for 1 ns using AMBER 4.1. Snapshots of the SSB-containing DNA and a detailed analysis of the equilibriated average structure revealed surprisingly small conformational changes compared to normal DNA. However, dynamic properties calculated using the essential dynamics method showed some features that may be important for the recognition of this damage by repair enzymes. (author)

  9. A coupled atomistics and discrete dislocation plasticity simulation of nanoindentation into single crystal thin films

    International Nuclear Information System (INIS)

    Miller, Ronald E.; Shilkrot, L.E.; Curtin, William A.

    2004-01-01

    The phenomenon of 2D nanoindentation of circular 'Brinell' indenter into a single crystal metal thin film bonded to a rigid substrate is investigated. The simulation method is the coupled atomistics and discrete dislocation (CADD) model recently developed by the authors. The CADD model couples a continuum region containing any number of discrete dislocations to an atomistic region, and permits accurate, automatic detection and passing of dislocations between the atomistic and continuum regions. The CADD model allows for a detailed study of nanoindentation to large penetration depths (up to 60 A here) using only a small region of atoms just underneath the indenter where dislocation nucleation, cross-slip, and annihilation occur. Indentation of a model hexagonal aluminum crystal shows: (i) the onset of homogeneous dislocation nucleation at points away from the points of maximum resolved shear stress; (ii) size-dependence of the material hardness, (iii) the role of dislocation dissociation on deformation; (iv) reverse plasticity, including nucleation of dislocations on unloading and annihilation; (v) permanent deformation, including surface uplift, after full unloading; (vi) the effects of film thickness on the load-displacement response; and (vii) the differences between displacement and force controlled loading. This application demonstrates the power of the CADD method in capturing both long-range dislocation plasticity and short-range atomistic phenomena. The use of CADD permits for a clear study of the physical and mechanical influence of both complex plastic flow and non-continuum atomistic-level processes on the macroscopic response of material under indentation loading

  10. Factorization properties and spurious solutions in N-body scattering theories

    International Nuclear Information System (INIS)

    Vanzani, V.

    1979-01-01

    The origin of spurious solutions in N-body scattering equations is discussed. It is shown that spurious solutions are expected because of specific factorization properties of the homogeneous equations. The equations proposed by Rosenberg, by Mitra, Gillespie, Sugar and Panchapakesan, by Takahashi and Mishima, by Alessandrini, by Sasakawa, by Sloan, Bencze and Redish, by Weinberg and van Winter and by Avishai are considered. It is explicitly shown that spurious multipliers arise from repeated employment of resolvent equations or, equiValently, from generalized iteration procedure

  11. S-matrix formulation of thermodynamics with N-body scatterings

    Energy Technology Data Exchange (ETDEWEB)

    Lo, Pok Man [University of Wroclaw, Institute of Theoretical Physics, Wroclaw (Poland); Extreme Matter Institute EMMI, GSI, Darmstadt (Germany)

    2017-08-15

    We apply a phase space expansion scheme to incorporate the N-body scattering processes in the S-matrix formulation of statistical mechanics. A generalized phase shift function suitable for studying the thermal contribution of N → N processes is motivated and examined in various models. Using the expansion scheme, we revisit how the hadron resonance gas model emerges from the S-matrix framework, and consider an example of structureless scattering in which the phase shift function can be exactly worked out. Finally we analyze the influence of dynamics on the phase shift function in a simple example of 3- and 4-body scattering. (orig.)

  12. Femtosecond laser irradiation of olivine single crystals: Experimental simulation of space weathering

    Science.gov (United States)

    Fazio, A.; Harries, D.; Matthäus, G.; Mutschke, H.; Nolte, S.; Langenhorst, F.

    2018-01-01

    Space weathering is one of the most common surface process occurring on atmosphere-free bodies such as asteroids and the Moon. It is caused mainly by solar wind irradiation and the impact of micrometeoroids. In order to simulate space weathering effects, in particular those produced by hypervelocity impacts, we produced microcraters via ultra-short (∼100 fs) laser irradiation of crystallographically oriented slices of forsterite-rich (Fo94.7) olivine. The main advantages of the application of a femtosecond laser radiation to reproduce the space weathering effects are (1) the high peak irradiance (1015 W cm-2), which generates the propagation of the shock wave at the nanosecond timescale (i.e., timescale of the micrometeoroid impacts); (2) the rapid transfer of energy to the target material, which avoids the interaction of laser light with the developing vapor plume; (3) a small laser beam, which allows the effects of a single impact to be simulated. The results of our spectroscopic and electron microscopic investigation validate this approach: the samples show strong darkening and reddening of the reflectance spectra and structural damages similar to the natural microcraters found on regolith grains of the Moon and asteroid 25143 Itokawa. Detailed investigations of several microcrater cross-sections by transmission electron microscopy allowed the detection of shock-induced defect microstructures. From the top to the bottom of the grain, the shock wave causes evaporation, melting, solid-state recrystallization, misorientation, fracturing, and the propagation of dislocations with Burgers vectors parallel to [001]. The formation of a short-lived vapor plume causes the kinetic fractionation of the gas and the preferential loss of lighter elements, mostly magnesium and oxygen. The high temperatures within the melt layer and the kinetic loss of oxygen promote the thermal reduction of iron and nickel, which leads to the formation of metallic nanoparticles (npFe0). The

  13. Numerical Simulations of Two-Phase Reacting Flow in a Single-Element Lean Direct Injection (LDI) Combustor Using NCC

    Science.gov (United States)

    Liu, Nan-Suey; Shih, Tsan-Hsing; Wey, C. Thomas

    2011-01-01

    A series of numerical simulations of Jet-A spray reacting flow in a single-element lean direct injection (LDI) combustor have been conducted by using the National Combustion Code (NCC). The simulations have been carried out using the time filtered Navier-Stokes (TFNS) approach ranging from the steady Reynolds-averaged Navier-Stokes (RANS), unsteady RANS (URANS), to the dynamic flow structure simulation (DFS). The sub-grid model employed for turbulent mixing and combustion includes the well-mixed model, the linear eddy mixing (LEM) model, and the filtered mass density function (FDF/PDF) model. The starting condition of the injected liquid spray is specified via empirical droplet size correlation, and a five-species single-step global reduced mechanism is employed for fuel chemistry. All the calculations use the same grid whose resolution is of the RANS type. Comparisons of results from various models are presented.

  14. Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources.

    Science.gov (United States)

    Tang, M X; Zhang, Y Y; E, J C; Luo, S N

    2018-05-01

    Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic-plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of the diffraction patterns is discussed.

  15. Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources

    Energy Technology Data Exchange (ETDEWEB)

    Tang, M. X.; Zhang, Y. Y.; E, J. C.; Luo, S. N.

    2018-04-24

    Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic–plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of the diffraction patterns is discussed.

  16. Numerical simulation on single bubble rising behavior in liquid metal using moving particle semi-implicit method

    International Nuclear Information System (INIS)

    Zuo Juanli; Tian Wenxi; Qiu Suizheng; Chen Ronghua; Su Guanghui

    2011-01-01

    The gas-lift pump in liquid metal cooling fast reactor (LMFR) is an innovational conceptual design to enhance the natural circulation ability of reactor core. The two-phase flow character of gas-liquid metal makes significant improvement of the natural circulation capacity and reactor safety. In present basic study, the rising behavior of a single nitrogen bubble in five kinds of liquid metals (lead bismuth alloy, liquid kalium, sodium, potassium sodium alloy and lithium lead alloy) was numerically simulated using moving particle semi-implicit (MPS) method. The whole growing process of single nitrogen bubble in liquid metal was captured. The bubble shape and rising speed of single nitrogen bubble in each liquid metal were compared. The comparison between simulation results using MPS method and Grace graphical correlation shows a good agreement. (authors)

  17. Steady state RANS simulations of temperature fluctuations in single phase turbulent mixing

    International Nuclear Information System (INIS)

    Kickhofel, J.; Fokken, J.; Kapulla, R.; Prasser, H. M.

    2012-01-01

    Single phase turbulent mixing in nuclear power plant circuits where a strong temperature gradient is present is known to precipitate pipe failure due to thermal fatigue. Experiments in a square mixing channel offer the opportunity to study the phenomenon under simple and easily reproducible boundary conditions. Measurements of this kind have been performed extensively at the Paul Scherrer Inst. in Switzerland with a high density of instrumentation in the Generic Mixing Experiment (GEMIX). As a fundamental mixing phenomena study closely related to the thermal fatigue problem, the experimental results from GEMIX are valuable for the validation of CFD codes striving to accurately simulate both the temperature and velocity fields in single phase turbulent mixing. In the experiments two iso-kinetic streams meet at a shallow angle of 3 degrees and mix in a straight channel of square cross-section under various degrees of density, temperature, and viscosity stratification over a range of Reynolds numbers ranging from 5*10 3 to 1*10 5 . Conductivity measurements, using wire-mesh and wall sensors, as well as optical measurements, using particle image velocimetry, were conducted with high temporal and spatial resolutions (up to 2.5 kHz and 1 mm in the case of the wire mesh sensor) in the mixing zone, downstream of a splitter plate. The present paper communicates the results of RANS modeling of selected GEMIX tests. Steady-state CFD calculations using a RANS turbulence model represent an inexpensive method for analyzing large and complex components in commercial nuclear reactors, such as the downcomer and reactor pressure vessel heads. Crucial to real world applicability, however, is the ability to model turbulent heat fluctuations in the flow; the Turbulent Heat Flux Transport model developed by ANSYS CFX is capable, by implementation of a transport equation for turbulent heat fluxes, of readily modeling these values. Furthermore, the closure of the turbulent heat flux

  18. Subsurface damage mechanism of high speed grinding process in single crystal silicon revealed by atomistic simulations

    International Nuclear Information System (INIS)

    Li, Jia; Fang, Qihong; Zhang, Liangchi; Liu, Youwen

    2015-01-01

    Highlights: • Molecular dynamic model of nanoscale high speed grinding of silicon workpiece has been established. • The effect of grinding speed on subsurface damage and grinding surface integrity by analyzing the chip, dislocation movement, and phase transformation during high speed grinding process are thoroughly investigated. • Subsurface damage is studied by the evolution of surface area at first time for more obvious observation on transition from ductile to brittle. • The hydrostatic stress and von Mises stress by the established analytical model are studied subsurface damage mechanism during nanoscale grinding. - Abstract: Three-dimensional molecular dynamics (MD) simulations are performed to investigate the nanoscale grinding process of single crystal silicon using diamond tool. The effect of grinding speed on subsurface damage and grinding surface integrity by analyzing the chip, dislocation movement, and phase transformation are studied. We also establish an analytical model to calculate several important stress fields including hydrostatic stress and von Mises stress for studying subsurface damage mechanism, and obtain the dislocation density on the grinding subsurface. The results show that a higher grinding velocity in machining brittle material silicon causes a larger chip and a higher temperature, and reduces subsurface damage. However, when grinding velocity is above 180 m s −1 , subsurface damage thickness slightly increases because a higher grinding speed leads to the increase in grinding force and temperature, which accelerate dislocation nucleation and motion. Subsurface damage is studied by the evolution of surface area at first time for more obvious observation on transition from ductile to brittle, that provides valuable reference for machining nanometer devices. The von Mises stress and the hydrostatic stress play an important role in the grinding process, and explain the subsurface damage though dislocation mechanism under high

  19. Using Simulation-Based Medical Education to Meet the Competency Requirements for the Single Accreditation System.

    Science.gov (United States)

    Riley, Bernadette

    2015-08-01

    Simulation-based medical education can provide medical training in a nonjudgmental, patient-safe, and effective environment. Although simulation has been a relatively new addition to medical education, the aeronautical, judicial, and military fields have used simulation training for hundreds of years, with positive outcomes. Simulation-based medical education can be used in a variety of settings, such as hospitals, outpatient clinics, medical schools, and simulation training centers. As the author describes in the present article, residencies currently accredited by the American Osteopathic Association can use a simulation-based medical education curriculum to meet training requirements of the 6 competencies identified by the Accreditation Council for Graduate Medical Education. The author also provides specific guidance on providing training and assessment in the professionalism competency.

  20. Using sea surface temperatures to improve performance of single dynamical downscaling model in flood simulation under climate change

    Science.gov (United States)

    Chao, Y.; Cheng, C. T.; Hsiao, Y. H.; Hsu, C. T.; Yeh, K. C.; Liu, P. L.

    2017-12-01

    There are 5.3 typhoons hit Taiwan per year on average in last decade. Typhoon Morakot in 2009, the most severe typhoon, causes huge damage in Taiwan, including 677 casualties and roughly NT 110 billion (3.3 billion USD) in economic loss. Some researches documented that typhoon frequency will decrease but increase in intensity in western North Pacific region. It is usually preferred to use high resolution dynamical model to get better projection of extreme events; because coarse resolution models cannot simulate intense extreme events. Under that consideration, dynamical downscaling climate data was chosen to describe typhoon satisfactorily, this research used the simulation data from AGCM of Meteorological Research Institute (MRI-AGCM). Considering dynamical downscaling methods consume massive computing power, and typhoon number is very limited in a single model simulation, using dynamical downscaling data could cause uncertainty in disaster risk assessment. In order to improve the problem, this research used four sea surfaces temperatures (SSTs) to increase the climate change scenarios under RCP 8.5. In this way, MRI-AGCMs project 191 extreme typhoons in Taiwan (when typhoon center touches 300 km sea area of Taiwan) in late 21th century. SOBEK, a two dimensions flood simulation model, was used to assess the flood risk under four SSTs climate change scenarios in Tainan, Taiwan. The results show the uncertainty of future flood risk assessment is significantly decreased in Tainan, Taiwan in late 21th century. Four SSTs could efficiently improve the problems of limited typhoon numbers in single model simulation.

  1. Numerical simulation of a cooling tower coupled with heat pump system associated with single house using TRNSYS

    International Nuclear Information System (INIS)

    Chargui, R.; Sammouda, H.; Farhat, A.

    2013-01-01

    Highlights: • We simulate a cooling tower coupled with heat pump system and a single zone using TRNSYS. • We examine the temperature of water inside the cooling tower and inside the single zone. • We study the temporal evolution of the all parameters for 4500 h operation in winter in Tunisia. - Abstract: The industrial cooling towers in Tunisia meet difficulties due to the poor coordination between the utility and process sectors. In this study, we will consider especially the vapor recovery of the wastewater from the industrial activity in south Tunisia. By using the heat pump for high capacity, the problem for vapor from wastewater may be resolved. The coupling for the cooling tower and the heat pump system is investigated by TRNSYS software. The system of cooling tower is also associated with a single zone which is related to heat exchangers. An optimization model for the operation of a cooling water system was developed that accounts for a cooling tower, and a network of pipelines and heat exchangers for heating a single house. This work is based on numerical studies; the cooling tower performance, the single house, the heat pump and the heat exchanger that are simulated using TRNSYS model. The circulation of cooling water system is assured by a counter flow. The evaluations of the cooling tower geometry and performances are based on an adaptive version of Merkel’s method witch integrated in TRNSYS. The results of optimization using TRNSYS are validated by several theoretical and experimental studies

  2. Equilibrium Solutions of the Logarithmic Hamiltonian Leapfrog for the N-body Problem

    Science.gov (United States)

    Minesaki, Yukitaka

    2018-04-01

    We prove that a second-order logarithmic Hamiltonian leapfrog for the classical general N-body problem (CGNBP) designed by Mikkola and Tanikawa and some higher-order logarithmic Hamiltonian methods based on symmetric multicompositions of the logarithmic algorithm exactly reproduce the orbits of elliptic relative equilibrium solutions in the original CGNBP. These methods are explicit symplectic methods. Before this proof, only some implicit discrete-time CGNBPs proposed by Minesaki had been analytically shown to trace the orbits of elliptic relative equilibrium solutions. The proof is therefore the first existence proof for explicit symplectic methods. Such logarithmic Hamiltonian methods with a variable time step can also precisely retain periodic orbits in the classical general three-body problem, which generic numerical methods with a constant time step cannot do.

  3. Unified connected theory of few-body reaction mechanisms in N-body scattering theory

    Science.gov (United States)

    Polyzou, W. N.; Redish, E. F.

    1978-01-01

    A unified treatment of different reaction mechanisms in nonrelativistic N-body scattering is presented. The theory is based on connected kernel integral equations that are expected to become compact for reasonable constraints on the potentials. The operators T/sub +-//sup ab/(A) are approximate transition operators that describe the scattering proceeding through an arbitrary reaction mechanism A. These operators are uniquely determined by a connected kernel equation and satisfy an optical theorem consistent with the choice of reaction mechanism. Connected kernel equations relating T/sub +-//sup ab/(A) to the full T/sub +-//sup ab/ allow correction of the approximate solutions for any ignored process to any order. This theory gives a unified treatment of all few-body reaction mechanisms with the same dynamic simplicity of a model calculation, but can include complicated reaction mechanisms involving overlapping configurations where it is difficult to formulate models.

  4. Introduction to Hamiltonian dynamical systems and the N-body problem

    CERN Document Server

    Meyer, Kenneth R

    2017-01-01

    This third edition text provides expanded material on the restricted three body problem and celestial mechanics. With each chapter containing new content, readers are provided with new material on reduction, orbifolds, and the regularization of the Kepler problem, all of which are provided with applications. The previous editions grew out of graduate level courses in mathematics, engineering, and physics given at several different universities. The courses took students who had some background in differential equations and lead them through a systematic grounding in the theory of Hamiltonian mechanics from a dynamical systems point of view. This text provides a mathematical structure of celestial mechanics ideal for beginners, and will be useful to graduate students and researchers alike. Reviews of the second edition: "The primary subject here is the basic theory of Hamiltonian differential equations studied from the perspective of differential dynamical systems. The N-body problem is used as the primary exa...

  5. A computer simulation of an adaptive noise canceler with a single input

    Science.gov (United States)

    Albert, Stuart D.

    1991-06-01

    A description of an adaptive noise canceler using Widrows' LMS algorithm is presented. A computer simulation of canceler performance (adaptive convergence time and frequency transfer function) was written for use as a design tool. The simulations, assumptions, and input parameters are described in detail. The simulation is used in a design example to predict the performance of an adaptive noise canceler in the simultaneous presence of both strong and weak narrow-band signals (a cosited frequency hopping radio scenario). On the basis of the simulation results, it is concluded that the simulation is suitable for use as an adaptive noise canceler design tool; i.e., it can be used to evaluate the effect of design parameter changes on canceler performance.

  6. Optically stimulated luminescence sensitivity changes in quartz due to repeated use in single aliquot readout: experiments and computer simulations

    International Nuclear Information System (INIS)

    McKeever, S.W.S.; Oklahoma State Univ., Stillwater, OK; Boetter-Jensen, L.; Agersnap Larsen, N.; Mejdahl, V.; Poolton, N.R.J.

    1996-01-01

    As part of a study to examine sensitivity changes in single aliquot techniques using optically stimulated luminescence (OSL) a series of experiments has been conducted with single aliquots of natural quartz, and the data compared with the results of computer simulations of the type of processes believed to be occurring. The computer model used includes both shallow and deep ('hard-to-bleach') traps, OSL ('easy-to-bleach') traps, and radiative and non-radiative recombination centres. The model has previously been used successfully to account for sensitivity changes in quartz due to thermal annealing. The simulations are able to reproduce qualitatively the main features of the experimental results including sensitivity changes as a function of re-use, and their dependence upon bleaching time and laboratory dose. The sensitivity changes are believed to be the result of a combination of shallow trap and deep trap effects. (author)

  7. Optically stimulated luminescence sensitivity changes in quartz due to repeated use in single aliquot readout: Experiments and computer simulations

    DEFF Research Database (Denmark)

    McKeever, S.W.S.; Bøtter-Jensen, L.; Agersnap Larsen, N.

    1996-01-01

    believed to be occurring. The computer model used includes both shallow and deep ('hard-to-bleach') traps, OSL ('easy-to-bleach') traps, and radiative and non-radiative recombination centres. The model has previously been used successfully to account for sensitivity changes in quartz due to thermal......As part of a study to examine sensitivity changes in single aliquot techniques using optically stimulated luminescence (OSL) a series of experiments has been conducted with single aliquots of natural quartz, and the data compared with the results of computer simulations of the type of processes...... annealing. The simulations are able to reproduce qualitatively the main features of the experimental results including sensitivity changes as a function of reuse, and their dependence upon bleaching time and laboratory dose. The sensitivity changes are believed to be the result of a combination of shallow...

  8. Patient-specific surgical simulator for the pre-operative planning of single-incision laparoscopic surgery with bimanual robots.

    Science.gov (United States)

    Turini, Giuseppe; Moglia, Andrea; Ferrari, Vincenzo; Ferrari, Mauro; Mosca, Franco

    2012-01-01

    The trend of surgical robotics is to follow the evolution of laparoscopy, which is now moving towards single-incision laparoscopic surgery. The main drawback of this approach is the limited maneuverability of the surgical tools. Promising solutions to improve the surgeon's dexterity are based on bimanual robots. However, since both robot arms are completely inserted into the patient's body, issues related to possible unwanted collisions with structures adjacent to the target organ may arise. This paper presents a simulator based on patient-specific data for the positioning and workspace evaluation of bimanual surgical robots in the pre-operative planning of single-incision laparoscopic surgery. The simulator, designed for the pre-operative planning of robotic laparoscopic interventions, was tested by five expert surgeons who evaluated its main functionalities and provided an overall rating for the system. The proposed system demonstrated good performance and usability, and was designed to integrate both present and future bimanual surgical robots.

  9. Single Wake Meandering, Advection and Expansion - An analysis using an adapted Pulsed Lidar and CFD LES-ACL simulations

    DEFF Research Database (Denmark)

    In this paper, single wake characteristics have been studied both experimentally and numerically. Firstly, the wake is studied experimentally using full-scale measurements from an adapted focused pulsed lidar system, which potentially gives more insight into the wake dynamics as compared to class...... using the EllipSys3D flow solver using Large Eddy Simulation (LES) and Actuator Line Technique (ACL) to model the rotor. Discrepancies due to the uncertainties on the wake advection velocity are observed and discussed....

  10. Single Wake Meandering, Advection and Expansion - An analysis using an adapted Pulsed Lidar and CFD LES-ACL simulations

    DEFF Research Database (Denmark)

    Machefaux, Ewan; Larsen, Gunner Chr.; Troldborg, Niels

    2013-01-01

    In this paper, single wake characteristics have been studied both experimentally and numerically. Firstly, the wake is studied experimentally using full-scale measurements from an adapted focused pulsed lidar system, which potentially gives more insight into the wake dynamics as compared to class...... using the EllipSys3D flow solver using Large Eddy Simulation (LES) and Actuator Line Technique (ACL) to model the rotor. Discrepancies due to the uncertainties on the wake advection velocity are observed and discussed....

  11. A small single-nozzle rainfall simulator to measure erosion response on different burn severities in southern British Columbia, Canada

    Science.gov (United States)

    Covert, Ashley; Jordan, Peter

    2010-05-01

    To study the effects of wildfire burn severity on runoff generation and soil erosion from high intensity rainfall, we constructed an effective yet simple rainfall simulator that was inexpensive, portable and easily operated by two people on steep, forested slopes in southern British Columbia, Canada. The entire apparatus, including simulator, pumps, hoses, collapsible water bladders and sample bottles, was designed to fit into a single full-sized pick-up truck. The three-legged simulator extended to approximately 3.3 metres above ground on steep slopes and used a single Spraying Systems 1/2HH-30WSQ nozzle which can easily be interchanged for other sized nozzles. Rainfall characteristics were measured using a digital camera which took images of the raindrops against a grid. Median drop size and velocity 5 cm above ground were measured and found to be 3/4 of the size of natural rain drops of that diameter class, and fell 7% faster than terminal velocity. The simulator was used for experiments on runoff and erosion on sites burned in 2007 by two wildfires in southern British Columbia. Simulations were repeated one and two years after the fires. Rainfall was simulated at an average rate of 67 mm hr-1 over a 1 m2 plot for 20 minutes. This rainfall rate is similar to the 100 year return period rainfall intensity for this duration at a nearby weather station. Simulations were conducted on five replicate 1 m2 plots in each experimental unit including high burn severity, moderate burn severity, unburned, and unburned with forest floor removed. During the simulation a sample was collected for 30 seconds every minute, with two additional samples until runoff ceased, resulting in 22 samples per simulation. Runoff, overland flow coefficient, infiltration and sediment yield were compared between treatments. Additional simulations were conducted immediately after a 2009 wildfire to test different mulch treatments. Typical results showed that runoff on plots with high burn

  12. Towards Controlled Single-Molecule Manipulation Using “Real-Time” Molecular Dynamics Simulation: A GPU Implementation

    Directory of Open Access Journals (Sweden)

    Dyon van Vreumingen

    2018-05-01

    Full Text Available Molecular electronics saw its birth with the idea to build electronic circuitry with single molecules as individual components. Even though commercial applications are still modest, it has served an important part in the study of fundamental physics at the scale of single atoms and molecules. It is now a routine procedure in many research groups around the world to connect a single molecule between two metallic leads. What is unknown is the nature of this coupling between the molecule and the leads. We have demonstrated recently (Tewari, 2018, Ph.D. Thesis our new setup based on a scanning tunneling microscope, which can be used to controllably manipulate single molecules and atomic chains. In this article, we will present the extension of our molecular dynamic simulator attached to this system for the manipulation of single molecules in real time using a graphics processing unit (GPU. This will not only aid in controlled lift-off of single molecules, but will also provide details about changes in the molecular conformations during the manipulation. This information could serve as important input for theoretical models and for bridging the gap between the theory and experiments.

  13. Experimental and simulation studies of neutron-induced single-event burnout in SiC power diodes

    Science.gov (United States)

    Shoji, Tomoyuki; Nishida, Shuichi; Hamada, Kimimori; Tadano, Hiroshi

    2014-01-01

    Neutron-induced single-event burnouts (SEBs) of silicon carbide (SiC) power diodes have been investigated by white neutron irradiation experiments and transient device simulations. It was confirmed that a rapid increase in lattice temperature leads to formation of crown-shaped aluminum and cracks inside the device owing to expansion stress when the maximum lattice temperature reaches the sublimation temperature. SEB device simulation indicated that the peak lattice temperature is located in the vicinity of the n-/n+ interface and anode contact, and that the positions correspond to a hammock-like electric field distribution caused by the space charge effect. Moreover, the locations of the simulated peak lattice temperature agree closely with the positions of the observed destruction traces. Furthermore, it was theoretically demonstrated that the period of temperature increase of a SiC power device is two orders of magnitude less than that of a Si power device, using a thermal diffusion equation.

  14. Stable Operation and Electricity Generating Characteristics of a Single-Cylinder Free Piston Engine Linear Generator: Simulation and Experiments

    Directory of Open Access Journals (Sweden)

    Huihua Feng

    2015-01-01

    Full Text Available We present a novel design of a single-cylinder free piston engine linear generator (FPELG incorporating a linear motor as a rebound device. A systematic simulation model of this FPELG system was built containing a kinematic and dynamic model of the piston and mover, a magneto-electric model of the linear generator, a thermodynamic model of the single-cylinder engine, and a friction model between the piston ring and cylinder liner. Simulations were performed to understand the relationships between pre-set motor parameters and the running performance of the FPELG. From the simulation results, it was found that a motor rebound force with a parabolic profile had clear advantages over a force with a triangular profile, such as a higher running frequency and peak cylinder pressure, faster piston motion, etc. The rebound position and the amplitude of rebound force were also determined by simulations. The energy conversion characteristics of the generator were obtained from our FPELG test rig. The parameters of intake pressure, motor frequency, and load resistance were varied over certain ranges, and relationships among these three parameters were obtained. The electricity-generating characteristic parameters include output power and system efficiency, which can measure the quality of matching the controllable parameters. The output power can reach 25.9 W and the system efficiency can reach 13.7%. The results in terms of matching parameters and electricity-generating characteristics should be useful to future research in adapting these engines to various operating modes.

  15. Precise predictions of H2O line shapes over a wide pressure range using simulations corrected by a single measurement

    Science.gov (United States)

    Ngo, N. H.; Nguyen, H. T.; Tran, H.

    2018-03-01

    In this work, we show that precise predictions of the shapes of H2O rovibrational lines broadened by N2, over a wide pressure range, can be made using simulations corrected by a single measurement. For that, we use the partially-correlated speed-dependent Keilson-Storer (pcsdKS) model whose parameters are deduced from molecular dynamics simulations and semi-classical calculations. This model takes into account the collision-induced velocity-changes effects, the speed dependences of the collisional line width and shift as well as the correlation between velocity and internal-state changes. For each considered transition, the model is corrected by using a parameter deduced from its broadening coefficient measured for a single pressure. The corrected-pcsdKS model is then used to simulate spectra for a wide pressure range. Direct comparisons of the corrected-pcsdKS calculated and measured spectra of 5 rovibrational lines of H2O for various pressures, from 0.1 to 1.2 atm, show very good agreements. Their maximum differences are in most cases well below 1%, much smaller than residuals obtained when fitting the measurements with the Voigt line shape. This shows that the present procedure can be used to predict H2O line shapes for various pressure conditions and thus the simulated spectra can be used to deduce the refined line-shape parameters to complete spectroscopic databases, in the absence of relevant experimental values.

  16. A development of simulation and analytical program for through-diffusion experiments for a single layer of diffusion media

    International Nuclear Information System (INIS)

    Sato, Haruo

    2001-01-01

    A program (TDROCK1. FOR) for simulation and analysis of through-diffusion experiments for a single layer of diffusion media was developed. This program was made by Pro-Fortran language, which was suitable for scientific and technical calculations, and relatively easy explicit difference method was adopted for an analysis. In the analysis, solute concentration in the tracer cell as a function of time that we could not treat to date can be input and the decrease in the solute concentration as a function of time by diffusion from the tracer cell to the measurement cell, the solute concentration distribution in the porewater of diffusion media and the solute concentration in the measurement cell as a function of time can be calculated. In addition, solution volume in both cells and diameter and thickness of the diffusion media are also variable as an input condition. This simulation program could well explain measured result by simulating solute concentration in the measurement cell as a function of time for case which apparent and effective diffusion coefficients were already known. Based on this, the availability and applicability of this program to actual analysis and simulation were confirmed. This report describes the theoretical treatment for the through-diffusion experiments for a single layer of diffusion media, analytical model, an example of source program and the manual. (author)

  17. Experimental study and numerical simulation of the plastic deformation of zirconium single crystals

    International Nuclear Information System (INIS)

    Lebon, C.

    2011-01-01

    There is only few experimental data in the literature on the zirconium single crystals and no constitutive laws for this single crystal material are provided. The goal of this work is then to create an experimental database like the Critical Resolved Shear Stress (CRSS) for the prismatic slip, the strain-hardening, the activation of the prismatic glide system and the activation volumes. We determine theses parameters from image correlation method. Then, we develop a new multi-scale approach using dislocations dynamics concept and finite element computations. Finally, a first single crystal constitutive law for the zirconium is proposed and a good agreement with the experimental data is obtained. (author) [fr

  18. Single asperity nanocontacts: Comparison between molecular dynamics simulations and continuum mechanics models

    NARCIS (Netherlands)

    Solhjoo, Soheil; Vakis, Antonis I.

    Abstract Using classical molecular dynamics, atomic scale simulations of normal contact between a nominally flat substrate and different atomistic and non-atomistic spherical particles were performed to investigate the applicability of classical contact theories at the nanoscale, and further

  19. Comparison of different sets of instruments for laparoendoscopic single-site surgery in a surgical simulator with novices.

    Science.gov (United States)

    Wang, Dong; Shi, Long-Qing; Wang, Jing-Min; Jiang, Xiao-Hua; Ji, Zhen-Ling

    2016-04-01

    Given the parallel entry of working instruments through a single incision in laparoendoscopic single-site surgery, loss of triangulation in the abdominal cavity and counteracting movements of the instruments are inevitable obstacles. Some specially designed devices have emerged to ameliorate these challenges. Twenty-four novice participants were randomized into four groups using assigned instruments, conventional straight instruments, single-curved instruments, double-curved instruments and articulating instruments, respectively, to perform two basic tasks (peg transferring and pattern cutting) 14 times in a modified simulator. A test of the tasks and a resection of the intestine segment of a rat were performed. The task scores and evaluation of intraoperative skills during the resection of the intestine segment were recorded. The instrument of modified National Aeronautics and Space Administration Task Load Index (NASA-TLX) was completed. The task scores of the groups using single-curved instruments and articulating instruments were better than the other two groups on the simulator tasks, consistent with the evaluation of intraoperative skills during the resection of intestine segment. As the proficiency with the instruments increased, the task scores improved, as demonstrated by the learning curve. The workload measured by the modified NASA-TLX tool demonstrated that the groups using articulating instruments and double-curved instruments had a heavier workload in most of the categories compared with the other two groups. Single-curved and articulating instruments are more effective than conventional straight and double-curved devices, and are favourable in laparoendoscopic single-site surgery for novice learners. © 2013 Royal Australasian College of Surgeons.

  20. Geometric characterization for the least Lagrangian action of n-body problems

    Institute of Scientific and Technical Information of China (English)

    ZHANG; Shiqing

    2001-01-01

    [1]Manev, G., La gravitation et l'énergie au zéro, Comptes Rendus, 924, 78: 259.[2]Diacu, F. N., Near-collision dynamics for particle systems with quasihomogeneous potentials, J. of Diff. Equ., 996, 28: 58.[3]Ambrosetti, A., Coti Zelati, V., Periodic Solutions of Singular Lagrangian Systems, Basel: Birkhuser, 993.[4]Arnold, V., Kozlov, V., Neishtadt, A., Dynamical Systems (iii): Mathematical Aspects of Classical and Celestial Mechanics, Berlin: Springer-Verlag, 988.[5]Chenciner, A., Desolneux, N., Minima de l'intégrale d'action et équilibres relatifs de n corps, C R Acad. Sci. Paris, serie I, 998, 326: 209.[6]Coti Zelati, V., The periodic solutions of n-body type problems, Ann IHP Anal nonlinéaire, 990, 7: 477.[7]Euler, L., De motu rectilineo trium corprum se mutuo attrahentium, Novi. Comm. Acad. Sci. Imp. Petropll, 767: 45.[8]Gordon, W., A minimizing property of Keplerian orbits, Amer. J. Math., 977, 99: 96.[9]Lagrange, J., Essai sur le problé me des trois corps, 772, Ouvres, 783, 3: 229.[10]Long, Y., Zhang, S. Q., Geometric characterization for variational minimization solutions of the 3-body problem, Chinese Science Bulletin, 999, 44(8): 653.[11]Long, Y., Zhang, S. Q., Geometric characterization for variational minimization solutions of the 3-body problem with fixed energy, J. of Diff. Equ., 2000, 60: 422.[12]Meyer, K., Hall, G., Introduction to Hamiltonian systems and the n-body problems, Berlin: Springer-Verlag,992.[13]Serra, E., Terracini, S., Collisionless periodic solutions to some three-body problems, Arch. Rational Mech. Anal., 992, 20: 305.[14]Siegle, C., Moser, J., Lectures on Celestial Mechanics, Berlin: Springer-Verlag, 97.[15]Wintner, A., Analytical Foundations of Celestial Mechanics, Princeton: Princeton University Press, 94.[16]Hardy, G., Littlewood, J., Pólya, G., Inequalities, 2nd ed., Cambridge: Combridge University Press, 952.

  1. An Evaluation of the Use of Simulated Annealing to Optimize Thinning Rates for Single Even-Aged Stands

    Directory of Open Access Journals (Sweden)

    Kai Moriguchi

    2015-01-01

    Full Text Available We evaluated the potential of simulated annealing as a reliable method for optimizing thinning rates for single even-aged stands. Four types of yield models were used as benchmark models to examine the algorithm’s versatility. Thinning rate, which was constrained to 0–50% every 5 years at stand ages of 10–45 years, was optimized to maximize the net present value for one fixed rotation term (50 years. The best parameters for the simulated annealing were chosen from 113 patterns, using the mean of the net present value from 39 runs to ensure the best performance. We compared the solutions with those from coarse full enumeration to evaluate the method’s reliability and with 39 runs of random search to evaluate its efficiency. In contrast to random search, the best run of simulated annealing for each of the four yield models resulted in a better solution than coarse full enumeration. However, variations in the objective function for two yield models obtained with simulated annealing were significantly larger than those of random search. In conclusion, simulated annealing with optimized parameters is more efficient for optimizing thinning rates than random search. However, it is necessary to execute multiple runs to obtain reliable solutions.

  2. Multi-resolution simulation of focused ultrasound propagation through ovine skull from a single-element transducer

    Science.gov (United States)

    Yoon, Kyungho; Lee, Wonhye; Croce, Phillip; Cammalleri, Amanda; Yoo, Seung-Schik

    2018-05-01

    Transcranial focused ultrasound (tFUS) is emerging as a non-invasive brain stimulation modality. Complicated interactions between acoustic pressure waves and osseous tissue introduce many challenges in the accurate targeting of an acoustic focus through the cranium. Image-guidance accompanied by a numerical simulation is desired to predict the intracranial acoustic propagation through the skull; however, such simulations typically demand heavy computation, which warrants an expedited processing method to provide on-site feedback for the user in guiding the acoustic focus to a particular brain region. In this paper, we present a multi-resolution simulation method based on the finite-difference time-domain formulation to model the transcranial propagation of acoustic waves from a single-element transducer (250 kHz). The multi-resolution approach improved computational efficiency by providing the flexibility in adjusting the spatial resolution. The simulation was also accelerated by utilizing parallelized computation through the graphic processing unit. To evaluate the accuracy of the method, we measured the actual acoustic fields through ex vivo sheep skulls with different sonication incident angles. The measured acoustic fields were compared to the simulation results in terms of focal location, dimensions, and pressure levels. The computational efficiency of the presented method was also assessed by comparing simulation speeds at various combinations of resolution grid settings. The multi-resolution grids consisting of 0.5 and 1.0 mm resolutions gave acceptable accuracy (under 3 mm in terms of focal position and dimension, less than 5% difference in peak pressure ratio) with a speed compatible with semi real-time user feedback (within 30 s). The proposed multi-resolution approach may serve as a novel tool for simulation-based guidance for tFUS applications.

  3. Single-asperity contributions to multi-asperity wear simulated with molecular dynamics

    International Nuclear Information System (INIS)

    Eder, S J; Cihak-Bayr, U; Bianchi, D

    2016-01-01

    We use a molecular dynamics approach to simulate the wear of a rough ferrite surface due to multiple hard, abrasive particles under variation of normal pressure, grinding direction, and particle geometry. By employing a clustering algorithm that incorporates some knowledge about the grinding process such as the main grinding direction, we can break down the total wear volume into contributions from the individual abrasive particles in a time-resolved fashion. The resulting analysis of the simulated grinding process allows statements on wear particle generation, distribution, and stability depending on the initial topography, the grinding angle, the normal pressure, as well as the abrasive shape and orientation with respect to the surface. (paper)

  4. Foundations for computer simulation of a low pressure oil flooded single screw air compressor

    Science.gov (United States)

    Bein, T. W.

    1981-12-01

    The necessary logic to construct a computer model to predict the performance of an oil flooded, single screw air compressor is developed. The geometric variables and relationships used to describe the general single screw mechanism are developed. The governing equations to describe the processes are developed from their primary relationships. The assumptions used in the development are also defined and justified. The computer model predicts the internal pressure, temperature, and flowrates through the leakage paths throughout the compression cycle of the single screw compressor. The model uses empirical external values as the basis for the internal predictions. The computer values are compared to the empirical values, and conclusions are drawn based on the results. Recommendations are made for future efforts to improve the computer model and to verify some of the conclusions that are drawn.

  5. Microcanonical thermodynamics and statistical fragmentation of dissipative systems. The topological structure of the N-body phase space

    Science.gov (United States)

    Gross, D. H. E.

    1997-01-01

    configurations. It is shown that the three basic quantities which specify a phase transition of first order - Transition temperature, latent heat, and interphase surface entropy - can be well determined for finite systems from the caloric equation of state T( E) in the coexistence region. Their values are already for a lattice of only ~ 30 ∗ 30 spins close to the ones of the corresponding infinite system. The significance of the backbending of the caloric equation of state T( E) is clarified. It is the signal for a phase transition of first order in a finite isolated system. (II) Fragmentation is shown to be a specific and generic phase transition of finite systems. The caloric equation of state T( E) for hot nuclei is calculated. The phase transition towards fragmentation can unambiguously be identified by the anomalies in T( E). As microcanonical thermodynamics is a full N-body theory it determines all many-body correlations as well. Consequently, various statistical multi-fragment correlations are investigated which give insight into the details of the equilibration mechanism. (III) Fragmentation of neutral and multiply charged atomic clusters is the next example of a realistic application of microcanonical thermodynamics. Our simulation method, microcanonical Metropolis Monte Carlo, combines the explicit microscopic treatment of the fragmentational degrees of freedom with the implicit treatment of the internal degrees of freedom of the fragments described by the experimental bulk specific heat. This micro-macro approach allows us to study the fragmentation of also larger fragments. Characteristic details of the fission of multiply charged metal clusters find their explanation by the different bulk properties. (IV) Finally, the fragmentation of strongly rotating nuclei is discussed as an example for a microcanonical ensemble under the action of a two-dimensional repulsive force.

  6. Phase-coexistence simulations of fluid mixtures by the Markov Chain Monte Carlo method using single-particle models

    KAUST Repository

    Li, Jun

    2013-09-01

    We present a single-particle Lennard-Jones (L-J) model for CO2 and N2. Simplified L-J models for other small polyatomic molecules can be obtained following the methodology described herein. The phase-coexistence diagrams of single-component systems computed using the proposed single-particle models for CO2 and N2 agree well with experimental data over a wide range of temperatures. These diagrams are computed using the Markov Chain Monte Carlo method based on the Gibbs-NVT ensemble. This good agreement validates the proposed simplified models. That is, with properly selected parameters, the single-particle models have similar accuracy in predicting gas-phase properties as more complex, state-of-the-art molecular models. To further test these single-particle models, three binary mixtures of CH4, CO2 and N2 are studied using a Gibbs-NPT ensemble. These results are compared against experimental data over a wide range of pressures. The single-particle model has similar accuracy in the gas phase as traditional models although its deviation in the liquid phase is greater. Since the single-particle model reduces the particle number and avoids the time-consuming Ewald summation used to evaluate Coulomb interactions, the proposed model improves the computational efficiency significantly, particularly in the case of high liquid density where the acceptance rate of the particle-swap trial move increases. We compare, at constant temperature and pressure, the Gibbs-NPT and Gibbs-NVT ensembles to analyze their performance differences and results consistency. As theoretically predicted, the agreement between the simulations implies that Gibbs-NVT can be used to validate Gibbs-NPT predictions when experimental data is not available. © 2013 Elsevier Inc.

  7. N-body quantum scattering theory in two Hilbert spaces. VII. Real-energy limits

    International Nuclear Information System (INIS)

    Chandler, C.; Gibson, A.G.

    1994-01-01

    A study is made of the real-energy limits of approximate solutions of the Chandler--Gibson equations, as well as the real-energy limits of the approximate equations themselves. It is proved that (1) the approximate time-independent transition operator T π (z) and an auxiliary operator M π (z), when restricted to finite energy intervals, are trace class operators and have limits in trace norm for almost all values of the real energy; (2) the basic dynamical equation that determines the operator M π (z), when restricted to the space of trace class operators, has a real-energy limit in trace norm for almost all values of the real energy; (3) the real-energy limit of M π (z) is a solution of the real-energy limit equation; (4) the diagonal (on-shell) elements of the kernels of the real-energy limit of T π (z) and of all solutions of the real-energy limit equation exactly equal the on-shell transition operator, implying that the real-energy limit equation uniquely determines the physical transition amplitude; and (5) a sequence of approximate on-shell transition operators converges strongly to the exact on-shell transition operator. These mathematically rigorous results are believed to be the most general of their type for nonrelativistic N-body quantum scattering theories

  8. Communication Reducing Algorithms for Distributed Hierarchical N-Body Problems with Boundary Distributions

    KAUST Repository

    AbdulJabbar, Mustafa Abdulmajeed

    2017-05-11

    Reduction of communication and efficient partitioning are key issues for achieving scalability in hierarchical N-Body algorithms like Fast Multipole Method (FMM). In the present work, we propose three independent strategies to improve partitioning and reduce communication. First, we show that the conventional wisdom of using space-filling curve partitioning may not work well for boundary integral problems, which constitute a significant portion of FMM’s application user base. We propose an alternative method that modifies orthogonal recursive bisection to relieve the cell-partition misalignment that has kept it from scaling previously. Secondly, we optimize the granularity of communication to find the optimal balance between a bulk-synchronous collective communication of the local essential tree and an RDMA per task per cell. Finally, we take the dynamic sparse data exchange proposed by Hoefler et al. [1] and extend it to a hierarchical sparse data exchange, which is demonstrated at scale to be faster than the MPI library’s MPI_Alltoallv that is commonly used.

  9. Optimal order and time-step criterion for Aarseth-type N-body integrators

    International Nuclear Information System (INIS)

    Makino, Junichiro

    1991-01-01

    How the selection of the time-step criterion and the order of the integrator change the efficiency of Aarseth-type N-body integrators is discussed. An alternative to Aarseth's scheme based on the direct calculation of the time derivative of the force using the Hermite interpolation is compared to Aarseth's scheme, which uses the Newton interpolation to construct the predictor and corrector. How the number of particles in the system changes the behavior of integrators is examined. The Hermite scheme allows a time step twice as large as that for the standard Aarseth scheme for the same accuracy. The calculation cost of the Hermite scheme per time step is roughly twice as much as that of the standard Aarseth scheme. The optimal order of the integrators depends on both the particle number and the accuracy required. The time-step criterion of the standard Aarseth scheme is found to be inapplicable to higher-order integrators, and a more uniformly reliable criterion is proposed. 18 refs

  10. A complete basis for a perturbation expansion of the general N-body problem

    International Nuclear Information System (INIS)

    Laing, W Blake; Kelle, David W; Dunn, Martin; Watson, Deborah K

    2009-01-01

    We discuss a basis set developed to calculate perturbation coefficients in an expansion of the general N-body problem. This basis has two advantages. First, the basis is complete order-by-order for the perturbation series. Second, the number of independent basis tensors spanning the space for a given order does not scale with N, the number of particles, despite the generality of the problem. At first order, the number of basis tensors is 25 for all N, i.e. the problem scales as N 0 , although one would initially expect an N 6 scaling at first order. The perturbation series is expanded in inverse powers of the spatial dimension. This results in a maximally symmetric configuration at lowest order which has a point group isomorphic with the symmetric group, S N . The resulting perturbation series is order-by-order invariant under the N! operations of the S N point group which is responsible for the slower than exponential growth of the basis. In this paper, we demonstrate the completeness of the basis and perform the first test of this formalism through first order by comparing to an exactly solvable fully interacting problem of N particles with a two-body harmonic interaction potential

  11. Studies of Planet Formation using a Hybrid N-body + Planetesimal Code

    Science.gov (United States)

    Kenyon, Scott J.; Bromley, Benjamin C.; Salamon, Michael (Technical Monitor)

    2005-01-01

    The goal of our proposal was to use a hybrid multi-annulus planetesimal/n-body code to examine the planetesimal theory, one of the two main theories of planet formation. We developed this code to follow the evolution of numerous 1 m to 1 km planetesimals as they collide, merge, and grow into full-fledged planets. Our goal was to apply the code to several well-posed, topical problems in planet formation and to derive observational consequences of the models. We planned to construct detailed models to address two fundamental issues: 1) icy planets - models for icy planet formation will demonstrate how the physical properties of debris disks, including the Kuiper Belt in our solar system, depend on initial conditions and input physics; and 2) terrestrial planets - calculations following the evolution of 1-10 km planetesimals into Earth-mass planets and rings of dust will provide a better understanding of how terrestrial planets form and interact with their environment. During the past year, we made progress on each issue. Papers published in 2004 are summarized. Summaries of work to be completed during the first half of 2005 and work planned for the second half of 2005 are included.

  12. Numerical simulations of single and multi-staged injection of H2 in a supersonic scramjet combustor

    Directory of Open Access Journals (Sweden)

    L. Abu-Farah

    2014-12-01

    Full Text Available Computational fluid dynamics (CFD simulations of a single staged injection of H2 through a central wedge shaped strut and a multi-staged injection through wall injectors are carried out by using Ansys CFX-12 code. Unstructured tetrahedral grids for narrow channel and quarter geometries of the combustor are generated by using ICEM CFD. Steady three-dimensional (3D Reynolds-averaged Navier-stokes (RANS simulations are carried out in the case of no H2 injection and compared with the simulations of single staged pilot and/or main H2 injections and multistage injection. Shear stress transport (SST based on k-ω turbulent model is adopted. Flow field visualization (complex shock waves interactions and static pressure distribution along the wall of the combustor are predicted and compared with the experimental schlieren images and measured wall static pressures for validation. A good agreement is found between the CFD predicted results and the measured data. The narrow and quarter geometries of the combustor give similar results with very small differences. Multi-staged injections of H2 enhance the turbulent H2/air mixing by forming vortices and additional shock waves (bow shocks.

  13. Simulation model of a single-server order picking workstation using aggregate process times

    NARCIS (Netherlands)

    Andriansyah, R.; Etman, L.F.P.; Rooda, J.E.; Biles, W.E.; Saltelli, A.; Dini, C.

    2009-01-01

    In this paper we propose a simulation modeling approach based on aggregate process times for the performance analysis of order picking workstations in automated warehouses with first-in-first-out processing of orders. The aggregate process time distribution is calculated from tote arrival and

  14. Explicit Singly Diagonally Implicit Runge-Kutta Methods and Adaptive Stepsize Control for Reservoir Simulation

    DEFF Research Database (Denmark)

    Völcker, Carsten; Jørgensen, John Bagterp; Thomsen, Per Grove

    2010-01-01

    The implicit Euler method, normally refered to as the fully implicit (FIM) method, and the implicit pressure explicit saturation (IMPES) method are the traditional choices for temporal discretization in reservoir simulation. The FIM method offers unconditionally stability in the sense of discrete......-Kutta methods, ESDIRK, Newton-Raphson, convergence control, error control, stepsize selection....

  15. Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales.

    Science.gov (United States)

    Mukherjee, Biswaroop; Peter, Christine; Kremer, Kurt

    2017-09-21

    Understanding the connections between the characteristic dynamical time scales associated with a coarse-grained (CG) and a detailed representation is central to the applicability of the coarse-graining methods to understand molecular processes. The process of coarse graining leads to an accelerated dynamics, owing to the smoothening of the underlying free-energy landscapes. Often a single time-mapping factor is used to relate the time scales associated with the two representations. We critically examine this idea using a model system ideally suited for this purpose. Single molecular transport properties are studied via molecular dynamics simulations of the CG and atomistic representations of a liquid crystalline, azobenzene containing mesogen, simulated in the smectic and the isotropic phases. The out-of-plane dynamics in the smectic phase occurs via molecular hops from one smectic layer to the next. Hopping can occur via two mechanisms, with and without significant reorientation. The out-of-plane transport can be understood as a superposition of two (one associated with each mode of transport) independent continuous time random walks for which a single time-mapping factor would be rather inadequate. A comparison of the free-energy surfaces, relevant to the out-of-plane transport, qualitatively supports the above observations. Thus, this work underlines the need for building CG models that exhibit both structural and dynamical consistency to the underlying atomistic model.

  16. Computational and empirical simulations of selective memory impairments: Converging evidence for a single-system account of memory dissociations.

    Science.gov (United States)

    Curtis, Evan T; Jamieson, Randall K

    2018-04-01

    Current theory has divided memory into multiple systems, resulting in a fractionated account of human behaviour. By an alternative perspective, memory is a single system. However, debate over the details of different single-system theories has overshadowed the converging agreement among them, slowing the reunification of memory. Evidence in favour of dividing memory often takes the form of dissociations observed in amnesia, where amnesic patients are impaired on some memory tasks but not others. The dissociations are taken as evidence for separate explicit and implicit memory systems. We argue against this perspective. We simulate two key dissociations between classification and recognition in a computational model of memory, A Theory of Nonanalytic Association. We assume that amnesia reflects a quantitative difference in the quality of encoding. We also present empirical evidence that replicates the dissociations in healthy participants, simulating amnesic behaviour by reducing study time. In both analyses, we successfully reproduce the dissociations. We integrate our computational and empirical successes with the success of alternative models and manipulations and argue that our demonstrations, taken in concert with similar demonstrations with similar models, provide converging evidence for a more general set of single-system analyses that support the conclusion that a wide variety of memory phenomena can be explained by a unified and coherent set of principles.

  17. Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales

    Science.gov (United States)

    Mukherjee, Biswaroop; Peter, Christine; Kremer, Kurt

    2017-09-01

    Understanding the connections between the characteristic dynamical time scales associated with a coarse-grained (CG) and a detailed representation is central to the applicability of the coarse-graining methods to understand molecular processes. The process of coarse graining leads to an accelerated dynamics, owing to the smoothening of the underlying free-energy landscapes. Often a single time-mapping factor is used to relate the time scales associated with the two representations. We critically examine this idea using a model system ideally suited for this purpose. Single molecular transport properties are studied via molecular dynamics simulations of the CG and atomistic representations of a liquid crystalline, azobenzene containing mesogen, simulated in the smectic and the isotropic phases. The out-of-plane dynamics in the smectic phase occurs via molecular hops from one smectic layer to the next. Hopping can occur via two mechanisms, with and without significant reorientation. The out-of-plane transport can be understood as a superposition of two (one associated with each mode of transport) independent continuous time random walks for which a single time-mapping factor would be rather inadequate. A comparison of the free-energy surfaces, relevant to the out-of-plane transport, qualitatively supports the above observations. Thus, this work underlines the need for building CG models that exhibit both structural and dynamical consistency to the underlying atomistic model.

  18. Analytical solution and numerical simulation of the liquid nitrogen freezing-temperature field of a single pipe

    Science.gov (United States)

    Cai, Haibing; Xu, Liuxun; Yang, Yugui; Li, Longqi

    2018-05-01

    Artificial liquid nitrogen freezing technology is widely used in urban underground engineering due to its technical advantages, such as simple freezing system, high freezing speed, low freezing temperature, high strength of frozen soil, and absence of pollution. However, technical difficulties such as undefined range of liquid nitrogen freezing and thickness of frozen wall gradually emerge during the application process. Thus, the analytical solution of the freezing-temperature field of a single pipe is established considering the freezing temperature of soil and the constant temperature of freezing pipe wall. This solution is then applied in a liquid nitrogen freezing project. Calculation results show that the radius of freezing front of liquid nitrogen is proportional to the square root of freezing time. The radius of the freezing front also decreases with decreased the freezing temperature, and the temperature gradient of soil decreases with increased distance from the freezing pipe. The radius of cooling zone in the unfrozen area is approximately four times the radius of the freezing front. Meanwhile, the numerical simulation of the liquid nitrogen freezing-temperature field of a single pipe is conducted using the Abaqus finite-element program. Results show that the numerical simulation of soil temperature distribution law well agrees with the analytical solution, further verifies the reliability of the established analytical solution of the liquid nitrogen freezing-temperature field of a single pipe.

  19. Single-Column Model Simulations of Subtropical Marine Boundary-Layer Cloud Transitions Under Weakening Inversions

    NARCIS (Netherlands)

    Neggers, R.A.J.; Ackerman, Andrew S.; Angevine, W. M.; Bazile, Eric; Beau, I.; Blossey, P. N.; Boutle, I. A.; de Bruijn, C.; cheng, A; van der Dussen, J.J.; Fletcher, J.; Dal Gesso, S.; Jam, A.; Kawai, H; Cheedela, S. K.; Larson, V. E.; Lefebvre, Marie Pierre; Lock, A. P.; Meyer, N. R.; de Roode, S.R.; de Rooy, WC; Sandu, I; Xiao, H; Xu, K. M.

    2017-01-01

    Results are presented of the GASS/EUCLIPSE single-column model intercomparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate models for this cloud regime, using

  20. Simulation of a quantum NOT gate for a single qutrit system

    Indian Academy of Sciences (India)

    In order to achieve a quantum NOT gate for a single qutrit, the respective Schrödinger equation is solved numerically within a two-photon rotating wave approximation. For small values of one-photon detuning, there appear decoherence effects. Meanwhile, for large values of onephoton detuning, an ideal quantum NOT gate ...

  1. Modelling and simulation of multiple single - phase induction motor in parallel connection

    Directory of Open Access Journals (Sweden)

    Sujitjorn, S.

    2006-11-01

    Full Text Available A mathematical model for parallel connected n-multiple single-phase induction motors in generalized state-space form is proposed in this paper. The motor group draws electric power from one inverter. The model is developed by the dq-frame theory and was tested against four loading scenarios in which satisfactory results were obtained.

  2. Simulating double-peak hydrographs from single storms over mixed-use watersheds

    Science.gov (United States)

    Yang Yang; Theodore A. Endreny; David J. Nowak

    2015-01-01

    Two-peak hydrographs after a single rain event are observed in watersheds and storms with distinct volumes contributing as fast and slow runoff. The authors developed a hydrograph model able to quantify these separate runoff volumes to help in estimation of runoff processes and residence times used by watershed managers. The model uses parallel application of two...

  3. Simulation study on single family house with solar floor and domestic hot water heating system by EESLISM; EESLISM ni yoru taiyonetsu danbo kyuto jutaku no simulation

    Energy Technology Data Exchange (ETDEWEB)

    Roh, H; Udagawa, M [Kogakuin University, Tokyo (Japan)

    1997-11-25

    Indoor thermal conditions and energy performance were simulated, by the aid of EESLISM as a common simulation program for indoor thermal conditions and energy systems, for an actual two-storied single family house equipped with solar-heated floors and a domestic hot water (DHW) heating system, in order to investigate applicability of the simulation program. The house, built in Shibuya Ward in Tokyo, has a total floor area of 164m{sup 2}, with a living room, dining room and study heated by the solar system for a total floor area of 35m{sup 2}. A heat-storage tank is provided, dedicated to the DHW system. The solar collector is of flat type, with selectively light-absorbing planes, having a total collector area of 11.46m{sup 2}. The operating conditions of the floor-heating and DHW systems are almost reproduced. It is necessary to take surrounding conditions into consideration; solar radiation in daytime will be overestimated if adjacent buildings are neglected to give higher temperature in the space and on the wall on the south than the observed level. 6 refs., 5 figs., 1 tab.

  4. Simulations

    CERN Document Server

    Ngada, Narcisse

    2015-06-15

    The complexity and cost of building and running high-power electrical systems make the use of simulations unavoidable. The simulations available today provide great understanding about how systems really operate. This paper helps the reader to gain an insight into simulation in the field of power converters for particle accelerators. Starting with the definition and basic principles of simulation, two simulation types, as well as their leading tools, are presented: analog and numerical simulations. Some practical applications of each simulation type are also considered. The final conclusion then summarizes the main important items to keep in mind before opting for a simulation tool or before performing a simulation.

  5. Site characterization and validation - equipment design and techniques used in single borehole hydraulic testing, simulated drift experiment and crosshole testing

    International Nuclear Information System (INIS)

    Holmes, D.C.; Sehlstedt, M.

    1991-10-01

    This report describes the equipment and techniques used to investigate the variation of hydrogeological parameters within a fractured crystalline rock mass. The testing program was performed during stage 3 of the site characterization and validation programme at the Stripa mine in Sweden. This programme used a multidisciplinary approach, combining geophysical, geological and hydrogeological methods, to determine how groundwater moved through the rock mass. The hydrogeological work package involved three components. Firstly, novel single borehole techniques (focused packer testing) were used to determine the distribution of hydraulic conductivity and head along individual boreholes. Secondly, water was abstracted from boreholes which were drilled to simulate a tunnel (simulated drift experiment). Locations and magnitudes of flows were measured together with pressure responses at various points in the SCV rock mass. Thirdly, small scale crosshole tests, involving detailed interference testing, were used to determine the variability of hydrogeological parameters within previously identified, significant flow zones. (au)

  6. Nuclear data relevant to single-event upsets (SEU) in microelectronics and their application to SEU simulation

    International Nuclear Information System (INIS)

    Watanabe, Yukinobu; Tukamoto, Yasuyuki; Kodama, Akihiro; Nakashima, Hideki

    2004-01-01

    A cross-section database for neutron-induced reactions on 28 Si was developed in the energy range between 2 MeV and 3 GeV in order to analyze single-event upsets (SEUs) phenomena induced by cosmic-ray neutrons in microelectronic devices. A simplified spherical device model was proposed for simulation of the initial process of SEUs. The model was applied to SEU cross-section calculations for semiconductor memory devices. The calculated results were compared with measured SEU cross-sections and the other simulation result. The dependence of SEU cross-sections on incident neutron energy and secondary ions having the most important effects on SEUs are discussed. (author)

  7. Quantifying the number of color centers in single fluorescent nanodiamonds by photon correlation spectroscopy and Monte Carlo simulation

    International Nuclear Information System (INIS)

    Hui, Y.Y.; Chang, Y.-R.; Lee, H.-Y.; Chang, H.-C.; Lim, T.-S.; Fann Wunshain

    2009-01-01

    The number of negatively charged nitrogen-vacancy centers (N-V) - in fluorescent nanodiamond (FND) has been determined by photon correlation spectroscopy and Monte Carlo simulations at the single particle level. By taking account of the random dipole orientation of the multiple (N-V) - fluorophores and simulating the probability distribution of their effective numbers (N e ), we found that the actual number (N a ) of the fluorophores is in linear correlation with N e , with correction factors of 1.8 and 1.2 in measurements using linearly and circularly polarized lights, respectively. We determined N a =8±1 for 28 nm FND particles prepared by 3 MeV proton irradiation

  8. EDUCATIONAL COMPUTER SIMULATION EXPERIMENT «REAL-TIME SINGLE-MOLECULE IMAGING OF QUANTUM INTERFERENCE»

    Directory of Open Access Journals (Sweden)

    Alexander V. Baranov

    2015-01-01

    Full Text Available Taking part in the organized project activities students of the technical University create virtual physics laboratories. The article gives an example of the student’s project-computer modeling and visualization one of the most wonderful manifestations of reality-quantum interference of particles. The real experiment with heavy organic fluorescent molecules is used as a prototype for this computer simulation. The student’s software product can be used in informational space of the system of open education.

  9. Experiment and Simulation Study of Single Cylinder Diesel Engine Performance, Using Soybean Oil Biodiesel

    Directory of Open Access Journals (Sweden)

    Muhammad Rizqi Ariefianto

    2017-01-01

    Full Text Available Abstract— The most common fuel uses in the world is made from fossil. Fossil fuel is categorized as a non-renewable energy source. For that reason, there should be an alternative fuel to replace fossil fuel by using biodiesel and one of the stock comes from soybean bean. Before using the biodiesel made from soybean bean oil, there should be a research to find out the properties and the effect of biodiesel from soybean bean oil regarding the performance of the engine. The research can be conducted in experiment and simulation. The properties result of soybean oil biodiesel should be tested to confirm whether this biodiesel have meet the standard requirement of biodieselor not. This biodiesel sproperties are Flash Point value is 182 o C , Pour Point value is -7 o C, Density at 15 o C is 890 Kg/m3, Kinematic Viscosity at 40 o C is 5.58 (cSt, and Lower Heating Value is 42.27686 MJ/kg. The result from this research is the highest power from simulation is 9% higher than the experiment. The highest torque from the experiment is 37% lower than the simulation’s torque. Lowest SFOC from experiment is  28% lower than the simulation’s SFOC. Highest BMEP from simulation is 20% higher than the highest BMEP from experiment. The  highest thermal efficiency from experiment is 6% higher than the highest thermal efficiency from simulation. The engine performance result using soybean oil biodiesel is not better than the Pertamina Dex. For that reason, the use of this biodiesel is not suggested to substitute Pertamina Dex.

  10. High Resolution Numerical Simulations of Primary Atomization in Diesel Sprays with Single Component Reference Fuels

    Science.gov (United States)

    2015-09-01

    NC. 14. ABSTRACT A high-resolution numerical simulation of jet breakup and spray formation from a complex diesel fuel injector at diesel engine... diesel fuel injector at diesel engine type conditions has been performed. A full understanding of the primary atomization process in diesel fuel... diesel liquid sprays the complexity is further compounded by the physical attributes present including nozzle turbulence, large density ratios

  11. Simulation, Experimental and Analitical Study of Deflection at End Curved Beam Affected by Single Concentrated Load

    Directory of Open Access Journals (Sweden)

    Dewa Ngakan Ketut Putra Negara

    2012-11-01

    Full Text Available Deflection has an important role in order to design structure or machine component, beside consideration of stresscalculation. This is due to although stress is still smaller then stress allowed by material strength, but probably happen thatdeflection exceeds limit allowed. That condition affects serious hazard on machine elements or structure due to it can affectof component deviate from its main function. One of element which is often experience of deflection is beam. Beams playsignificant roles in many engineering applications, including buildings, bridges, automobiles, and airplane structures. In thisresearch, material to be used was Steel ASTM 1060, with specimen in the form of curved beam. Physical condition of beamwas modeled use of BEAM3 2D. Variation of loads to be applied were W = 100, 150, 200, 250, 300, 350, 400, 450, 500, and550 gr in vertical direction. The result of simulation was verificated by analytical and experimental data. Evaluation wascarried out by statistical test (t-test. The result of simulation is categorized to be good if the result of simulation is samewith analytical and experimental data. The result of research shows that loading has a significant effect on the deflection.The higher load affect the higher of deflection Modeling use of BEAM3 2D gave good result of deflection. This is showedfrom t-test have done, where the result of simulation was same with analytical and experimental data. Other advantage ofsimulation was deflection result obtained was not limited only at the end of beam, but it can predict of deflection at eachnode or point desired

  12. Numerical simulation on flow field of nuclear safety grade 2 single-seat pneumatic diaphragm control valve

    International Nuclear Information System (INIS)

    Zhong Yun; Zhang Jige; Wang Dezhong; Shi Jianzhong

    2010-01-01

    The Computational Fluid Dynamics (CFD) method is employed to simulate numerically the steady flow and transient flow under variable openings of the nuclear safety grade 2 single-seat pneumatic diaphragm control valve, which is a sleeve valve. The steady simulations under rated condition tells that there is a large amount of vortex in the valve seat necking and around the valve cone, which leads to a much greater flow impact on the head of the valve cone and uneven pressure distribution on spool face. More consideration should be taken on the characteristics of the valve cone accordingly, when designing a valve of this kind. Then the transient flow under 100% and 40% openings is simulated numerically on the basis of steady simulations. The pulsation of the pressure magnitude at the points with large vorticity, in the valve seat necking and around the valve cone, is monitored. The main pulsation frequencies differ from the low natural frequencies of the model, which means that it is safe from leading to structural resonance. (authors)

  13. Reliability of single aliquot regenerative protocol (SAR) for dose estimation in quartz at different burial temperatures: A simulation study

    International Nuclear Information System (INIS)

    Koul, D.K.; Pagonis, V.; Patil, P.

    2016-01-01

    The single aliquot regenerative protocol (SAR) is a well-established technique for estimating naturally acquired radiation doses in quartz. This simulation work examines the reliability of SAR protocol for samples which experienced different ambient temperatures in nature in the range of −10 to 40 °C. The contribution of various experimental variables used in SAR protocols to the accuracy and precision of the method is simulated for different ambient temperatures. Specifically the effects of paleo-dose, test dose, pre-heating temperature and cut-heat temperature on the accuracy of equivalent dose (ED) estimation are simulated by using random combinations of the concentrations of traps and centers using a previously published comprehensive quartz model. The findings suggest that the ambient temperature has a significant bearing on the reliability of natural dose estimation using SAR protocol, especially for ambient temperatures above 0 °C. The main source of these inaccuracies seems to be thermal sensitization of the quartz samples caused by the well-known thermal transfer of holes between luminescence centers in quartz. The simulations suggest that most of this inaccuracy in the dose estimation can be removed by delivering the laboratory doses in pulses (pulsed irradiation procedures). - Highlights: • Ambient temperatures affect the reliability of SAR. • It overestimates the dose with increase in burial temperature and burial time periods. • Elevated temperature irradiation does not correct for these overestimations. • Inaccuracies in dose estimation can be removed by incorporating pulsed irradiation procedures.

  14. THE POLISH SEJM ELECTIONS OF 2015: SPACE VARIABILITY OF THE RESULTS BASED ON SINGLE-MEMBER CONSTITUENCIES SIMULATION

    Directory of Open Access Journals (Sweden)

    Oskar SKOMSKI

    2017-11-01

    Full Text Available The main assumption of this paper is to analyse the Sejm elections of 2015 results. The authors conducted a simulation study regarding the single-member constituencies in the election to the Polish Parliament, basing the research on the election results facilitated by National Electoral Commission as well as the specific data provided by Central Statistical Office. The division of Poland into 460 single-member constituencies was mapped by the authors (those maps do not include the district divisions in the cities, as the agglomerations’ division is problematic. Obtained results indicate to the marginalization of the Polish political scene – plural voting would preclude the election victories of the secondary political parties and civil rights movements.

  15. Coal gasification by indirect heating in a single moving bed reactor: Process development & simulation

    Directory of Open Access Journals (Sweden)

    Junaid Akhlas

    2015-10-01

    Full Text Available In this work, the development and simulation of a new coal gasification process with indirect heat supply is performed. In this way, the need of pure oxygen production as in a conventional gasification process is avoided. The feasibility and energetic self-sufficiency of the proposed processes are addressed. To avoid the need of Air Separation Unit, the heat required by gasification reactions is supplied by the combustion flue gases, and transferred to the reacting mixture through a bayonet heat exchanger installed inside the gasifier. Two alternatives for the flue gas generation have been investigated and compared. The proposed processes are modeled using chemical kinetics validated on experimental gasification data by means of a standard process simulator (Aspen PlusTM, integrated with a spreadsheet for the modeling of a special type of heat exchanger. Simulation results are presented and discussed for proposed integrated process schemes. It is shown that they do not need external energy supply and ensure overall efficiencies comparable to conventional processes while producing syngas with lower content of carbon dioxide.

  16. Light scattering microscopy measurements of single nuclei compared with GPU-accelerated FDTD simulations

    International Nuclear Information System (INIS)

    Stark, Julian; Rothe, Thomas; Kienle, Alwin; Kieß, Steffen; Simon, Sven

    2016-01-01

    Single cell nuclei were investigated using two-dimensional angularly and spectrally resolved scattering microscopy. We show that even for a qualitative comparison of experimental and theoretical data, the standard Mie model of a homogeneous sphere proves to be insufficient. Hence, an accelerated finite-difference time-domain method using a graphics processor unit and domain decomposition was implemented to analyze the experimental scattering patterns. The measured cell nuclei were modeled as single spheres with randomly distributed spherical inclusions of different size and refractive index representing the nucleoli and clumps of chromatin. Taking into account the nuclear heterogeneity of a large number of inclusions yields a qualitative agreement between experimental and theoretical spectra and illustrates the impact of the nuclear micro- and nanostructure on the scattering patterns. (paper)

  17. Light scattering microscopy measurements of single nuclei compared with GPU-accelerated FDTD simulations.

    Science.gov (United States)

    Stark, Julian; Rothe, Thomas; Kieß, Steffen; Simon, Sven; Kienle, Alwin

    2016-04-07

    Single cell nuclei were investigated using two-dimensional angularly and spectrally resolved scattering microscopy. We show that even for a qualitative comparison of experimental and theoretical data, the standard Mie model of a homogeneous sphere proves to be insufficient. Hence, an accelerated finite-difference time-domain method using a graphics processor unit and domain decomposition was implemented to analyze the experimental scattering patterns. The measured cell nuclei were modeled as single spheres with randomly distributed spherical inclusions of different size and refractive index representing the nucleoli and clumps of chromatin. Taking into account the nuclear heterogeneity of a large number of inclusions yields a qualitative agreement between experimental and theoretical spectra and illustrates the impact of the nuclear micro- and nanostructure on the scattering patterns.

  18. Single-step reinitialization and extending algorithms for level-set based multi-phase flow simulations

    Science.gov (United States)

    Fu, Lin; Hu, Xiangyu Y.; Adams, Nikolaus A.

    2017-12-01

    We propose efficient single-step formulations for reinitialization and extending algorithms, which are critical components of level-set based interface-tracking methods. The level-set field is reinitialized with a single-step (non iterative) "forward tracing" algorithm. A minimum set of cells is defined that describes the interface, and reinitialization employs only data from these cells. Fluid states are extrapolated or extended across the interface by a single-step "backward tracing" algorithm. Both algorithms, which are motivated by analogy to ray-tracing, avoid multiple block-boundary data exchanges that are inevitable for iterative reinitialization and extending approaches within a parallel-computing environment. The single-step algorithms are combined with a multi-resolution conservative sharp-interface method and validated by a wide range of benchmark test cases. We demonstrate that the proposed reinitialization method achieves second-order accuracy in conserving the volume of each phase. The interface location is invariant to reapplication of the single-step reinitialization. Generally, we observe smaller absolute errors than for standard iterative reinitialization on the same grid. The computational efficiency is higher than for the standard and typical high-order iterative reinitialization methods. We observe a 2- to 6-times efficiency improvement over the standard method for serial execution. The proposed single-step extending algorithm, which is commonly employed for assigning data to ghost cells with ghost-fluid or conservative interface interaction methods, shows about 10-times efficiency improvement over the standard method while maintaining same accuracy. Despite their simplicity, the proposed algorithms offer an efficient and robust alternative to iterative reinitialization and extending methods for level-set based multi-phase simulations.

  19. A DANREF certified reference plastic for measurement of overall migration into the food simulant olive oil by single sided testing

    DEFF Research Database (Denmark)

    Lund, K. H.; Lillemark, L.; Petersen, Jens Højslev

    2000-01-01

    A reference material for the determination of overall migration from a plastic coextrudate into the fatty food simulant olive oil was produced and certified in an interlaboratory study. The analyses were carried out according to the ENV 1186 standard from the European Committee for Standardization...... (CEN) [1, 2, 3] with exposure of the coextrudate to olive oil for 10 days at 40 degrees C. After an initial preliminary interlaboratory study eight laboratories participated in the certification round, and two different methods were used to obtain single sided exposure of the plastic to the oil...

  20. Measurement and simulation of anisotropic magnetoresistance in single GaAs/MnAs core/shell nanowires

    International Nuclear Information System (INIS)

    Liang, J.; Wang, J.; Cooley, B. J.; Rench, D. W.; Samarth, N.; Paul, A.; Dellas, N. S.; Mohney, S. E.; Engel-Herbert, R.

    2012-01-01

    We report four probe measurements of the low field magnetoresistance (MR) in single core/shell GaAs/MnAs nanowires (NWs) synthesized by molecular beam epitaxy, demonstrating clear signatures of anisotropic magnetoresistance that track the field-dependent magnetization. A comparison with micromagnetic simulations reveals that the principal characteristics of the magnetoresistance data can be unambiguously attributed to the nanowire segments with a zinc blende GaAs core. The direct correlation between magnetoresistance, magnetization, and crystal structure provides a powerful means of characterizing individual hybrid ferromagnet/semiconductor nanostructures.

  1. Numerical simulation and analysis of single grain YBCO processed from graded precursor powders

    OpenAIRE

    Zou, J; Ainslie, Mark Douglas; Hu, D; Zhai, W; Kumar, N Devendra; Durrell, John Hay; Shi, Yunhua; Cardwell, David Anthony

    2015-01-01

    Large single-grain bulk high-temperature superconducting materials can trap high magnetic fields in comparison with conventional permanent magnets, making them ideal candidates to develop more compact and efficient devices, such as actuators, magnetic levitation systems, flywheel energy storage systems and electric machines. However, macro-segregation of Y-211 inclusions in melt processed Y–Ba–Cu–O (YBCO) limits the macroscopic critical current density Jc of such bulk supercond...

  2. Numerical Simulation of Yttrium Aluminum Garnet(YAG) Single Crystal Growth by Resistance Heating Czochralski(CZ) Method

    Energy Technology Data Exchange (ETDEWEB)

    You, Myeong Hyeon; Cha, Pil Ryung [Kookmin University, Seoul (Korea, Republic of)

    2017-01-15

    Yttrium Aluminum Garnet (YAG) single crystal has received much attention as the high power solid-state laser’s key component in industrial and medical applications. Various growth methods have been proposed, and currently the induction-heating Czochralski (IHCZ) growth method is mainly used to grow YAG single crystal. Due to the intrinsic properties of the IHCZ method, however, the solid/liquid interface has a downward convex shape and a sharp tip at the center, which causes a core defect and reduces productivity. To produce YAG single crystals with both excellent quality and higher yield, it is essential to control the core defects. In this study, using computer simulations we demonstrate that the resistance-heating CZ (RHCZ) method may avoid a downward convex interface and produce core defect free YAG single crystal. We studied the effects of various design parameters on the interface shape and found that there was an optimum combination of design parameter and operating conditions that produced a flat solid-liquid interface.

  3. CT-QMC-simulations on the single impurity Anderson model with a superconducting bath

    Energy Technology Data Exchange (ETDEWEB)

    Sohn, Florian; Pruschke, Thomas [Institut fuer theoretische Physik, Universitaet Goettingen, Friedrich-Hund-Platz 1, 37077 Goettingen (Germany)

    2016-07-01

    Coupling a heavy fermion impurity to a superconducting lead induces a competition between the Kondo effect and superconductivity in the low temperature regime. This situation has been modeled with a single impurity Anderson model, where the normal state bath is replaced by a BCS-type superconducting bath in mean field approximation. We study this model using a continuous-time quantum Monte Carlo hybridization expansion algorithm. Results include the impurity Green's functions as well as the corresponding spectral functions obtained from analytic continuation. Two side bands are observed which we discuss in the light of Yu-Shiba-Rusinov states.

  4. Simulation of Single Reed Instruments Oscillations Based on Modal Decomposition of Bore and Reed Dynamics

    OpenAIRE

    Silva, Fabrice; Debut, Vincent; Kergomard, Jean; Vergez, Christophe; Deblevid, Aude; Guillemain, Philippe

    2007-01-01

    This paper investigates the sound production in a system made of a bore coupled with a reed valve. Extending previous work (Debut, 2004), the input impedance of the bore is projected on the modes of the air column. The acoustic pressure is therefore calculated as the sum of modal components. The airrrflow blown into the bore is modulated by reed motion, assuming the reed to be a single degree of freedom oscillator. Calculation of self-sustained oscillations controlled by time-varyi...

  5. Computational Fluid Dynamic Simulation of Single Bubble Growth under High-Pressure Pool Boiling Conditions

    Directory of Open Access Journals (Sweden)

    Janani Murallidharan

    2016-08-01

    Full Text Available Component-scale modeling of boiling is predominantly based on the Eulerian–Eulerian two-fluid approach. Within this framework, wall boiling is accounted for via the Rensselaer Polytechnic Institute (RPI model and, within this model, the bubble is characterized using three main parameters: departure diameter (D, nucleation site density (N, and departure frequency (f. Typically, the magnitudes of these three parameters are obtained from empirical correlations. However, in recent years, efforts have been directed toward mechanistic modeling of the boiling process. Of the three parameters mentioned above, the departure diameter (D is least affected by the intrinsic uncertainties of the nucleate boiling process. This feature, along with its prominence within the RPI boiling model, has made it the primary candidate for mechanistic modeling ventures. Mechanistic modeling of D is mostly carried out through solving of force balance equations on the bubble. Forces incorporated in these equations are formulated as functions of the radius of the bubble and have been developed for, and applied to, low-pressure conditions only. Conversely, for high-pressure conditions, no mechanistic information is available regarding the growth rates of bubbles and the forces acting on them. In this study, we use direct numerical simulation coupled with an interface tracking method to simulate bubble growth under high (up to 45 bar pressure, to obtain the kind of mechanistic information required for an RPI-type approach. In this study, we compare the resulting bubble growth rate curves with predictions made with existing experimental data.

  6. Monte Carlo simulation of boron-ion implantation into single-crystal silicon

    International Nuclear Information System (INIS)

    Klein, K.M.

    1991-01-01

    A physically based Monte Carlo boron implantation model developed comprehends previously neglected but important implant parameters such as native oxide layers, wafer temperature, beam divergence, tilt angle, rotation (twist) angle, and dose, in addition to energy. This model uses as its foundation the MARLOWE Monte Carlo simulation code developed at Oak Ridge National Laboratory for the analysis of radiation effects in materials. This code was carefully adapted for the simulation of ion implantation, and a number of significant improvements have been made, including the addition of atomic pair specific interatomic potentials, the implementation of a newly developed local electron concentration dependent electronic stopping model, and the implementation of a newly developed cumulative damage model. This improved version of the code, known as UT-MARLOWE, allows boron implantation profiles to be accurately predicted as a function of energy, tilt angle, rotation angle, and dose. This code has also been used in the development and implementation of an accurate and efficient two-dimensional boron implantation model

  7. All-atom molecular dynamics simulations of spin labelled double and single-strand DNA for EPR studies.

    Science.gov (United States)

    Prior, C; Danilāne, L; Oganesyan, V S

    2018-05-16

    We report the first application of fully atomistic molecular dynamics (MD) simulations to the prediction of electron paramagnetic resonance (EPR) spectra of spin labelled DNA. Models for two structurally different DNA spin probes with either the rigid or flexible position of the nitroxide group in the base pair, employed in experimental studies previously, have been developed. By the application of the combined MD-EPR simulation methodology we aimed at the following. Firstly, to provide a test bed against a sensitive spectroscopic technique for the recently developed improved version of the parmbsc1 force field for MD modelling of DNA. The predicted EPR spectra show good agreement with the experimental ones available from the literature, thus confirming the accuracy of the currently employed DNA force fields. Secondly, to provide a quantitative interpretation of the motional contributions into the dynamics of spin probes in both duplex and single-strand DNA fragments and to analyse their perturbing effects on the local DNA structure. Finally, a combination of MD and EPR allowed us to test the validity of the application of the Model-Free (M-F) approach coupled with the partial averaging of magnetic tensors to the simulation of EPR spectra of DNA systems by comparing the resultant EPR spectra with those simulated directly from MD trajectories. The advantage of the M-F based EPR simulation approach over the direct propagation techniques is that it requires motional and order parameters that can be calculated from shorter MD trajectories. The reported MD-EPR methodology is transferable to the prediction and interpretation of EPR spectra of higher order DNA structures with novel types of spin labels.

  8. CFD simulation on use of polyethylene single bubble to reduce radiant heat on lecture hall

    International Nuclear Information System (INIS)

    Muhieldeen, M.W.; Adam, N.M.; Elias Salleh; Tang, S.H.; Ghezavati, H.

    2009-01-01

    Full text: In recent years, Malaysia energy consumption has increased and become comparable to larger consumers worldwide. The increased demand for artificial cooling through the use of air conditioning units in other to provide comfort would also mean increased energy usage and increased electricity cost to the occupants. This paper reviews the results from a field survey of saving energy within one type of buildings lecture theater, in Universiti Putra Malaysia. The thermal insulation material established (polyethylene single bubble) and putting on the wall which separate between the lecture theater and the exterior. The survey was undertaken at January until April in 2008. In a 3D occupant Lecture hall (L: 15 m, W: 12 m, and H: 6.6 m). In addition the environmental parameters were measured in class room to calculate the boundary condition for using CFD to compare saving energy. The results show that by using polyethylene single bubble insulation in each condition, a reduction of 2.2 degree Celsius was achieved. (author)

  9. Modelling of single walled carbon nanotube cylindrical structures with finite element method simulations

    Energy Technology Data Exchange (ETDEWEB)

    Günay, E. [Gazi University, Mechanical Engineering Department, 06570, Ankara (Turkey)

    2016-04-21

    In this study, the modulus of elasticity and shear modulus values of single-walled carbon nanotubes SWCNTs were modelled by using both finite element method and the Matlab code. Initially, cylindrical armchair and zigzag single walled 3D space frames were demonstrated as carbon nanostructures. Thereafter, macro programs were written by the Matlab code producing the space truss for zigzag and armchair models. 3D space frames were introduced to the ANSYS software and then tension, compression and additionally torsion tests were performed on zigzag and armchair carbon nanotubes with BEAM4 element in obtaining the exact values of elastic and shear modulus values. In this study, two different boundary conditions were tested and especially used in torsion loading. The equivalent shear modulus data was found by averaging the corresponding values obtained from ten different nodal points on the nanotube path. Finally, in this study it was determined that the elastic constant values showed proportional changes by increasing the carbon nanotube diameters up to a certain level but beyond this level these values remained stable.

  10. Modelling of single walled carbon nanotube cylindrical structures with finite element method simulations

    Science.gov (United States)

    Günay, E.

    2016-04-01

    In this study, the modulus of elasticity and shear modulus values of single-walled carbon nanotubes SWCNTs were modelled by using both finite element method and the Matlab code. Initially, cylindrical armchair and zigzag single walled 3D space frames were demonstrated as carbon nanostructures. Thereafter, macro programs were written by the Matlab code producing the space truss for zigzag and armchair models. 3D space frames were introduced to the ANSYS software and then tension, compression and additionally torsion tests were performed on zigzag and armchair carbon nanotubes with BEAM4 element in obtaining the exact values of elastic and shear modulus values. In this study, two different boundary conditions were tested and especially used in torsion loading. The equivalent shear modulus data was found by averaging the corresponding values obtained from ten different nodal points on the nanotube path. Finally, in this study it was determined that the elastic constant values showed proportional changes by increasing the carbon nanotube diameters up to a certain level but beyond this level these values remained stable.

  11. Modelling of single walled carbon nanotube cylindrical structures with finite element method simulations

    International Nuclear Information System (INIS)

    Günay, E.

    2016-01-01

    In this study, the modulus of elasticity and shear modulus values of single-walled carbon nanotubes SWCNTs were modelled by using both finite element method and the Matlab code. Initially, cylindrical armchair and zigzag single walled 3D space frames were demonstrated as carbon nanostructures. Thereafter, macro programs were written by the Matlab code producing the space truss for zigzag and armchair models. 3D space frames were introduced to the ANSYS software and then tension, compression and additionally torsion tests were performed on zigzag and armchair carbon nanotubes with BEAM4 element in obtaining the exact values of elastic and shear modulus values. In this study, two different boundary conditions were tested and especially used in torsion loading. The equivalent shear modulus data was found by averaging the corresponding values obtained from ten different nodal points on the nanotube path. Finally, in this study it was determined that the elastic constant values showed proportional changes by increasing the carbon nanotube diameters up to a certain level but beyond this level these values remained stable.

  12. In silico predictions of LH2 ring sizes from the crystal structure of a single subunit using molecular dynamics simulations.

    Science.gov (United States)

    Janosi, Lorant; Keer, Harindar; Cogdell, Richard J; Ritz, Thorsten; Kosztin, Ioan

    2011-07-01

    Most of the currently known light-harvesting complexes 2 (LH2) rings are formed by 8 or 9 subunits. As of now, questions like "what factors govern the LH2 ring size?" and "are there other ring sizes possible?" remain largely unanswered. Here, we investigate by means of molecular dynamics (MD) simulations and stochastic modeling the possibility of predicting the size of an LH2 ring from the sole knowledge of the high resolution crystal structure of a single subunit. Starting with single subunits of two LH2 rings with known size, that is, an 8-ring from Rs. moliscianum (MOLI) and a 9-ring from Rps. acidophila (ACI), and one with unknown size (referred to as X), we build atomic models of subunit dimers corresponding to assumed 8-, 9-, and 10-ring geometries. After inserting each of the dimers into a lipid-water environment, we determine the preferred angle between the corresponding subunits by three methods: (1) energy minimization, (2) free MD simulations, and (3) potential of mean force calculations. We find that the results from all three methods are consistent with each other, and when taken together, it allows one to predict with reasonable level of confidence the sizes of the corresponding ring structures. One finds that X and ACI very likely form a 9-ring, while MOLI is more likely to form an 8-ring than a 9-ring. Finally, we discuss both the merits and limitations of all three prediction methods. Copyright © 2011 Wiley-Liss, Inc.

  13. Analysis of polytype stability in PVT grown silicon carbide single crystal using competitive lattice model Monte Carlo simulations

    Directory of Open Access Journals (Sweden)

    Hui-Jun Guo

    2014-09-01

    Full Text Available Polytype stability is very important for high quality SiC single crystal growth. However, the growth conditions for the 4H, 6H and 15R polytypes are similar, and the mechanism of polytype stability is not clear. The kinetics aspects, such as surface-step nucleation, are important. The kinetic Monte Carlo method is a common tool to study surface kinetics in crystal growth. However, the present lattice models for kinetic Monte Carlo simulations cannot solve the problem of the competitive growth of two or more lattice structures. In this study, a competitive lattice model was developed for kinetic Monte Carlo simulation of the competition growth of the 4H and 6H polytypes of SiC. The site positions are fixed at the perfect crystal lattice positions without any adjustment of the site positions. Surface steps on seeds and large ratios of diffusion/deposition have positive effects on the 4H polytype stability. The 3D polytype distribution in a physical vapor transport method grown SiC ingot showed that the facet preserved the 4H polytype even if the 6H polytype dominated the growth surface. The theoretical and experimental results of polytype growth in SiC suggest that retaining the step growth mode is an important factor to maintain a stable single 4H polytype during SiC growth.

  14. RELAP-7 Level 2 Milestone Report: Demonstration of a Steady State Single Phase PWR Simulation with RELAP-7

    International Nuclear Information System (INIS)

    Andrs, David; Berry, Ray; Gaston, Derek; Martineau, Richard; Peterson, John; Zhang, Hongbin; Zhao, Haihua; Zou, Ling

    2012-01-01

    The document contains the simulation results of a steady state model PWR problem with the RELAP-7 code. The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at Idaho National Laboratory (INL). The code is based on INL's modern scientific software development framework - MOOSE (Multi-Physics Object-Oriented Simulation Environment). This report summarizes the initial results of simulating a model steady-state single phase PWR problem using the current version of the RELAP-7 code. The major purpose of this demonstration simulation is to show that RELAP-7 code can be rapidly developed to simulate single-phase reactor problems. RELAP-7 is a new project started on October 1st, 2011. It will become the main reactor systems simulation toolkit for RISMC (Risk Informed Safety Margin Characterization) and the next generation tool in the RELAP reactor safety/systems analysis application series (the replacement for RELAP5). The key to the success of RELAP-7 is the simultaneous advancement of physical models, numerical methods, and software design while maintaining a solid user perspective. Physical models include both PDEs (Partial Differential Equations) and ODEs (Ordinary Differential Equations) and experimental based closure models. RELAP-7 will eventually utilize well posed governing equations for multiphase flow, which can be strictly verified. Closure models used in RELAP5 and newly developed models will be reviewed and selected to reflect the progress made during the past three decades. RELAP-7 uses modern numerical methods, which allow implicit time integration, higher order schemes in both time and space, and strongly coupled multi-physics simulations. RELAP-7 is written with object oriented programming language C++. Its development follows modern software design paradigms. The code is easy to read, develop, maintain, and couple with other codes. Most importantly, the modern software design allows the RELAP-7 code to

  15. The performance simulation of single cylinder electric power confined piston engine

    Science.gov (United States)

    Gou, Yanan

    2017-04-01

    A new type of power plant. i.e, Electric Power Confined Piston Engine, is invented by combining the free piston engine and the crank connecting rod mechanism of the traditional internal combustion engine. Directly using the reciprocating movement of the piston, this new engine converts the heat energy produced by fuel to electrical energy and output it. The paper expounds the working mechanism of ECPE and establishes the kinematics and dynamics equations. Furthermore, by using the analytic method, the ECPE electromagnetic force is solved at load cases. Finally, in the simulation environment of MARLAB, the universal characteristic curve is obtained in the condition of rotational speed n between 1000 r/min and 2400 r/min, throttle opening α between 30% and 100%.

  16. TMCI thresholds for LHC single bunches in the CERN SPS and comparison with simulations

    CERN Document Server

    Bartosik, H; Papaphilippou, Y; Rumolo, G; Salvant, B; Zannini, C

    2014-01-01

    At the beginning of 2013 an extensive measurement campaign was carried out at the SPS in order to determine the Transverse Mode Coupling Instability thresholds of LHC-type bunches in a wide range of intensities and longitudinal emittances. The measurements were performed in two different configurations of machine optics (nominal and low gamma transition) with the goal to characterize the differences in behavior and performance. The purpose of this paper is to describe in detail the measurement procedure and results, as well as the comparison of the experimental data with HEADTAIL simulations based on the latest SPS impedance model. Beside the impedances of the resistive wall, the beam position monitors (BPMs), the RF cavities, and the flanges, an advanced model of the impedance of the kicker magnets is included, which are found to play a major role in the definition of the stability region of the LHC-type bunches in the two optics configurations studied.

  17. Quantum Mechanical Single Molecule Partition Function from PathIntegral Monte Carlo Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Chempath, Shaji; Bell, Alexis T.; Predescu, Cristian

    2006-10-01

    An algorithm for calculating the partition function of a molecule with the path integral Monte Carlo method is presented. Staged thermodynamic perturbation with respect to a reference harmonic potential is utilized to evaluate the ratio of partition functions. Parallel tempering and a new Monte Carlo estimator for the ratio of partition functions are implemented here to achieve well converged simulations that give an accuracy of 0.04 kcal/mol in the reported free energies. The method is applied to various test systems, including a catalytic system composed of 18 atoms. Absolute free energies calculated by this method lead to corrections as large as 2.6 kcal/mol at 300 K for some of the examples presented.

  18. Modelling and Simulation of Single-Phase Series Active Compensator for Power Quality Improvement

    Science.gov (United States)

    Verma, Arun Kumar; Mathuria, Kirti; Singh, Bhim; Bhuvaneshwari, G.

    2017-10-01

    A single-phase active series compensator is proposed in this work to reduce harmonic currents at the ac mains and to regulate the dc link voltage of a diode bridge rectifier (DBR) that acts as the front end converter for a voltage source inverter feeding an ac motor. This ac motor drive is used in any of the domestic, commercial or industrial appliances. Under fluctuating ac mains voltages, the dc link voltage of the DBR depicts wide variations and hence the ac motor is used at reduced rating as compared to its name-plate rating. The active series compensator proposed here provides dual functions of improving the power quality at the ac mains and regulating the dc link voltage thus averting the need for derating of the ac motor.

  19. Evaluation of a scatter correlation technique for single photon transmission measurements in PET by means of Monte Carlo simulations

    International Nuclear Information System (INIS)

    Wegmann, K.; Brix, G.

    2000-01-01

    Purpose: Single photon transmission (SPT) measurements offer a new approach for the determination of attenuation correction factors (ACF) in PET. It was the aim of the present work, to evaluate a scatter correction alogrithm proposed by C. Watson by means of Monte Carlo simulations. Methods: SPT measurements with a Cs-137 point source were simulated for a whole-body PET scanner (ECAT EXACT HR + ) in both the 2D and 3D mode. To examine the scatter fraction (SF) in the transmission data, the detected photons were classified as unscattered or scattered. The simulated data were used to determine (i) the spatial distribution of the SFs, (ii) an ACF sinogram from all detected events (ACF tot ) and (iii) from the unscattered events only (ACF unscattered ), and (iv) an ACF cor =(ACF tot ) 1+Κ sinogram corrected according to the Watson algorithm. In addition, density images were reconstructed in order to quantitatively evaluate linear attenuation coefficients. Results: A high correlation was found between the SF and the ACF tot sinograms. For the cylinder and the EEC phantom, similar correction factors Κ were estimated. The determined values resulted in an accurate scatter correction in both the 2D and 3D mode. (orig.) [de

  20. Simulations of Spray Reacting Flows in a Single Element LDI Injector With and Without Invoking an Eulerian Scalar PDF Method

    Science.gov (United States)

    Shih, Tsan-Hsing; Liu, Nan-Suey

    2012-01-01

    This paper presents the numerical simulations of the Jet-A spray reacting flow in a single element lean direct injection (LDI) injector by using the National Combustion Code (NCC) with and without invoking the Eulerian scalar probability density function (PDF) method. The flow field is calculated by using the Reynolds averaged Navier-Stokes equations (RANS and URANS) with nonlinear turbulence models, and when the scalar PDF method is invoked, the energy and compositions or species mass fractions are calculated by solving the equation of an ensemble averaged density-weighted fine-grained probability density function that is referred to here as the averaged probability density function (APDF). A nonlinear model for closing the convection term of the scalar APDF equation is used in the presented simulations and will be briefly described. Detailed comparisons between the results and available experimental data are carried out. Some positive findings of invoking the Eulerian scalar PDF method in both improving the simulation quality and reducing the computing cost are observed.

  1. Plane-dependent ML scatter scaling: 3D extension of the 2D simulated single scatter (SSS) estimate

    Science.gov (United States)

    Rezaei, Ahmadreza; Salvo, Koen; Vahle, Thomas; Panin, Vladimir; Casey, Michael; Boada, Fernando; Defrise, Michel; Nuyts, Johan

    2017-08-01

    Scatter correction is typically done using a simulation of the single scatter, which is then scaled to account for multiple scatters and other possible model mismatches. This scaling factor is determined by fitting the simulated scatter sinogram to the measured sinogram, using only counts measured along LORs that do not intersect the patient body, i.e. ‘scatter-tails’. Extending previous work, we propose to scale the scatter with a plane dependent factor, which is determined as an additional unknown in the maximum likelihood (ML) reconstructions, using counts in the entire sinogram rather than only the ‘scatter-tails’. The ML-scaled scatter estimates are validated using a Monte-Carlo simulation of a NEMA-like phantom, a phantom scan with typical contrast ratios of a 68Ga-PSMA scan, and 23 whole-body 18F-FDG patient scans. On average, we observe a 12.2% change in the total amount of tracer activity of the MLEM reconstructions of our whole-body patient database when the proposed ML scatter scales are used. Furthermore, reconstructions using the ML-scaled scatter estimates are found to eliminate the typical ‘halo’ artifacts that are often observed in the vicinity of high focal uptake regions.

  2. Gothic simulation of single-channel fuel heatup following a loss of forced flow

    Energy Technology Data Exchange (ETDEWEB)

    Chen, X-Q; Tahir, A. [NSS, Dept. of Thermal Hydraulics Analysis, Toronto, Ontario (Canada); Parlatan, Y. [Ontario Power Generation, NSATD, Pickering, Ontario (Canada); Kwee, M. [Bruce Power, NSASD, Toronto, Ontario (Canada)

    2011-07-01

    GOTHIC v7.2 was used to develop a computer model for the simulation of 28- and 37-element fuel heat-up at a loss of forced flow. The model has accounted for the non-uniformity of both axial and radial power distributions along the fuel channel for a typical CANDU reactor. In addition, the model has also accounted for the fuel rods, end-fittings, feeders and headers. Experimental test conditions for both 28- and 37-element bundles at either low or high powers were used for model validation. GOTHIC predictions of the rod and/or pressure-tube temperatures at a variety of test locations were compared with the corresponding experimental measurements. It is found that the numerical results agree well with the experimental measurements for most of the test locations. Results have also shown that the channel venting time is sensitive to the initial temperature distribution in the feeders and headers. An imposed temperature asymmetry at the beginning will cause the channel flow to vent earlier. (author)

  3. Prediction and control of pillow defect in single point incremental forming using numerical simulations

    International Nuclear Information System (INIS)

    Isidore, B. B. Lemopi; Hussain, G.; Khan, Wasim A.; Shamachi, S. Pourhassan

    2016-01-01

    Pillows formed at the center of sheets in Single point incremental forming (SPIF) are fabrication defects which adversely affect the geometrical accuracy and formability of manufactured parts. This study is focused on using FEA as a tool to predict and control pillowing in SPIF by varying tool size and shape. 3D Finite element analysis (FEA) and experiments are carried out using annealed Aluminum 1050. From FEA, it is found out that the stress/strain state in the immediate vicinity of the forming tool in the transverse direction plays a determinant role on sheet pillowing. Furthermore, pillow height increases as compression in the sheet-plane increases. The nature of in-plane stresses in the transverse direction varies from compressive to tensile as the tool-end geometry is changed from spherical to flat. Additionally, the magnitude of corresponding in-plane stresses decreases as the tool radius increases. According to measurements from the FEA model, flat end tools and large radii both retard pillow formation. However, the influence of changing tool end shape from hemispherical to flat is observed to be more important than the effect of varying tool radius, because the deformation zone remains in tension in the transverse direction while forming with flat end tools. These findings are verified by conducting a set of experiments. A fair agreement between the FEM and empirical results show that FEM can be employed as a tool to predict and control the pillow defect in SPIF.

  4. Prediction and control of pillow defect in single point incremental forming using numerical simulations

    Energy Technology Data Exchange (ETDEWEB)

    Isidore, B. B. Lemopi [Eastern Mediterranean University, Gazimagusa (Turkmenistan); Hussain, G.; Khan, Wasim A. [GIK Institute of Engineering, Swabi (Pakistan); Shamachi, S. Pourhassan [University of Minho, Guimaraes (Portugal)

    2016-05-15

    Pillows formed at the center of sheets in Single point incremental forming (SPIF) are fabrication defects which adversely affect the geometrical accuracy and formability of manufactured parts. This study is focused on using FEA as a tool to predict and control pillowing in SPIF by varying tool size and shape. 3D Finite element analysis (FEA) and experiments are carried out using annealed Aluminum 1050. From FEA, it is found out that the stress/strain state in the immediate vicinity of the forming tool in the transverse direction plays a determinant role on sheet pillowing. Furthermore, pillow height increases as compression in the sheet-plane increases. The nature of in-plane stresses in the transverse direction varies from compressive to tensile as the tool-end geometry is changed from spherical to flat. Additionally, the magnitude of corresponding in-plane stresses decreases as the tool radius increases. According to measurements from the FEA model, flat end tools and large radii both retard pillow formation. However, the influence of changing tool end shape from hemispherical to flat is observed to be more important than the effect of varying tool radius, because the deformation zone remains in tension in the transverse direction while forming with flat end tools. These findings are verified by conducting a set of experiments. A fair agreement between the FEM and empirical results show that FEM can be employed as a tool to predict and control the pillow defect in SPIF.

  5. 3D-CFD Simulation of Confined Cross-Flow Injection Process Using Single Piston Pump

    Directory of Open Access Journals (Sweden)

    M. Elashmawy

    2017-12-01

    Full Text Available Injection process into a confined cross flow is quite important for many applications including chemical engineering and water desalination technology. The aim of this study is to investigate the performance of the injection process into a confined cross-flow of a round pipe using a single piston injection pump. A computational fluid dynamics (CFD analysis has been carried out to investigate the effect of the locations of the maximum velocity and minimum pressure on the confined cross-flow process. The jet trajectory is analyzed and related to the injection pump shaft angle of rotation during the injection duty cycle by focusing on the maximum instant injection flow of the piston action. Results indicate a low effect of the jet trajectory within the range related to the injection pump operational conditions. Constant cross-flow was used and injection flow is altered to vary the jet to line flow ratio (QR. The maximum jet trajectory exhibits low penetration inside the cross-flow. The results showed three regions of the flow ratio effect zones with different behaviors. Results also showed that getting closer to the injection port causes a significant decrease on the locations of the maximum velocity and minimum pressure.

  6. Single-chain-in-mean-field simulations of weak polyelectrolyte brushes

    Science.gov (United States)

    Léonforte, F.; Welling, U.; Müller, M.

    2016-12-01

    Structural properties of brushes which are composed of weak acidic and basic polyelectrolytes are studied in the framework of a particle-based approach that implicitly accounts for the solvent quality. Using a semi-grandcanonical partition function in the framework of the Single-Chain-in-Mean-Field (SCMF) algorithm, the weak polyelectrolyte is conceived as a supramolecular mixture of polymers in different dissociation states, which are explicitly treated in the partition function and sampled by the SCMF procedure. One obtains a local expression for the equilibrium acid-base reaction responsible for the regulation of the charged groups that is also incorporated to the SCMF sampling. Coupled to a simultaneous treatment of the electrostatics, the approach is shown to capture the main features of weak polyelectrolyte brushes as a function of the bulk pH in the solution, the salt concentration, and the grafting density. Results are compared to experimental and theoretical works from the literature using coarse-grained representations of poly(acrylic acid) (PAA) and poly(2-vinyl pyridine) (P2VP) polymer-based brushes. As the Born self-energy of ions can be straightforwardly included in the numerical approach, we also study its effect on the local charge regulation mechanism of the brush. We find that its effect becomes significant when the brush is dense and exposed to high salt concentrations. The numerical methodology is then applied (1) to the study of the kinetics of collapse/swelling of a P2VP brush and (2) to the ability of an applied voltage to induce collapse/swelling of a PAA brush in a pH range close to the pKa value of the polymer.

  7. Horizontal single-trip gravel pack and selective simulation system for deep water extended reach wells

    Energy Technology Data Exchange (ETDEWEB)

    Pineda, Francisco [BJ Services Company, Houston, TX (United States); Vilela, Alvaro; Montanha, Roberto; Acosta, Marco; Farias, Rodrigo [BJ Services do Brasil Ltda., Rio de Janeiro, RJ (Brazil)

    2004-07-01

    Most of the reservoirs located in the deep water and ultra-deep water offshore South America are described as unconsolidated sandstone that require sand control on both producers and water injection wells. Horizontal Open Hole Gravel Pack completions are the preferred method of development. If completing heavy oil reservoirs, there is a necessity of longer horizontal open hole sections. Low fracture gradients may limit the length of gravel pack in the open hole section because of the pressure increase during the Beta wave proppant deposition phase. This system allows the gravel pack assembly to be installed and the gravel pack to be pumped during the alpha and beta wave deposition phases without the limitation of high pressures that could fracture the well. The benefits of the Horizontal Single-Trip Gravel Pack and Selective Stimulation System (HSTSSS) using the differential valve include the ability to complete longer horizontal intervals, valuable rig-time savings and, efficient mechanical diversion of the stimulation fluid. This paper outlines the application of the HSTSSS system using a differential valve to complete a horizontal well in offshore deep waters. The need for a differential valve is primarily in horizontal gravel packing operations when normal circulating rates and pressures around the open hole would exceed formation break down pressure. The valve is intended to be easily spaced out and run in the wash pipe. At a predetermined differential pressure the valve opens and the return flow path distance around the bottom of the tailpipe is shortened, thus reducing back pressure preventing filter cake damage without slowing the pump rate. In addition the said valve has to close to allow the selective stimulation to take place. Economic considerations along with completion efficiencies are especially important on deep water, subsea completions. The utilization of differential valves allows completion of extended-reach open hole wells and/or low fracture

  8. Time evolution and use of multiple times in the N-body problem

    International Nuclear Information System (INIS)

    McGuire, J.H.; Godunov, A.L.

    2003-01-01

    Under certain conditions it is possible to describe time evolution using different times for different particles. Use of multiple times is optional in the independent particle approximation, where interparticle interactions are removed, and the N-particle evolution operator factors into N single-particle evolution operators. In this limit one may use either a single time, with a single energy-time Fourier transform, or N different times with a different energy-time transform for each particle. The use of different times for different particles is fully justified when coherence between single-particle amplitudes is lost, e.g., if relatively strong randomly fluctuating residual fields influence each particle independently. However, when spatial correlation is present the use of multiple times is not feasible, even when the evolution of the particles is uncorrelated in time. Some calculations in simple atomic systems with and without spatial and temporal correlation between different electrons are included

  9. Theoretical analysis and numerical simulation of electromagnetic parameters of Fe-C coaxial single fiber

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Wei, E-mail: cslggncl@163.com [Key Laboratory of Safety Design and Reliability Technology for Engineering Vehicle, Hunan Province, Changsha University of Science and Technology, Changsha 410114 (China); Hunan Province Higher Education Key Laboratory of Modeling and Monitoring on the Near-Earth Electromagnetic Environments, Changsha University of Science & Technology, Changsha 410114 (China); College of Aerospace Science and Engineering, National University of Defense Technology, Changsha 410073 (China); Chemical and Biomolecular Engineering Department, University of Tennessee, Knoxville, TN 37996 (United States); Zhu, Xukun; Kuang, Jiacai [Key Laboratory of Safety Design and Reliability Technology for Engineering Vehicle, Hunan Province, Changsha University of Science and Technology, Changsha 410114 (China); Hunan Province Higher Education Key Laboratory of Modeling and Monitoring on the Near-Earth Electromagnetic Environments, Changsha University of Science & Technology, Changsha 410114 (China); Yi, Shihe; Cheng, Haifeng [College of Aerospace Science and Engineering, National University of Defense Technology, Changsha 410073 (China); Guo, Zhanhu; He, Qingliang [Chemical and Biomolecular Engineering Department, University of Tennessee, Knoxville, TN 37996 (United States)

    2017-06-15

    Highlights: • Theoretical formula and calculation results of effective permeability and effective permittivity of the Fe-C coaxial fiber are obtained based on the Maxwell equation. • The coaxial fiber has stronger anisotropy and better electromagnetic dissipation performance than the hollow carbon fiber and solid iron fiber with the same volume content. • Greater conductivity, larger aspect ratio, thin iron shell play important roles to improve the electromagnetic matching ability and microwave attenuation for the Fe-C coaxial fibers. - Abstract: Based on the Maxwell equation, the electromagnetic model in the coaxial fiber was described. The interaction with electromagnetic wave was analysed and the theoretical formula of axial permeability (μ{sub ∥}), axial permittivity (ε{sub ∥}), radial permeability (μ{sub ⊥}) and radial permittivity (ε{sub ⊥}) of Fe-C coaxial fiber were derived, and the demagnetization factor (N) of fibrous material was revised. Calculation results indicate that the composite fiber has stronger anisotropy and better EM dissipation performance than the hollow carbon fiber and solid iron fiber with the same volume content. These properties can be enhanced through increasing aspect ratio and carbon content. The μ{sub ‖} is 5.18-4.46i, μ{sub ⊥} is 2.58-0.50i, ε{sub ∥} is 7.63-6.97i, and ε{sub ⊥} is 1.98-0.15i when the electromagnetic wave frequency is 5 GHz with the outer diameter of 0.866 μm, inner diameter of 0.500 μm, and length of 20 μm. The maximum of the imaginary part of μ{sub ∥} and ε{sub ∥} are much larger than that of μ{sub ⊥} and ε{sub ⊥} when the structural parameters change, and the maximum of μ{sub ∥} and ε{sub ∥} can reach 6.429 and 23.59. Simulation results show that greater conductivity, larger aspect ratio, thin iron shell play important roles to improve the electromagnetic matching ability and microwave attenuation for the Fe-C coaxial fibers.

  10. A finite volume solver for three dimensional debris flow simulations based on a single calibration parameter

    Science.gov (United States)

    von Boetticher, Albrecht; Turowski, Jens M.; McArdell, Brian; Rickenmann, Dieter

    2016-04-01

    Debris flows are frequent natural hazards that cause massive damage. A wide range of debris flow models try to cover the complex flow behavior that arises from the inhomogeneous material mixture of water with clay, silt, sand, and gravel. The energy dissipation between moving grains depends on grain collisions and tangential friction, and the viscosity of the interstitial fine material suspension depends on the shear gradient. Thus a rheology description needs to be sensitive to the local pressure and shear rate, making the three-dimensional flow structure a key issue for flows in complex terrain. Furthermore, the momentum exchange between the granular and fluid phases should account for the presence of larger particles. We model the fine material suspension with a Herschel-Bulkley rheology law, and represent the gravel with the Coulomb-viscoplastic rheology of Domnik & Pudasaini (Domnik et al. 2013). Both composites are described by two phases that can mix; a third phase accounting for the air is kept separate to account for the free surface. The fluid dynamics are solved in three dimensions using the finite volume open-source code OpenFOAM. Computational costs are kept reasonable by using the Volume of Fluid method to solve only one phase-averaged system of Navier-Stokes equations. The Herschel-Bulkley parameters are modeled as a function of water content, volumetric solid concentration of the mixture, clay content and its mineral composition (Coussot et al. 1989, Yu et al. 2013). The gravel phase properties needed for the Coulomb-viscoplastic rheology are defined by the angle of repose of the gravel. In addition to this basic setup, larger grains and the corresponding grain collisions can be introduced by a coupled Lagrangian particle simulation. Based on the local Savage number a diffusive term in the gravel phase can activate phase separation. The resulting model can reproduce the sensitivity of the debris flow to water content and channel bed roughness, as

  11. Process design and simulation for optimizing the oxygen concentration in Czochralski-grown single-crystal silicon

    International Nuclear Information System (INIS)

    Jung, Y. J.; Kim, W. K.; Jung, J. H.

    2014-01-01

    The highest-concentration impurity in a single-crystal silicon ingot is oxygen, which infiltrates the ingot during growth stage. This oxygen adversely affects the wafer is quality. This study was aimed at finding an optimal design for the Czochralski (Cz) process to enable high-quality and low cost (by reducing power consumption) wafer production by controlling the oxygen concentration in the silicon ingots. In the Cz process, the characteristics of silicon ingots during crystallization are greatly influenced by the design and the configuration of the hot zone, and by crystallization rate. In order to identify process conditions for obtaining an optimal oxygen concentration of 11 - 13 ppma (required for industrial-grade ingots), designed two shield shapes for the hot zone. Furthermore, oxygen concentrations corresponding to these two shapes were compared by evaluating each shape at five different production speeds. In addition, simulations were performed to identify the optimal shield design for industrial applications.

  12. Process design and simulation for optimizing the oxygen concentration in Czochralski-grown single-crystal silicon

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Y. J.; Kim, W. K.; Jung, J. H. [Yeungnam University, Gyeongsan (Korea, Republic of)

    2014-08-15

    The highest-concentration impurity in a single-crystal silicon ingot is oxygen, which infiltrates the ingot during growth stage. This oxygen adversely affects the wafer is quality. This study was aimed at finding an optimal design for the Czochralski (Cz) process to enable high-quality and low cost (by reducing power consumption) wafer production by controlling the oxygen concentration in the silicon ingots. In the Cz process, the characteristics of silicon ingots during crystallization are greatly influenced by the design and the configuration of the hot zone, and by crystallization rate. In order to identify process conditions for obtaining an optimal oxygen concentration of 11 - 13 ppma (required for industrial-grade ingots), designed two shield shapes for the hot zone. Furthermore, oxygen concentrations corresponding to these two shapes were compared by evaluating each shape at five different production speeds. In addition, simulations were performed to identify the optimal shield design for industrial applications.

  13. Single-phase and two-phase gas-liquid turbulent mixing between subchannels in a simulated rod bundle

    International Nuclear Information System (INIS)

    Sadatomi, Michio; Kawahara, Akimaro; Sato, Yoshifusa; Tomino, Takayoshi.

    1996-01-01

    This study is concerned with turbulent mixing which is one of the three mechanisms of cross flows between subchannels in a nuclear fuel rod bundle. The channel used in this experiments was a vertical simulated rod bundle having two subchannels connected through 1 to 3 gaps between two rods and/or rod and channel wall. The number of the gaps was changed to investigate the effect of the number on the turbulent mixing. Turbulent mixing rates of air and water and fluctuations of pressure difference between the subchannels were measured for single-phase and two-phase gas-liquid flows under hydrodynamic equilibrium flow conditions. It has been confirmed that the turbulent mixing rate is affected strongly by the fluctuations especially for liquid phase in two-phase slug or churn flow. (author)

  14. A Single-Machine Two-Agent Scheduling Problem by a Branch-and-Bound and Three Simulated Annealing Algorithms

    Directory of Open Access Journals (Sweden)

    Shangchia Liu

    2015-01-01

    Full Text Available In the field of distributed decision making, different agents share a common processing resource, and each agent wants to minimize a cost function depending on its jobs only. These issues arise in different application contexts, including real-time systems, integrated service networks, industrial districts, and telecommunication systems. Motivated by its importance on practical applications, we consider two-agent scheduling on a single machine where the objective is to minimize the total completion time of the jobs of the first agent with the restriction that an upper bound is allowed the total completion time of the jobs for the second agent. For solving the proposed problem, a branch-and-bound and three simulated annealing algorithms are developed for the optimal solution, respectively. In addition, the extensive computational experiments are also conducted to test the performance of the algorithms.

  15. Ab-initio quantum transport simulation of self-heating in single-layer 2-D materials

    Science.gov (United States)

    Stieger, Christian; Szabo, Aron; Bunjaku, Teutë; Luisier, Mathieu

    2017-07-01

    Through advanced quantum mechanical simulations combining electron transport and phonon transport from first-principles, self-heating effects are investigated in n-type transistors with single-layer MoS2, WS2, and black phosphorus as channel materials. The selected 2-D crystals all exhibit different phonon-limited mobility values, as well as electron and phonon properties, which have a direct influence on the increase in their lattice temperature and on the power dissipated inside their channel as a function of the applied gate voltage and electrical current magnitude. This computational study reveals (i) that self-heating plays a much more important role in 2-D materials than in Si nanowires, (ii) that it could severely limit the performance of 2-D devices at high current densities, and (iii) that black phosphorus appears less sensitive to this phenomenon than transition metal dichalcogenides.

  16. Numerical Simulation of Inter-Flat Air Cross-Contamination under the Condition of Single-Sided Natural Ventilation

    DEFF Research Database (Denmark)

    Liu, Xiaoping; Niu, Jianlei; Perino, Marco

    2008-01-01

    ventilated room, the renormalization group based k-ε model, together with carbon dioxide used as a tracer, is chosen to reveal this air cross-contamination. The simulation results are in agreement with our prior on-site tracer-gas measurements, revealing that the windows flush with a flat fa ade can...... be a major route of the air cross-contamination in high-rise residential buildings. Finally, an assessment index is proposed to evaluate the potential infection risks associated with this inter-flat air flow occurring in high-rise residential buildings....... the two sides, each of which has a flat fa ade with openable windows. When the wind speed is extremely low, with doors closed and windows opened, the flats become single-sided naturally ventilated driven by buoyancy effects. The air pollutants can travel from a lower flat to a vertically adjacent upper...

  17. Investigating interfacial contact configuration and behavior of single-walled carbon nanotube-based nanodevice with atomistic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Jianlei, E-mail: cjlxjtu@mail.xjtu.edu.cn; Zhang, Jianwei [Xi’an Jiaotong University, State Key Laboratory for Manufacturing Systems Engineering (China); He, Xiaoqiao, E-mail: bcxqhe@cityu.edu.hk [City University of Hong Kong, Department of Architecture and Civil Engineering (Hong Kong); Mei, Xuesong; Wang, Wenjun [Xi’an Jiaotong University, State Key Laboratory for Manufacturing Systems Engineering (China); Yang, Xinju [Fudan University, State Key Laboratory of Surface Physics and Department of Physics (China); Xie, Hui; Yang, Lijun; Wang, Yang [Harbin Institute of Technology, State Key Laboratory of Robotics and Systems (China)

    2017-03-15

    Carbon nanotubes (CNTs), including single-walled carbon nanotubes (SWNTs) and multi-walled carbon nanotubes (MWNTs), are considered to be the promising candidates for next-generation interconnects with excellent physical and chemical properties ranging from ultrahigh mechanical strength, to electrical properties, to thermal conductivity, to optical properties, etc. To further study the interfacial contact configurations of SWNT-based nanodevice with a 13.56-Å diameter, the corresponding simulations are carried out with the molecular dynamic method. The nanotube collapses dramatically into the surface with the complete collapse on the Au/Ag/graphite electrode surface and slight distortion on the Si/SiO{sub 2} substrate surface, respectively. The related dominant mechanism is studied and explained. Meanwhile, the interfacial contact configuration and behavior, depended on other factors, are also analyzed in this article.

  18. Comparison Elements on STG DICE cell for Content-Addressable Memory and Simulation of Single-Event Transients

    Directory of Open Access Journals (Sweden)

    V. Ya. Stenin

    2017-06-01

    Full Text Available Comparison elements on base the STG DICE cell and the logical element “Exclusive OR” for a content-addressable memory were designed and simulated. The comparison element contains two identical joint groups of transistors that are spaced on the chip by the distance of four micrometers, so the loss of data in STG DICE cell practically excluded. On the characteristics of the new 65-nm CMOS comparison element, we predict the hardness of these item to single event rate (SER more to hundred times compared to elements on 6-transistors cells and the standard DICE cell with distances 0.5-0.6 μm between mutually sensitive nodes.

  19. Structure-based molecular simulations reveal the enhancement of biased Brownian motions in single-headed kinesin.

    Science.gov (United States)

    Kanada, Ryo; Kuwata, Takeshi; Kenzaki, Hiroo; Takada, Shoji

    2013-01-01

    Kinesin is a family of molecular motors that move unidirectionally along microtubules (MT) using ATP hydrolysis free energy. In the family, the conventional two-headed kinesin was experimentally characterized to move unidirectionally through "walking" in a hand-over-hand fashion by coordinated motions of the two heads. Interestingly a single-headed kinesin, a truncated KIF1A, still can generate a biased Brownian movement along MT, as observed by in vitro single molecule experiments. Thus, KIF1A must use a different mechanism from the conventional kinesin to achieve the unidirectional motions. Based on the energy landscape view of proteins, for the first time, we conducted a set of molecular simulations of the truncated KIF1A movements over an ATP hydrolysis cycle and found a mechanism exhibiting and enhancing stochastic forward-biased movements in a similar way to those in experiments. First, simulating stand-alone KIF1A, we did not find any biased movements, while we found that KIF1A with a large friction cargo-analog attached to the C-terminus can generate clearly biased Brownian movements upon an ATP hydrolysis cycle. The linked cargo-analog enhanced the detachment of the KIF1A from MT. Once detached, diffusion of the KIF1A head was restricted around the large cargo which was located in front of the head at the time of detachment, thus generating a forward bias of the diffusion. The cargo plays the role of a diffusional anchor, or cane, in KIF1A "walking."

  20. Structure-based molecular simulations reveal the enhancement of biased Brownian motions in single-headed kinesin.

    Directory of Open Access Journals (Sweden)

    Ryo Kanada

    Full Text Available Kinesin is a family of molecular motors that move unidirectionally along microtubules (MT using ATP hydrolysis free energy. In the family, the conventional two-headed kinesin was experimentally characterized to move unidirectionally through "walking" in a hand-over-hand fashion by coordinated motions of the two heads. Interestingly a single-headed kinesin, a truncated KIF1A, still can generate a biased Brownian movement along MT, as observed by in vitro single molecule experiments. Thus, KIF1A must use a different mechanism from the conventional kinesin to achieve the unidirectional motions. Based on the energy landscape view of proteins, for the first time, we conducted a set of molecular simulations of the truncated KIF1A movements over an ATP hydrolysis cycle and found a mechanism exhibiting and enhancing stochastic forward-biased movements in a similar way to those in experiments. First, simulating stand-alone KIF1A, we did not find any biased movements, while we found that KIF1A with a large friction cargo-analog attached to the C-terminus can generate clearly biased Brownian movements upon an ATP hydrolysis cycle. The linked cargo-analog enhanced the detachment of the KIF1A from MT. Once detached, diffusion of the KIF1A head was restricted around the large cargo which was located in front of the head at the time of detachment, thus generating a forward bias of the diffusion. The cargo plays the role of a diffusional anchor, or cane, in KIF1A "walking."

  1. A Single-Batch Fermentation System to Simulate Human Colonic Microbiota for High-Throughput Evaluation of Prebiotics

    Science.gov (United States)

    Sasaki, Daisuke; Fukuda, Itsuko; Tanaka, Kosei; Yoshida, Ken-ichi; Kondo, Akihiko; Osawa, Ro

    2016-01-01

    We devised a single-batch fermentation system to simulate human colonic microbiota from fecal samples, enabling the complex mixture of microorganisms to achieve densities of up to 1011 cells/mL in 24 h. 16S rRNA gene sequence analysis of bacteria grown in the system revealed that representatives of the major phyla, including Bacteroidetes, Firmicutes, and Actinobacteria, as well as overall species diversity, were consistent with those of the original feces. On the earlier stages of fermentation (up to 9 h), trace mixtures of acetate, lactate, and succinate were detectable; on the later stages (after 24 h), larger amounts of acetate accumulated along with some of propionate and butyrate. These patterns were similar to those observed in the original feces. Thus, this system could serve as a simple model to simulate the diversity as well as the metabolism of human colonic microbiota. Supplementation of the system with several prebiotic oligosaccharides (including fructo-, galacto-, isomalto-, and xylo-oligosaccharides; lactulose; and lactosucrose) resulted in an increased population in genus Bifidobacterium, concomitant with significant increases in acetate production. The results suggested that this fermentation system may be useful for in vitro, pre-clinical evaluation of the effects of prebiotics prior to testing in humans. PMID:27483470

  2. Monte-Carlo-calculations for the simulation of channelling-experiments with V3Si-single-crystals

    International Nuclear Information System (INIS)

    Kaufmann, R.

    1978-05-01

    The results of channelling-investigations on single-crystals of A15-type structure, like e.g. V 3 Si, are not directly comparable to analytical model-calculations. Therefore the channelling-process was simulated in a Monte-Carlo-program on the basis of the binary-collision-model. The calculated values for the minimum yield, Chisub(min), and the critical angle, Psisub(1/2), were in good agreement with the results of experiments with 2 MeV- 4 He + -particles. The lattice damage in the range of 2,000 Angstroem at the surface after an irradiation with a fluence of 6 x 10 16 - 4 He + /cm 2 at 300 KeV could be explained by normally distributed static displacements of the V-atoms with a mean value of 0.05 A. The transverse damage structure after an irradiation with a fluence of 1.5 x 10 16 - 4 He + /cm 2 at 50 KeV could be simulated by a step profile of 50% displacements of the V-atoms with a maximum value of 0.5 Angstroem at the depth of the projected range. (orig./HPOE) [de

  3. Effect of Fuel on Performance of a Single Combustor of an I-16 Turbojet Engine at Simulated Altitude Conditions

    Science.gov (United States)

    Zettle, Eugene V; Bolz, Ray E; Dittrich, R T

    1947-01-01

    As part of a study of the effects of fuel composition on the combustor performance of a turbojet engine, an investigation was made in a single I-16 combustor with the standard I-16 injection nozzle, supplied by the engine manufacturer, at simulated altitude conditions. The 10 fuels investigated included hydrocarbons of the paraffin olefin, naphthene, and aromatic classes having a boiling range from 113 degrees to 655 degrees F. They were hot-acid octane, diisobutylene, methylcyclohexane, benzene, xylene, 62-octane gasoline, kerosene, solvent 2, and Diesel fuel oil. The fuels were tested at combustor conditions simulating I-16 turbojet operation at an altitude of 45,000 feet and at a rotor speed of 12,200 rpm. At these conditions the combustor-inlet air temperature, static pressure, and velocity were 60 degrees F., 12.3 inches of mercury absolute, and 112 feet per second respectively, and were held approximately constant for the investigation. The reproducibility of the data is shown by check runs taken each day during the investigation. The combustion in the exhaust elbow was visually observed for each fuel investigated.

  4. Measurement, modeling, and simulation of cryogenic SiGe HBT amplifier circuits for fast single spin readout

    Science.gov (United States)

    England, Troy; Curry, Matthew; Carr, Steve; Swartzentruber, Brian; Lilly, Michael; Bishop, Nathan; Carrol, Malcolm

    2015-03-01

    Fast, low-power quantum state readout is one of many challenges facing quantum information processing. Single electron transistors (SETs) are potentially fast, sensitive detectors for performing spin readout of electrons bound to Si:P donors. From a circuit perspective, however, their output impedance and nonlinear conductance are ill suited to drive the parasitic capacitance typical of coaxial conductors used in cryogenic environments, necessitating a cryogenic amplification stage. We will discuss calibration data, as well as modeling and simulation of cryogenic silicon-germanium (SiGe) heterojunction bipolar transistor (HBT) circuits connected to a silicon SET and operating at 4 K. We find a continuum of solutions from simple, single-HBT amplifiers to more complex, multi-HBT circuits suitable for integration, with varying noise levels and power vs. bandwidth tradeoffs. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000.

  5. Primitive-path statistics of entangled polymers: mapping multi-chain simulations onto single-chain mean-field models

    International Nuclear Information System (INIS)

    Steenbakkers, Rudi J A; Schieber, Jay D; Tzoumanekas, Christos; Li, Ying; Liu, Wing Kam; Kröger, Martin

    2014-01-01

    We present a method to map the full equilibrium distribution of the primitive-path (PP) length, obtained from multi-chain simulations of polymer melts, onto a single-chain mean-field ‘target’ model. Most previous works used the Doi–Edwards tube model as a target. However, the average number of monomers per PP segment, obtained from multi-chain PP networks, has consistently shown a discrepancy of a factor of two with respect to tube-model estimates. Part of the problem is that the tube model neglects fluctuations in the lengths of PP segments, the number of entanglements per chain and the distribution of monomers among PP segments, while all these fluctuations are observed in multi-chain simulations. Here we use a recently proposed slip-link model, which includes fluctuations in all these variables as well as in the spatial positions of the entanglements. This turns out to be essential to obtain qualitative and quantitative agreement with the equilibrium PP-length distribution obtained from multi-chain simulations. By fitting this distribution, we are able to determine two of the three parameters of the model, which govern its equilibrium properties. This mapping is executed for four different linear polymers and for different molecular weights. The two parameters are found to depend on chemistry, but not on molecular weight. The model predicts a constant plateau modulus minus a correction inversely proportional to molecular weight. The value for well-entangled chains, with the parameters determined ab initio, lies in the range of experimental data for the materials investigated. (paper)

  6. A particle-based model to simulate the micromechanics of single-plant parenchyma cells and aggregates

    International Nuclear Information System (INIS)

    Van Liedekerke, P; Tijskens, E; Smeedts, B; Ramon, H; Ghysels, P; Samaey, G; Roose, D

    2010-01-01

    This paper is concerned with addressing how plant tissue mechanics is related to the micromechanics of cells. To this end, we propose a mesh-free particle method to simulate the mechanics of both individual plant cells (parenchyma) and cell aggregates in response to external stresses. The model considers two important features in the plant cell: (1) the cell protoplasm, the interior liquid phase inducing hydrodynamic phenomena, and (2) the cell wall material, a viscoelastic solid material that contains the protoplasm. In this particle framework, the cell fluid is modeled by smoothed particle hydrodynamics (SPH), a mesh-free method typically used to address problems with gas and fluid dynamics. In the solid phase (cell wall) on the other hand, the particles are connected by pairwise interactions holding them together and preventing the fluid to penetrate the cell wall. The cell wall hydraulic conductivity (permeability) is built in as well through the SPH formulation. Although this model is also meant to be able to deal with dynamic and even violent situations (leading to cell wall rupture or cell–cell debonding), we have concentrated on quasi-static conditions. The results of single-cell compression simulations show that the conclusions found by analytical models and experiments can be reproduced at least qualitatively. Relaxation tests revealed that plant cells have short relaxation times (1 µs–10 µs) compared to mammalian cells. Simulations performed on cell aggregates indicated an influence of the cellular organization to the tissue response, as was also observed in experiments done on tissues with a similar structure

  7. Nonequilibrium process of self-gravitating N-body systems and quasi-equilibrium structure using normalized q-expectation values for Tsallis' generalized entropy

    International Nuclear Information System (INIS)

    Komatsu, Nobuyoshi; Kiwata, Takahiro; Kimura, Shigeo

    2010-01-01

    To clarify the nonequilibrium processes of self-gravitating systems, we examine a system enclosed in a spherical container with reflecting walls, by N-body simulations. To simulate nonequilibrium processes, we consider loss of energy through the reflecting wall, i.e., a particle reflected at a non-adiabatic wall is cooled to mimic energy loss. We also consider quasi-equilibrium structures of stellar polytropes to compare with the nonequilibrium process, where the quasi-equilibrium structure is obtained from an extremum-state of Tsallis' entropy. Consequently, we numerically show that, with increasing cooling rates, the dependence of the temperature on energy, i.e., the ε-T curve, varies from that of microcanonical ensembles (or isothermal spheres) to a common curve. The common curve appearing in the nonequilibrium process agrees well with an ε-T curve for a quasi-equilibrium structure of the stellar polytrope, especially for the polytrope index n ∼ 5. In fact, for n > 5, the stellar polytrope within an adiabatic wall exhibits gravothermal instability [Taruya, Sakagami, Physica A, 322 (2003) 285]. The present study indicates that the stellar polytrope with n ∼ 5 likely plays an important role in quasi-attractors of the nonequilibrium process in self-gravitating systems with non-adiabatic walls.

  8. Dynamics of the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface: Molecular dynamics simulations

    International Nuclear Information System (INIS)

    Barros de Oliveira, Alan; Fortini, Andrea; Buldyrev, Sergey V.; Srolovitz, David

    2011-01-01

    We study the dynamics of the contact between a pair of surfaces (with properties designed to mimic ruthenium) via molecular dynamics simulations. In particular, we study the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface. The results of such simulations suggest that contact behavior is highly variable. The goal of this study is to investigate the source and degree of this variability. We find that during compression, the behavior of the contact force displacement curves is reproducible, while during contact separation, the behavior is highly variable. Examination of the contact surfaces suggests that two separation mechanisms are in operation and give rise to this variability. One mechanism corresponds to the formation of a bridge between the two surfaces that plastically stretches as the surfaces are drawn apart and eventually separate in shear. This leads to a morphology after separation in which there are opposing asperities on the two surfaces. This plastic separation/bridge formation mechanism leads to a large work of separation. The other mechanism is a more brittle-like mode in which a crack propagates across the base of the asperity (slightly below the asperity/substrate junction) leading to most of the asperity on one surface or the other after separation and a slight depression facing this asperity on the opposing surface. This failure mode corresponds to a smaller work of separation. This failure mode corresponds to a smaller work of separation. Furthermore, contacts made from materials that exhibit predominantly brittle-like behavior will tend to require lower work of separation than those made from ductile-like contact materials.

  9. Classification of Single-Trial Auditory Events Using Dry-Wireless EEG During Real and Motion Simulated Flight

    Directory of Open Access Journals (Sweden)

    Daniel eCallan

    2015-02-01

    Full Text Available Application of neuro-augmentation technology based on dry-wireless EEG may be considerably beneficial for aviation and space operations because of the inherent dangers involved. In this study we evaluate classification performance of perceptual events using a dry-wireless EEG system during motion platform based flight simulation and actual flight in an open cockpit biplane to determine if the system can be used in the presence of considerable environmental and physiological artifacts. A passive task involving 200 random auditory presentations of a chirp sound was used for evaluation. The advantage of this auditory task is that it does not interfere with the perceptual motor processes involved with piloting the plane. Classification was based on identifying the presentation of a chirp sound versus silent periods. Evaluation of Independent component analysis and Kalman filtering to enhance classification performance by extracting brain activity related to the auditory event from other non-task related brain activity and artifacts was assessed. The results of permutation testing revealed that single trial classification of presence or absence of an auditory event was significantly above chance for all conditions on a novel test set. The best performance could be achieved with both ICA and Kalman filtering relative to no processing: Platform Off (83.4% vs 78.3%, Platform On (73.1% vs 71.6%, Biplane Engine Off (81.1% vs 77.4%, and Biplane Engine On (79.2% vs 66.1%. This experiment demonstrates that dry-wireless EEG can be used in environments with considerable vibration, wind, acoustic noise, and physiological artifacts and achieve good single trial classification performance that is necessary for future successful application of neuro-augmentation technology based on brain-machine interfaces.

  10. Intramolecular structures in a single copolymer chain consisting of flexible and semiflexible blocks: Monte Carlo simulation of a lattice model

    International Nuclear Information System (INIS)

    Martemyanova, Julia A; Ivanov, Victor A; Paul, Wolfgang

    2014-01-01

    We study conformational properties of a single multiblock copolymer chain consisting of flexible and semiflexible blocks. Monomer units of different blocks are equivalent in the sense of the volume interaction potential, but the intramolecular bending potential between successive bonds along the chain is different. We consider a single flexible-semiflexible regular multiblock copolymer chain with equal content of flexible and semiflexible units and vary the length of the blocks and the stiffness parameter. We perform flat histogram type Monte Carlo simulations based on the Wang-Landau approach and employ the bond fluctuation lattice model. We present here our data on different non-trivial globular morphologies which we have obtained in our model for different values of the block length and the stiffness parameter. We demonstrate that the collapse can occur in one or in two stages depending on the values of both these parameters and discuss the role of the inhomogeneity of intraglobular distributions of monomer units of both flexible and semiflexible blocks. For short block length and/or large stiffness the collapse occurs in two stages, because it goes through intermediate (meta-)stable structures, like a dumbbell shaped conformation. In such conformations the semiflexible blocks form a cylinder-like core, and the flexible blocks form two domains at both ends of such a cylinder. For long block length and/or small stiffness the collapse occurs in one stage, and in typical conformations the flexible blocks form a spherical core of a globule while the semiflexible blocks are located on the surface and wrap around this core.

  11. Species trees from consensus single nucleotide polymorphism (SNP) data: Testing phylogenetic approaches with simulated and empirical data.

    Science.gov (United States)

    Schmidt-Lebuhn, Alexander N; Aitken, Nicola C; Chuah, Aaron

    2017-11-01

    Datasets of hundreds or thousands of SNPs (Single Nucleotide Polymorphisms) from multiple individuals per species are increasingly used to study population structure, species delimitation and shallow phylogenetics. The principal software tool to infer species or population trees from SNP data is currently the BEAST template SNAPP which uses a Bayesian coalescent analysis. However, it is computationally extremely demanding and tolerates only small amounts of missing data. We used simulated and empirical SNPs from plants (Australian Craspedia, Asteraceae, and Pelargonium, Geraniaceae) to compare species trees produced (1) by SNAPP, (2) using SVD quartets, and (3) using Bayesian and parsimony analysis with several different approaches to summarising data from multiple samples into one set of traits per species. Our aims were to explore the impact of tree topology and missing data on the results, and to test which data summarising and analyses approaches would best approximate the results obtained from SNAPP for empirical data. SVD quartets retrieved the correct topology from simulated data, as did SNAPP except in the case of a very unbalanced phylogeny. Both methods failed to retrieve the correct topology when large amounts of data were missing. Bayesian analysis of species level summary data scoring the two alleles of each SNP as independent characters and parsimony analysis of data scoring each SNP as one character produced trees with branch length distributions closest to the true trees on which SNPs were simulated. For empirical data, Bayesian inference and Dollo parsimony analysis of data scored allele-wise produced phylogenies most congruent with the results of SNAPP. In the case of study groups divergent enough for missing data to be phylogenetically informative (because of additional mutations preventing amplification of genomic fragments or bioinformatic establishment of homology), scoring of SNP data as a presence/absence matrix irrespective of allele

  12. Single-Column Model Simulations of Subtropical Marine Boundary-Layer Cloud Transitions Under Weakening Inversions: SCM SIMULATIONS OF CLOUD TRANSITIONS

    Energy Technology Data Exchange (ETDEWEB)

    Neggers, R. A. J. [Institute for Geophysics and Meteorology, Department of Geosciences, University of Cologne, Cologne Germany; Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Ackerman, A. S. [NASA Goddard Institute for Space Studies, New York NY USA; Angevine, W. M. [CIRES, University of Colorado, Boulder CO USA; NOAA Earth System Research Laboratory, Boulder CO USA; Bazile, E. [Météo France/CNRM, Toulouse France; Beau, I. [Météo France/ENM, Toulouse France; Blossey, P. N. [Department of Atmospheric Sciences, University of Washington, Seattle WA USA; Boutle, I. A. [Met Office, Exeter UK; de Bruijn, C. [Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Cheng, A. [NOAA Center for Weather and Climate Prediction, Environmental Modeling Center, College Park MD USA; van der Dussen, J. [Department of Geoscience and Remote Sensing, Delft University of Technology, Delft The Netherlands; Fletcher, J. [Department of Atmospheric Sciences, University of Washington, Seattle WA USA; University of Leeds, Leeds UK; Dal Gesso, S. [Institute for Geophysics and Meteorology, Department of Geosciences, University of Cologne, Cologne Germany; Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Jam, A. [Météo-France/CNRM & CNRS/IPSL/LMD, Toulouse France; Kawai, H. [Meteorological Research Institute, Climate Research Department, Japan Meteorological Agency, Tsukuba Japan; Cheedela, S. K. [Department of Atmosphere in the Earth System, Max-Planck Institut für Meteorologie, Hamburg Germany; Larson, V. E. [Department of Mathematical Sciences, University of Wisconsin-Milwaukee, Milwaukee WI USA; Lefebvre, M. -P. [Météo-France/CNRM & CNRS/IPSL/LMD, Toulouse France; Lock, A. P. [Met Office, Exeter UK; Meyer, N. R. [Department of Mathematical Sciences, University of Wisconsin-Milwaukee, Milwaukee WI USA; de Roode, S. R. [Department of Geoscience and Remote Sensing, Delft University of Technology, Delft The Netherlands; de Rooy, W. [Royal Netherlands Meteorological Institute, De Bilt The Netherlands; Sandu, I. [Section of Physical Aspects, European Centre for Medium-Range Weather Forecasts, Reading UK; Xiao, H. [University of California at Los Angeles, Los Angeles CA USA; Pacific Northwest National Laboratory, Richland WA USA; Xu, K. -M. [NASA Langley Research Centre, Hampton VI USA

    2017-10-01

    Results are presented of the GASS/EUCLIPSE single-column model inter-comparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate mod- els for this cloud regime, using large-eddy simulations of the same scenes as a reference. A novelty is that the comparison covers four different cases instead of one, in order to broaden the covered parameter space. Three cases are situated in the North-Eastern Pa- cific, while one reflects conditions in the North-Eastern Atlantic. A set of variables is considered that reflects key aspects of the transition process, making use of simple met- rics to establish the model performance. Using this method some longstanding problems in low level cloud representation are identified. Considerable spread exists among models concerning the cloud amount, its vertical structure and the associated impact on radia- tive transfer. The sign and amplitude of these biases differ somewhat per case, depending on how far the transition has progressed. After cloud breakup the ensemble median ex- hibits the well-known “too few too bright” problem. The boundary layer deepening rate and its state of decoupling are both underestimated, while the representation of the thin capping cloud layer appears complicated by a lack of vertical resolution. Encouragingly, some models are successful in representing the full set of variables, in particular the verti- cal structure and diurnal cycle of the cloud layer in transition. An intriguing result is that the median of the model ensemble performs best, inspiring a new approach in subgrid pa- rameterization.

  13. A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems

    Science.gov (United States)

    Gothandaraman, Akila; Peterson, Gregory D.; Warren, G. Lee; Hinde, Robert J.; Harrison, Robert J.

    2009-12-01

    Interest in the study of structural and energetic properties of highly quantum clusters, such as inert gas clusters has motivated the development of a hardware-accelerated framework for Quantum Monte Carlo simulations. In the Quantum Monte Carlo method, the properties of a system of atoms, such as the ground-state energies, are averaged over a number of iterations. Our framework is aimed at accelerating the computations in each iteration of the QMC application by offloading the calculation of properties, namely energy and trial wave function, onto reconfigurable hardware. This gives a user the capability to run simulations for a large number of iterations, thereby reducing the statistical uncertainty in the properties, and for larger clusters. This framework is designed to run on the Cray XD1 high performance reconfigurable computing platform, which exploits the coarse-grained parallelism of the processor along with the fine-grained parallelism of the reconfigurable computing devices available in the form of field-programmable gate arrays. In this paper, we illustrate the functioning of the framework, which can be used to calculate the energies for a model cluster of helium atoms. In addition, we present the capabilities of the framework that allow the user to vary the chemical identities of the simulated atoms. Program summaryProgram title: Hardware Accelerated Quantum Monte Carlo (HAQMC) Catalogue identifier: AEEP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEP_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 691 537 No. of bytes in distributed program, including test data, etc.: 5 031 226 Distribution format: tar.gz Programming language: C/C++ for the QMC application, VHDL and Xilinx 8.1 ISE/EDK tools for FPGA design and development Computer: Cray XD

  14. Simulation

    DEFF Research Database (Denmark)

    Gould, Derek A; Chalmers, Nicholas; Johnson, Sheena J

    2012-01-01

    Recognition of the many limitations of traditional apprenticeship training is driving new approaches to learning medical procedural skills. Among simulation technologies and methods available today, computer-based systems are topical and bring the benefits of automated, repeatable, and reliable p...... performance assessments. Human factors research is central to simulator model development that is relevant to real-world imaging-guided interventional tasks and to the credentialing programs in which it would be used....

  15. Single-phase coolant flow CFD simulations inside the CANDU channel for the 37 and the 43 elements bundles

    International Nuclear Information System (INIS)

    Pauna, E.; Olteanu, G.; Catana, A.

    2013-01-01

    In this paper, a Computation Fluid Dynamics (CFD) simulation was performed in order to find the flow conditions in the CANDU Channel for the standard (37 elements) and the new designed bundle (43 elements) using the CFD Code S aturne software. Due to the fact that the code is a single-phase one it was considered an inlet temperature of 250 O C, a flow rate of 24.17 kg/s, an outlet pressure of 10.3 MPa and a linear power of 800 kW/m. The flow conditions were achieved by using a CFD typical chain of steps which was performed starting from preprocessing (geometry, mesh and boundary conditions), through solver and post-processing. Open Source platform (Salome-Meca geometry and mesh modules, the Code S aturne solver, Paraview and Visit for post-processing) were used as computational tool kit and an unsteady state was considered. Some simplifications were considered: the tube creep was not taken into account and all the bundles were considered aligned. The three dimensional thermal-hydraulic distributions of the temperature, pressure and velocity parameters offered information for the geometry comparison and the results were in agreement with some experimental data. CFD analysis results provided valuable data regarding the thermal-hydraulic operating conditions inside the CANDU reactor channel. (authors)

  16. Atomistic simulations on the axial nanowelding configuration and contact behavior between Ag nanowire and single-walled carbon nanotubes

    International Nuclear Information System (INIS)

    Cui, Jianlei; Zhang, Jianwei; He, Xiaoqiao; Yang, Xinjun; Mei, Xuesong; Wang, Wenjun; Jiang, Gedong; Wang, Kedian; Yang, Lijun; Xie, Hui

    2017-01-01

    As for the interesting new building blocks, the Ag nanowires (AgNWs) and single-walled carbon nanotubes (SWNTs) as the interesting new building blocks are viewed as the promising candidates for the next-generation interconnects due to their most remarkable electrical, thermal, optical, mechanical, and other properties. The axial nanowelding of head-to-head style and side-to-side style is relatively simulated with the molecular dynamics method. As for the head-to-head structural style, SWNTs will move toward the AgNWs and contact with the head of AgNWs. And, the part of the Ag nanowire may be subsequently encapsulated in SWNT with the core-filling Ag atom chain as the final atomic contact configuration during nanowelding, which is related to the nanowelding temperature. When the SWNTs and AgNWs are arranged by the side-to-side contact style, the SWNTs will move along the SWNT surface and may eventually catch up with the AgNW being neck and neck. Aiming at the final axial atomic configurations and the contact behavior during nanowelding process, the related dominant mechanism is revealed in this paper.

  17. Atomistic simulations on the axial nanowelding configuration and contact behavior between Ag nanowire and single-walled carbon nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Jianlei, E-mail: cjlxjtu@mail.xjtu.edu.cn; Zhang, Jianwei [Xi’an Jiaotong University, State Key Laboratory for Manufacturing Systems Engineering (China); He, Xiaoqiao, E-mail: bcxqhe@cityu.edu.hk [City University of Hong Kong, Department of Architecture and Civil Engineering (Hong Kong); Yang, Xinjun [Fudan University, State Key Laboratory of Surface Physics and Department of Physics (China); Mei, Xuesong; Wang, Wenjun; Jiang, Gedong; Wang, Kedian [Xi’an Jiaotong University, State Key Laboratory for Manufacturing Systems Engineering (China); Yang, Lijun; Xie, Hui [Harbin Institute of Technology, State Key Laboratory of Robotics and Systems (China)

    2017-03-15

    As for the interesting new building blocks, the Ag nanowires (AgNWs) and single-walled carbon nanotubes (SWNTs) as the interesting new building blocks are viewed as the promising candidates for the next-generation interconnects due to their most remarkable electrical, thermal, optical, mechanical, and other properties. The axial nanowelding of head-to-head style and side-to-side style is relatively simulated with the molecular dynamics method. As for the head-to-head structural style, SWNTs will move toward the AgNWs and contact with the head of AgNWs. And, the part of the Ag nanowire may be subsequently encapsulated in SWNT with the core-filling Ag atom chain as the final atomic contact configuration during nanowelding, which is related to the nanowelding temperature. When the SWNTs and AgNWs are arranged by the side-to-side contact style, the SWNTs will move along the SWNT surface and may eventually catch up with the AgNW being neck and neck. Aiming at the final axial atomic configurations and the contact behavior during nanowelding process, the related dominant mechanism is revealed in this paper.

  18. Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation.

    Science.gov (United States)

    Sidler, Dominik; Schwaninger, Arthur; Riniker, Sereina

    2016-10-21

    In molecular dynamics (MD) simulations, free-energy differences are often calculated using free energy perturbation or thermodynamic integration (TI) methods. However, both techniques are only suited to calculate free-energy differences between two end states. Enveloping distribution sampling (EDS) presents an attractive alternative that allows to calculate multiple free-energy differences in a single simulation. In EDS, a reference state is simulated which "envelopes" the end states. The challenge of this methodology is the determination of optimal reference-state parameters to ensure equal sampling of all end states. Currently, the automatic determination of the reference-state parameters for multiple end states is an unsolved issue that limits the application of the methodology. To resolve this, we have generalised the replica-exchange EDS (RE-EDS) approach, introduced by Lee et al. [J. Chem. Theory Comput. 10, 2738 (2014)] for constant-pH MD simulations. By exchanging configurations between replicas with different reference-state parameters, the complexity of the parameter-choice problem can be substantially reduced. A new robust scheme to estimate the reference-state parameters from a short initial RE-EDS simulation with default parameters was developed, which allowed the calculation of 36 free-energy differences between nine small-molecule inhibitors of phenylethanolamine N-methyltransferase from a single simulation. The resulting free-energy differences were in excellent agreement with values obtained previously by TI and two-state EDS simulations.

  19. A nearly-linear computational-cost scheme for the forward dynamics of an N-body pendulum

    Science.gov (United States)

    Chou, Jack C. K.

    1989-01-01

    The dynamic equations of motion of an n-body pendulum with spherical joints are derived to be a mixed system of differential and algebraic equations (DAE's). The DAE's are kept in implicit form to save arithmetic and preserve the sparsity of the system and are solved by the robust implicit integration method. At each solution point, the predicted solution is corrected to its exact solution within given tolerance using Newton's iterative method. For each iteration, a linear system of the form J delta X = E has to be solved. The computational cost for solving this linear system directly by LU factorization is O(n exp 3), and it can be reduced significantly by exploring the structure of J. It is shown that by recognizing the recursive patterns and exploiting the sparsity of the system the multiplicative and additive computational costs for solving J delta X = E are O(n) and O(n exp 2), respectively. The formulation and solution method for an n-body pendulum is presented. The computational cost is shown to be nearly linearly proportional to the number of bodies.

  20. Systems with N correlated fermions. Mean-field models for nuclear structures and other N-body systems

    International Nuclear Information System (INIS)

    Grasso, M.

    2009-10-01

    This document is a summary of the author's research activities whose common topic is the N-body problem. The first chapter introduces the N-body issue through models based on the mean-field theory and on the Hartree-Fock-Bogoliubov equations. The second chapter presents the understanding of exotic nuclei features within the mean-field approach. Exotic phenomena like nuclear bubble structure, pairing correlations and pairing violations, giant neutron halos, non-standard terms in the Skyrme interactions are reviewed. The chapter 3 is dedicated to some extensions of the RPA (random phase approximation). For instance the computation of the shell structure far from the stability valley requires a more accurate assessment of the energy of the individual states through the introduction of a particle-vibration coupling. Different RPA extensions are described: first the self-consistent extension enlarged beyond particle-hole configurations, then the boson-mapping-based extension in a 3-level Lipkin model and also the second random-phase approximation. The chapter 4 gathers some studies concerning ultra-cold gases of trapped atoms. These systems are the only structures that allow the study of the correlations associated to superfluidity in terms of interaction intensity, temperature or system size. The mean-field approach is adequate for these studies. The last chapter draws a perspective for the mean-field-based models, their limits are assessed and ways of improvement are proposed. (A.C.)

  1. Simulation

    CERN Document Server

    Ross, Sheldon

    2006-01-01

    Ross's Simulation, Fourth Edition introduces aspiring and practicing actuaries, engineers, computer scientists and others to the practical aspects of constructing computerized simulation studies to analyze and interpret real phenomena. Readers learn to apply results of these analyses to problems in a wide variety of fields to obtain effective, accurate solutions and make predictions about future outcomes. This text explains how a computer can be used to generate random numbers, and how to use these random numbers to generate the behavior of a stochastic model over time. It presents the statist

  2. Simulation investigation of thermal phase transformation and residual stress in single pulse EDM of Ti-6Al-4V

    Science.gov (United States)

    Tang, Jiajing; Yang, Xiaodong

    2018-04-01

    The thermal phase transformation and residual stress are ineluctable in the electrical discharge machining (EDM) process, and they will greatly affect the working performances of the machined surface. This paper presents a simulation study on the thermal phase transformation and residual stress in single-pulse EDM of Ti-6Al-4V, which is the most popular titanium alloy in fields such as aircraft engine and some other leading industries. A multi-physics model including thermal, hydraulic, metallography and structural mechanics was developed. Based on the proposed model, the thickness and metallographic structure of the recast layer and heat affected layer (HAZ) were investigated. The distribution and characteristics of residual stress around the discharge crater were obtained. The recast layer and HAZ at the center of crater are found to be the thinnest, and their thicknesses gradually increase approaching the periphery of the crater. The recast layer undergoes a complete α‧ (martensitic) transformation, while the HAZ is mainly composed by the α  +  β  +  α‧ three-phase microstructure. Along the depth direction of crater, the Von Mises stress increases first and then decreases, reaching its maximal value near the interface of recast layer and HAZ. In the recast layer, both compressive stress component and tensile stress component are observed. ANOVA results showed that the influence of discharge current on maximal tensile stress is more significant than that of pulse duration, while the pulse duration has more significant influence on average thickness of the recast layer and the depth location of the maximal tensile stress. The works conducted in this study will help to evaluate the quality and integrity of EDMed surface, especially when the non-destructive testing is difficult to achieve.

  3. Comparing three CPR feedback devices and standard BLS in a single rescuer scenario: a randomised simulation study.

    Science.gov (United States)

    Zapletal, Bernhard; Greif, Robert; Stumpf, Dominik; Nierscher, Franz Josef; Frantal, Sophie; Haugk, Moritz; Ruetzler, Kurt; Schlimp, Christoph; Fischer, Henrik

    2014-04-01

    Efficiently performed basic life support (BLS) after cardiac arrest is proven to be effective. However, cardiopulmonary resuscitation (CPR) is strenuous and rescuers' performance declines rapidly over time. Audio-visual feedback devices reporting CPR quality may prevent this decline. We aimed to investigate the effect of various CPR feedback devices on CPR quality. In this open, prospective, randomised, controlled trial we compared three CPR feedback devices (PocketCPR, CPRmeter, iPhone app PocketCPR) with standard BLS without feedback in a simulated scenario. 240 trained medical students performed single rescuer BLS on a manikin for 8min. Effective compression (compressions with correct depth, pressure point and sufficient decompression) as well as compression rate, flow time fraction and ventilation parameters were compared between the four groups. Study participants using the PocketCPR performed 17±19% effective compressions compared to 32±28% with CPRmeter, 25±27% with the iPhone app PocketCPR, and 35±30% applying standard BLS (PocketCPR vs. CPRmeter p=0.007, PocketCPR vs. standard BLS p=0.001, others: ns). PocketCPR and CPRmeter prevented a decline in effective compression over time, but overall performance in the PocketCPR group was considerably inferior to standard BLS. Compression depth and rate were within the range recommended in the guidelines in all groups. While we found differences between the investigated CPR feedback devices, overall BLS quality was suboptimal in all groups. Surprisingly, effective compression was not improved by any CPR feedback device compared to standard BLS. All feedback devices caused substantial delay in starting CPR, which may worsen outcome. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  4. Intercomparison of model simulations of mixed-phase clouds observed during the ARM Mixed-Phase Arctic Cloud Experiment. Part I: Single layer cloud

    Energy Technology Data Exchange (ETDEWEB)

    Klein, S A; McCoy, R B; Morrison, H; Ackerman, A; Avramov, A; deBoer, G; Chen, M; Cole, J; DelGenio, A; Golaz, J; Hashino, T; Harrington, J; Hoose, C; Khairoutdinov, M; Larson, V; Liu, X; Luo, Y; McFarquhar, G; Menon, S; Neggers, R; Park, S; Poellot, M; von Salzen, K; Schmidt, J; Sednev, I; Shipway, B; Shupe, M; Spangenberg, D; Sud, Y; Turner, D; Veron, D; Falk, M; Foster, M; Fridlind, A; Walker, G; Wang, Z; Wolf, A; Xie, S; Xu, K; Yang, F; Zhang, G

    2008-02-27

    Results are presented from an intercomparison of single-column and cloud-resolving model simulations of a cold-air outbreak mixed-phase stratocumulus cloud observed during the Atmospheric Radiation Measurement (ARM) program's Mixed-Phase Arctic Cloud Experiment. The observed cloud occurred in a well-mixed boundary layer with a cloud top temperature of -15 C. The observed liquid water path of around 160 g m{sup -2} was about two-thirds of the adiabatic value and much greater than the mass of ice crystal precipitation which when integrated from the surface to cloud top was around 15 g m{sup -2}. The simulations were performed by seventeen single-column models (SCMs) and nine cloud-resolving models (CRMs). While the simulated ice water path is generally consistent with the observed values, the median SCM and CRM liquid water path is a factor of three smaller than observed. Results from a sensitivity study in which models removed ice microphysics indicate that in many models the interaction between liquid and ice-phase microphysics is responsible for the large model underestimate of liquid water path. Despite this general underestimate, the simulated liquid and ice water paths of several models are consistent with the observed values. Furthermore, there is some evidence that models with more sophisticated microphysics simulate liquid and ice water paths that are in better agreement with the observed values, although considerable scatter is also present. Although no single factor guarantees a good simulation, these results emphasize the need for improvement in the model representation of mixed-phase microphysics. This case study, which has been well observed from both aircraft and ground-based remote sensors, could be a benchmark for model simulations of mixed-phase clouds.

  5. MOCCA-SURVEY Database. I. Eccentric Black Hole Mergers during Binary–Single Interactions in Globular Clusters

    Science.gov (United States)

    Samsing, Johan; Askar, Abbas; Giersz, Mirek

    2018-03-01

    We estimate the population of eccentric gravitational wave (GW) binary black hole (BBH) mergers forming during binary–single interactions in globular clusters (GCs), using ∼800 GC models that were evolved using the MOCCA code for star cluster simulations as part of the MOCCA-Survey Database I project. By re-simulating BH binary–single interactions extracted from this set of GC models using an N-body code that includes GW emission at the 2.5 post-Newtonian level, we find that ∼10% of all the BBHs assembled in our GC models that merge at present time form during chaotic binary–single interactions, and that about half of this sample have an eccentricity >0.1 at 10 Hz. We explicitly show that this derived rate of eccentric mergers is ∼100 times higher than one would find with a purely Newtonian N-body code. Furthermore, we demonstrate that the eccentric fraction can be accurately estimated using a simple analytical formalism when the interacting BHs are of similar mass, a result that serves as the first successful analytical description of eccentric GW mergers forming during three-body interactions in realistic GCs.

  6. Intercomparison of model simulations of mixed-phase clouds observed during the ARM Mixed-Phase Arctic Cloud Experiment. Part I: Single layer cloud

    Energy Technology Data Exchange (ETDEWEB)

    Klein, Stephen A.; McCoy, Renata B.; Morrison, Hugh; Ackerman, Andrew S.; Avramov, Alexander; de Boer, Gijs; Chen, Mingxuan; Cole, Jason N.S.; Del Genio, Anthony D.; Falk, Michael; Foster, Michael J.; Fridlind, Ann; Golaz, Jean-Christophe; Hashino, Tempei; Harrington, Jerry Y.; Hoose, Corinna; Khairoutdinov, Marat F.; Larson, Vincent E.; Liu, Xiaohong; Luo, Yali; McFarquhar, Greg M.; Menon, Surabi; Neggers, Roel A. J.; Park, Sungsu; Poellot, Michael R.; Schmidt, Jerome M.; Sednev, Igor; Shipway, Ben J.; Shupe, Matthew D.; Spangenberg, Douglas A.; Sud, Yogesh C.; Turner, David D.; Veron, Dana E.; von Salzen, Knut; Walker, Gregory K.; Wang, Zhien; Wolf, Audrey B.; Xie, Shaocheng; Xu, Kuan-Man; Yang, Fanglin; Zhang, Gong

    2009-02-02

    Results are presented from an intercomparison of single-column and cloud-resolving model simulations of a cold-air outbreak mixed-phase stratocumulus cloud observed during the Atmospheric Radiation Measurement (ARM) program's Mixed-Phase Arctic Cloud Experiment. The observed cloud occurred in a well-mixed boundary layer with a cloud top temperature of -15 C. The observed average liquid water path of around 160 g m{sup -2} was about two-thirds of the adiabatic value and much greater than the average mass of ice crystal precipitation which when integrated from the surface to cloud top was around 15 g m{sup -2}. The simulations were performed by seventeen single-column models (SCMs) and nine cloud-resolving models (CRMs). While the simulated ice water path is generally consistent with the observed values, the median SCM and CRM liquid water path is a factor of three smaller than observed. Results from a sensitivity study in which models removed ice microphysics suggest that in many models the interaction between liquid and ice-phase microphysics is responsible for the large model underestimate of liquid water path. Despite this general underestimate, the simulated liquid and ice water paths of several models are consistent with the observed values. Furthermore, there is evidence that models with more sophisticated microphysics simulate liquid and ice water paths that are in better agreement with the observed values, although considerable scatter is also present. Although no single factor guarantees a good simulation, these results emphasize the need for improvement in the model representation of mixed-phase microphysics.

  7. Unit-cell design for two-dimensional phase-field simulation of microstructure evolution in single-crystal Ni-based superalloys during solidification

    Directory of Open Access Journals (Sweden)

    Dongjia Cao

    2017-12-01

    Full Text Available Phase-field simulation serves as an effective tool for quantitative characterization of microstructure evolution in single-crystal Ni-based superalloys during solidification nowadays. The classic unit cell is either limited to γ dendrites along crystal orientation or too ideal to cover complex morphologies for γ dendrites. An attempt to design the unit cell for two-dimensional (2-D phase-field simulations of microstructure evolution in single-crystal Ni-based superalloys during solidification was thus performed by using the MICRESS (MICRostructure Evolution Simulation Software in the framework of the multi-phase-field (MPF model, and demonstrated in a commercial TMS-113 superalloy. The coupling to CALPHAD (CALculation of PHAse Diagram thermodynamic database was realized via the TQ interface and the experimental diffusion coefficients were utilized in the simulation. Firstly, the classic unit cell with a single γ dendrite along crystal orientation was employed for the phase-field simulation in order to reproduce the microstructure features. Then, such simple unit cell was extended into the cases with two other different crystal orientations, i.e., and . Thirdly, for crystal orientations, the effect of γ dendritic orientations and unit cell sizes on microstructure and microsegregation was comprehensively studied, from which a new unit cell with multiple γ dendrites was proposed. The phase-field simulation with the newly proposed unit cell was further performed in the TMS-113 superalloy, and the microstructure features including the competitive growth of γ dendrites, microsegregation of different solutes and distribution of γ′ grains, can be nicely reproduced.

  8. Numerical Simulation of a Single-Phase Closed-Loop Thermo-Siphon in LORELEI Test Device

    International Nuclear Information System (INIS)

    Gitelman, D.; Shenha, H.; Gonnier, Ch.; Tarabelli, D.; Sasson, A.; Weiss, Y.; Katz, M.

    2014-01-01

    The LORELEI experimental setup in the Jules Horowitz Reactor (JHR) is dedicated for the study of fuel during a Loss of Coolant Accident (LOCA). The main objective of the LORELEI(2) (Light-Water One-Rod Equipment for LOCA Experimental Investigation) is to study the thermal-mechanical behavior of fuel during such an accident and to produce a short half-life fission products source term. In order to study those phenomena, the fuel sample will experience a transient neutron flux field, which in turn will generate a Linear Heat Generation Rate (LHGR) and determine the temperature of the fuel and its cladding, simulating the behavior of the fuel and the cladding during a LOCA accident. In order to reproduce a LOCA-type transient sequence, the experimental test device will be located on a displacement device. The displacement device moves the test device in the flux field in order to generate a representing LHGR in the fuel or temperature of its cladding. The LOCA-type transient sequence has four major features: „h An adiabatic heating of the fuel up to the ballooning and burst occurrence. „h High temperature plateau which will promote clad oxidation. „h Passive precooling by thermal inertia. „h Water re-flooding and quenching. The challenge in the thermo-hydraulic design of the LORELEI test section is in defining a one closed water capsule design that can operate as a thermo-siphon at re-irradiation phase and also can reproduce all LOCA-type transient sequence phases. This design should be validated and verified to fill all safety and regulation requirements. This work aims to investigate fluid flow behavior of a single-phase thermo-siphon in the LORELEI test device, as part of the conceptual design and optimization study. The complexity of the flow field in the LORELEI test device, as a closed-loop thermo-siphon, is due to the opposing forces in the device - buoyancy forces and natural convection flow generated (mainly) by the fuel power in the hot channel

  9. Effects of single nucleotide polymorphisms on human N-acetyltransferase 2 structure and dynamics by molecular dynamics simulation.

    Directory of Open Access Journals (Sweden)

    M Rajasekaran

    Full Text Available BACKGROUND: Arylamine N-acetyltransferase 2 (NAT2 is an important catalytic enzyme that metabolizes the carcinogenic arylamines, hydrazine drugs and chemicals. This enzyme is highly polymorphic in different human populations. Several polymorphisms of NAT2, including the single amino acid substitutions R64Q, I114T, D122N, L137F, Q145P, R197Q, and G286E, are classified as slow acetylators, whereas the wild-type NAT2 is classified as a fast acetylator. The slow acetylators are often associated with drug toxicity and efficacy as well as cancer susceptibility. The biological functions of these 7 mutations have previously been characterized, but the structural basis behind the reduced catalytic activity and reduced protein level is not clear. METHODOLOGY/PRINCIPAL FINDINGS: We performed multiple molecular dynamics simulations of these mutants as well as NAT2 to investigate the structural and dynamical effects throughout the protein structure, specifically the catalytic triad, cofactor binding site, and the substrate binding pocket. None of these mutations induced unfolding; instead, their effects were confined to the inter-domain, domain 3 and 17-residue insert region, where the flexibility was significantly reduced relative to the wild-type. Structural effects of these mutations propagate through space and cause a change in catalytic triad conformation, cofactor binding site, substrate binding pocket size/shape and electrostatic potential. CONCLUSIONS/SIGNIFICANCE: Our results showed that the dynamical properties of all the mutant structures, especially in inter-domain, domain 3 and 17-residue insert region were affected in the same manner. Similarly, the electrostatic potential of all the mutants were altered and also the functionally important regions such as catalytic triad, cofactor binding site, and substrate binding pocket adopted different orientation and/or conformation relative to the wild-type that may affect the functions of the mutants

  10. Longitudinal effects of single-dose simulation education with structured debriefing and verbal feedback on endotracheal suctioning knowledge and skills: A randomized controlled trial.

    Science.gov (United States)

    Jansson, Miia M; Syrjälä, Hannu P; Ohtonen, Pasi P; Meriläinen, Merja H; Kyngäs, Helvi A; Ala-Kokko, Tero I

    2017-01-01

    We evaluated the longitudinal effects of single-dose simulation education with structured debriefing and verbal feedback on critical care nurses' endotracheal suctioning knowledge and skills. To do this we used an experimental design without other competing intervention. Twenty-four months after simulation education, no significant time and group differences or time × group interactions were identified between the study groups. The need for regularly repeated educational interventions with audiovisual or individualized performance feedback and repeated bedside demonstrations is evident. Copyright © 2017 Association for Professionals in Infection Control and Epidemiology, Inc. Published by Elsevier Inc. All rights reserved.

  11. Simulation Research of Magnetically-coupled Resonant Wireless Power Transfer System with Single Intermediate Coil Resonator Based on S Parameters Using ANSYS

    Directory of Open Access Journals (Sweden)

    Liu Cheng

    2016-01-01

    Full Text Available ANSYS can be a powerful tool to simulate the process of energy exchange in magnetically-coupled resonant wireless power transfer system. In this work, the MCR-WPT system with single intermediate coil resonator is simulated and researched based on scattering parameters using ANSYS Electromagnetics. The change rule of power transfer efficiency is reflected intuitively through the scattering parameters. A new method of calculating the coupling coefficient is proposed. A cascaded 2-port network model using scattering parameters is adopted to research the efficiency of transmission. By changing the relative position and the number of turns of the intermediate coil, we find some factors affecting the efficiency of transmission. Methods and principles of designing the MCR-WPT system with single intermediate coil resonator are obtained. And these methods have practical value with design and optimization of system efficiency.

  12. Measurements and simulations on position dependencies in the response of single PWO crystals and a prototype for the PANDA EMC

    International Nuclear Information System (INIS)

    Bremer, Daniel Andreas

    2013-01-01

    The PANDA experiment, which will be located at the future Facility for Antiproton and Ion Research, aims at the study of strong interaction within the charm sector via antiproton- proton collisions. An essential component of the PANDA detector to achieve the ambitious physics goals is the Electromagnetic Calorimeter (EMC). Reason for this is particularly its high detection efficiency for photons and electrons over a large dynamic range, since most of the expected physics channels are accompanied by secondary photons. The EMC is based on second generation lead tungstate scintillator crystals and thus features a very compact design and improved performance. To guarantee a homogeneous and precise energy and momentum response, an exact knowledge on the incident particle position is mandatory. In the scope of this work, non-uniformities in the light yield of single lead tungstate crystals with tapered geometry are investigated. This effect was studied with the SLitrani simulation package in comparison to a series of dedicated experimental setups. The so called precision setup allowed for a comparative measurement of the response to cosmic muons and low energetic photons. Furthermore, an analogous beam measurement was performed with 80 MeV protons. Both, simulation and experiments agree that, in case of the PANDA crystal geometry types, the obtained light yield increases quadratically with the distance of the location of the energy deposition inside the crystal to the photo sensor. A clear correlation of the observed amount of non-uniformity to the mean tapering angle of the individual crystal geometry type could be determined. Furthermore, no significant difference in non-uniformity was observed for the three different particle species. Therefore, the observed non-uniformities can be regarded as independent of the exact mechanism of the energy deposition. Hence, the main effect governing the obtained non-uniformities is the interplay of the focussing caused by the high

  13. N-body modeling of globular clusters: detecting intermediate-mass black holes by non-equipartition in HST proper motions

    Science.gov (United States)

    Trenti, Michele

    2010-09-01

    Intermediate Mass Black Holes {IMBHs} are objects of considerable astrophysical significance. They have been invoked as possible remnants of Population III stars, precursors of supermassive black holes, sources of ultra-luminous X-ray emission, and emitters of gravitational waves. The centers of globular clusters, where they may have formed through runaway collapse of massive stars, may be our best chance of detecting them. HST studies of velocity dispersions have provided tentative evidence, but the measurements are difficult and the results have been disputed. It is thus important to explore and develop additional indicators of the presence of an IMBH in these systems. In a Cycle 16 theory project we focused on the fingerprints of an IMBH derived from HST photometry. We showed that an IMBH leads to a detectable quenching of mass segregation. Analysis of HST-ACS data for NGC 2298 validated the method, and ruled out an IMBH of more than 300 solar masses. We propose here to extend the search for IMBH signatures from photometry to kinematics. The velocity dispersion of stars in collisionally relaxed stellar systems such as globular clusters scales with main sequence mass as sigma m^alpha. A value alpha = -0.5 corresponds to equipartition. Mass-dependent kinematics can now be measured from HST proper motion studies {e.g., alpha = -0.21 for Omega Cen}. Preliminary analysis shows that the value of alpha can be used as indicator of the presence of an IMBH. In fact, the quenching of mass segregation is a result of the degree of equipartition that the system attains. However, detailed numerical simulations are required to quantify this. Therefore we propose {a} to carry out a new, larger set of realistic N-body simulations of star clusters with IMBHs, primordial binaries and stellar evolution to predict in detail the expected kinematic signatures and {b} to compare these predictions to datasets that are {becoming} available. Considerable HST resources have been invested in

  14. Assessment of long-term knowledge retention following single-day simulation training for uncommon but critical obstetrical events

    Science.gov (United States)

    Vadnais, Mary A.; Dodge, Laura E.; Awtrey, Christopher S.; Ricciotti, Hope A.; Golen, Toni H.; Hacker, Michele R.

    2013-01-01

    Objective The objectives were to determine (i) whether simulation training results in short-term and long-term improvement in the management of uncommon but critical obstetrical events and (ii) to determine whether there was additional benefit from annual exposure to the workshop. Methods Physicians completed a pretest to measure knowledge and confidence in the management of eclampsia, shoulder dystocia, postpartum hemorrhage and vacuum-assisted vaginal delivery. They then attended a simulation workshop and immediately completed a posttest. Residents completed the same posttests 4 and 12 months later, and attending physicians completed the posttest at 12 months. Physicians participated in the same simulation workshop 1 year later and then completed a final posttest. Scores were compared using paired t-tests. Results Physicians demonstrated improved knowledge and comfort immediately after simulation. Residents maintained this improvement at 1 year. Attending physicians remained more comfortable managing these scenarios up to 1 year later; however, knowledge retention diminished with time. Repeating the simulation after 1 year brought additional improvement to physicians. Conclusion Simulation training can result in short-term and contribute to long-term improvement in objective measures of knowledge and comfort level in managing uncommon but critical obstetrical events. Repeat exposure to simulation training after 1 year can yield additional benefits. PMID:22191668

  15. Evaluation of a multiple-encounter in situ simulation for orientation of staff to a new paediatric emergency service: a single-group pretest/post-test study.

    Science.gov (United States)

    Davison, Michelle; Kinnear, Frances B; Fulbrook, Paul

    2017-10-01

    To assess the utility of a multiple-encounter in-situ (MEIS) simulation as an orientation tool for multidisciplinary staff prior to opening a new paediatric emergency service. A single-group pretest/post-test study was conducted. During the MEIS simulation, multidisciplinary staff with participant or observer roles managed eight children (mannequins) who attended triage with their parent/guardians (clinical facilitators) for a range of emergency presentations (structured scenarios designed to represent the expected range of presentations plus test various clinical pathways/systems). Participants were debriefed to explore clinical, systems and crisis-resource management issues. Participants also completed a pre-intervention and post-intervention questionnaire comprising statements about role confidence and orientation adequacy. Pre-test and post-test results were analysed using t-test and Wilcoxon signed rank test. Eighty-nine staff participated in the MEIS simulation, with the majority completing the pre-simulation and post-simulation questionnaire. There was a significant improvement in post-intervention versus pre-intervention Likert scores for role confidence and orientation adequacy (p=0.001 and orientation adequacy. Nearly all scenarios resulted in significant increases in participants' confidence levels. The MEIS simulation was of utility in orientation of staff, at least with respect to self-reported role confidence and orientation adequacy. Its effectiveness in practice or compared with other orientation techniques was not assessed, but it did identify several flaws in planned systems allowing remediation prior to opening.

  16. Metal-coated semiconductor nanostructures and simulation of photon extraction and coupling to optical fibers for a solid-state single-photon source

    International Nuclear Information System (INIS)

    Suemune, Ikuo; Nakajima, Hideaki; Liu, Xiangming; Odashima, Satoru; Asano, Tomoya; Iijima, Hitoshi; Huh, Jae-Hoon; Idutsu, Yasuhiro; Sasakura, Hirotaka; Kumano, Hidekazu

    2013-01-01

    We have realized metal-coated semiconductor nanostructures for a stable and efficient single-photon source (SPS) and demonstrated improved single-photon extraction efficiency by the selection of metals and nanostructures. We demonstrate with finite-difference time-domain (FDTD) simulations that inclination of a pillar sidewall, which changes the structure to a nanocone, is effective in improving the photon extraction efficiency. We demonstrate how such nanocone structures with inclined sidewalls are fabricated with reactive ion etching. With the optimized design, a photon extraction efficiency to outer airside as high as ∼97% generated from a quantum dot in a nanocone structure is simulated, which is the important step in realizing SPS on-demand operations. We have also examined the direct contact of such a metal-embedded nanocone structure with a single-mode fiber facet as a simple and practical method for preparing fiber-coupled SPS and demonstrated practical coupling efficiencies of ∼16% with FDTD simulation. (paper)

  17. Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy.

    Science.gov (United States)

    Zhang, Hang; Xu, Qingyan

    2017-10-27

    Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter ( d w ), the spiral pitch ( h b ) and the spiral diameter ( h s ), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure.

  18. Assessment of the scatter correction procedures in single photon emission computed tomography imaging using simulation and clinical study

    Directory of Open Access Journals (Sweden)

    Mehravar Rafati

    2017-01-01

    Conclusion: The simulation and the clinical studies showed that the new approach could be better performance than DEW, TEW methods, according to values of the contrast, and the SNR for scatter correction.

  19. Heaters to simulate fuel pins for heat transfer tests in single-phase liquid-metal-flow

    International Nuclear Information System (INIS)

    Casal, V.; Graf, E.; Hartmann, W.

    1976-09-01

    The development of heaters for thermal simulation of the fuel elements of liquid metal cooled fast breeder reactors (SNR) is reported. Beginning with the experimental demands various heating methods are discussed for thermodynamic investigations of the heat transfer in liquid metals. Then a preferred heater rod is derived to simulate the fuel pins of a SNR. Finally it is reported on the fabrication and the operation practice. (orig.) [de

  20. Phase-coexistence simulations of fluid mixtures by the Markov Chain Monte Carlo method using single-particle models

    KAUST Repository

    Li, Jun; Calo, Victor M.

    2013-01-01

    models although its deviation in the liquid phase is greater. Since the single-particle model reduces the particle number and avoids the time-consuming Ewald summation used to evaluate Coulomb interactions, the proposed model improves the computational

  1. Simulation Performance of Multiple-Input Multiple-Output Systems Employing Single-Carrier Modulation and Orthogonal Frequency Division Multiplexing

    National Research Council Canada - National Science Library

    Saglam, Halil D

    2004-01-01

    ...) systems utilizing Alamouti-based space-time block coding (STBC) technique. The MIMO communication systems using STBC technique employing both single-carrier modulation and orthogonal frequency division multiplexing (OFDM...

  2. Parametrized post-Newtonian theory of reference frames, multipolar expansions and equations of motion in the N-body problem

    International Nuclear Information System (INIS)

    Kopeikin, Sergei; Vlasov, Igor

    2004-01-01

    Post-Newtonian relativistic theory of astronomical reference frames based on Einstein's general theory of relativity was adopted by General Assembly of the International Astronomical Union in 2000. This theory is extended in the present paper by taking into account all relativistic effects caused by the presumable existence of a scalar field and parametrized by two parameters, β and γ, of the parametrized post-Newtonian (PPN) formalism. We use a general class of the scalar-tensor (Brans-Dicke type) theories of gravitation to work out PPN concepts of global and local reference frames for an astronomical N-body system. The global reference frame is a standard PPN coordinate system. A local reference frame is constructed in the vicinity of a weakly self-gravitating body (a sub-system of the bodies) that is a member of the astronomical N-body system. Such local inertial frame is required for unambiguous derivation of the equations of motion of the body in the field of other members of the N-body system and for construction of adequate algorithms for data analysis of various gravitational experiments conducted in ground-based laboratories and/or on board of spacecrafts in the solar system.We assume that the bodies comprising the N-body system have weak gravitational field and move slowly. At the same time we do not impose any specific limitations on the distribution of density, velocity and the equation of state of the body's matter. Scalar-tensor equations of the gravitational field are solved by making use of the post-Newtonian approximations so that the metric tensor and the scalar field are obtained as functions of the global and local coordinates. A correspondence between the local and global coordinate frames is found by making use of asymptotic expansion matching technique. This technique allows us to find a class of the post-Newtonian coordinate transformations between the frames as well as equations of translational motion of the origin of the local frame

  3. An interaction scenario of the galaxy pair NGC 3893/96 (KPG 302): A single passage?

    Energy Technology Data Exchange (ETDEWEB)

    Gabbasov, R. F.; Rosado, M. [Instituto de Astronomía, Universidad Nacional Autónoma de Mexico (UNAM), A.P. 70-264,04510 México D.F. (Mexico); Klapp, J., E-mail: ruslan.gabb@gmail.com [Instituto Nacional de Investigaciones Nucleares, Carretera México-Toluca S/N, La Marquesa, Ocoyoacac, 52750 Estado de México (Mexico)

    2014-05-20

    Using the data obtained previously from Fabry-Perot interferometry, we study the orbital characteristics of the interacting pair of galaxies KPG 302 with the aim to estimate a possible interaction history, the conditions necessary for the spiral arm formation, and initial satellite mass. We found by performing N-body/smoothed particle hydrodynamics simulations of the interaction that a single passage can produce a grand design spiral pattern in less than 1 Gyr. Although we reproduce most of the features with the single passage, the required satellite to host mass ratio should be ∼1:5, which is not confirmed by the dynamical mass estimate made from the measured rotation curve. We conclude that a more realistic interaction scenario would require several passages in order to explain the mass ratio discrepancy.

  4. Simulating single-phase and two-phase non-Newtonian fluid flow of a digital rock scanned at high resolution

    Science.gov (United States)

    Tembely, Moussa; Alsumaiti, Ali M.; Jouini, Mohamed S.; Rahimov, Khurshed; Dolatabadi, Ali

    2017-11-01

    Most of the digital rock physics (DRP) simulations focus on Newtonian fluids and overlook the detailed description of rock-fluid interaction. A better understanding of multiphase non-Newtonian fluid flow at pore-scale is crucial for optimizing enhanced oil recovery (EOR). The Darcy scale properties of reservoir rocks such as the capillary pressure curves and the relative permeability are controlled by the pore-scale behavior of the multiphase flow. In the present work, a volume of fluid (VOF) method coupled with an adaptive meshing technique is used to perform the pore-scale simulation on a 3D X-ray micro-tomography (CT) images of rock samples. The numerical model is based on the resolution of the Navier-Stokes equations along with a phase fraction equation incorporating the dynamics contact model. The simulations of a single phase flow for the absolute permeability showed a good agreement with the literature benchmark. Subsequently, the code is used to simulate a two-phase flow consisting of a polymer solution, displaying a shear-thinning power law viscosity. The simulations enable to access the impact of the consistency factor (K), the behavior index (n), along with the two contact angles (advancing and receding) on the relative permeability.

  5. Computational fluid dynamics simulations of single-phase flow in a filter-press flow reactor having a stack of three cells

    International Nuclear Information System (INIS)

    Sandoval, Miguel A.; Fuentes, Rosalba; Walsh, Frank C.; Nava, José L.; Ponce de León, Carlos

    2016-01-01

    Highlights: • Computational fluid dynamic simulations in a filter-press stack of three cells. • The fluid velocity was different in each cell due to local turbulence. • The upper cell link pipe of the filter press cell acts as a fluid mixer. • The fluid behaviour tends towards a continuous mixing flow pattern. • Close agreement between simulations and experimental data was achieved. - Abstract: Computational fluid dynamics (CFD) simulations were carried out for single-phase flow in a pre-pilot filter press flow reactor with a stack of three cells. Velocity profiles and streamlines were obtained by solving the Reynolds-Averaged Navier-Stokes (RANS) equations with a standard k − ε turbulence model. The flow behaviour shows the appearance of jet flow at the entrance to each cell. At lengths from 12 to 15 cm along the cells channels, a plug flow pattern is developed at all mean linear flow rates studied here, 1.2 ≤ u ≤ 2.1 cm s −1 . The magnitude of the velocity profiles in each cell was different, due to the turbulence generated by the change of flow direction in the last fluid manifold. Residence time distribution (RTD) simulations indicated that the fluid behaviour tends towards a continuous mixing flow pattern, owing to flow at the output of each cell across the upper cell link pipe, which acts as a mixer. Close agreement between simulations and experimental RTD was obtained.

  6. RACORO Continental Boundary Layer Cloud Investigations: 3. Separation of Parameterization Biases in Single-Column Model CAM5 Simulations of Shallow Cumulus

    Science.gov (United States)

    Lin, Wuyin; Liu, Yangang; Vogelmann, Andrew M.; Fridlind, Ann; Endo, Satoshi; Song, Hua; Feng, Sha; Toto, Tami; Li, Zhijin; Zhang, Minghua

    2015-01-01

    Climatically important low-level clouds are commonly misrepresented in climate models. The FAst-physics System TEstbed and Research (FASTER) Project has constructed case studies from the Atmospheric Radiation Measurement Climate Research Facility's Southern Great Plain site during the RACORO aircraft campaign to facilitate research on model representation of boundary-layer clouds. This paper focuses on using the single-column Community Atmosphere Model version 5 (SCAM5) simulations of a multi-day continental shallow cumulus case to identify specific parameterization causes of low-cloud biases. Consistent model biases among the simulations driven by a set of alternative forcings suggest that uncertainty in the forcing plays only a relatively minor role. In-depth analysis reveals that the model's shallow cumulus convection scheme tends to significantly under-produce clouds during the times when shallow cumuli exist in the observations, while the deep convective and stratiform cloud schemes significantly over-produce low-level clouds throughout the day. The links between model biases and the underlying assumptions of the shallow cumulus scheme are further diagnosed with the aid of large-eddy simulations and aircraft measurements, and by suppressing the triggering of the deep convection scheme. It is found that the weak boundary layer turbulence simulated is directly responsible for the weak cumulus activity and the simulated boundary layer stratiform clouds. Increased vertical and temporal resolutions are shown to lead to stronger boundary layer turbulence and reduction of low-cloud biases.

  7. COCOA: Simulating Observations of Star Cluster Simulations

    Science.gov (United States)

    Askar, Abbas; Giersz, Mirek; Pych, Wojciech; Dalessandro, Emanuele

    2017-03-01

    COCOA (Cluster simulatiOn Comparison with ObservAtions) creates idealized mock photometric observations using results from numerical simulations of star cluster evolution. COCOA is able to present the output of realistic numerical simulations of star clusters carried out using Monte Carlo or N-body codes in a way that is useful for direct comparison with photometric observations. The code can simulate optical observations from simulation snapshots in which positions and magnitudes of objects are known. The parameters for simulating the observations can be adjusted to mimic telescopes of various sizes. COCOA also has a photometry pipeline that can use standalone versions of DAOPHOT (ascl:1104.011) and ALLSTAR to produce photometric catalogs for all observed stars.

  8. Reliable lateral and vertical manipulations of a single Cu adatom on a Cu(111) surface with multi-atom apex tip: semiempirical and first-principles simulations

    International Nuclear Information System (INIS)

    Xie Yiqun; Liu Qingwei; Zhang Peng; Wang Songyou; Li Yufen; Gan Fuxi; Zhuang Jun; Zhang Wenqing; Zhuang Min

    2008-01-01

    We study the reliability of the lateral manipulation of a single Cu adatom on a Cu(111) surface with single-atom, dimer and trimer apex tips using both semiempirical and first-principles simulations. The dependence of the manipulation reliability on tip height is investigated. For the single-atom apex tip the manipulation reliability increases monotonically with decreasing tip height. For the dimer and trimer apex tips the manipulation reliability is greatly improved compared to that for the single-atom apex tip over a certain tip-height range. Two kinds of mechanism are found responsible for this improvement. One is the so-called enhanced interaction mechanism in which the lateral tip-adatom interaction in the manipulation direction is improved. The other is the suspended atom mechanism in which the relative lateral trapping ability of the tip is improved due to the strong vertical attraction of the tip on the adatom. Both mechanisms occur in the manipulations with the trimer apex tip, while in those with the dimer apex tip only the former is effective. Moreover, we present a method to realize reversible vertical manipulation of a single atom on a Cu(111) surface with the trimer apex tip, based on its strong vertical and lateral attraction on the adatom

  9. Accurate single-scattering simulation of ice cloud using the invariant-imbedding T-matrix method and the physical-geometric optics method

    Science.gov (United States)

    Sun, B.; Yang, P.; Kattawar, G. W.; Zhang, X.

    2017-12-01

    The ice cloud single-scattering properties can be accurately simulated using the invariant-imbedding T-matrix method (IITM) and the physical-geometric optics method (PGOM). The IITM has been parallelized using the Message Passing Interface (MPI) method to remove the memory limitation so that the IITM can be used to obtain the single-scattering properties of ice clouds for sizes in the geometric optics regime. Furthermore, the results associated with random orientations can be analytically achieved once the T-matrix is given. The PGOM is also parallelized in conjunction with random orientations. The single-scattering properties of a hexagonal prism with height 400 (in units of lambda/2*pi, where lambda is the incident wavelength) and an aspect ratio of 1 (defined as the height over two times of bottom side length) are given by using the parallelized IITM and compared to the counterparts using the parallelized PGOM. The two results are in close agreement. Furthermore, the integrated single-scattering properties, including the asymmetry factor, the extinction cross-section, and the scattering cross-section, are given in a completed size range. The present results show a smooth transition from the exact IITM solution to the approximate PGOM result. Because the calculation of the IITM method has reached the geometric regime, the IITM and the PGOM can be efficiently employed to accurately compute the single-scattering properties of ice cloud in a wide spectral range.

  10. Quasielastic neutron scattering measurements and ab initio MD-simulations on single ion motions in molten NaF

    Energy Technology Data Exchange (ETDEWEB)

    Demmel, F. [ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom); Mukhopadhyay, S. [ISIS Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)

    2016-01-07

    The ionic stochastic motions in the molten alkali halide NaF are investigated by quasielastic neutron scattering and first principles molecular dynamics simulation. Quasielastic neutron scattering was employed to extract the diffusion behavior of the sodium ions in the melt. An extensive first principles based simulation on a box of up to 512 particles has been performed to complement the experimental data. From that large box, a smaller 64-particle box has then been simulated over a runtime of 60 ps. A good agreement between calculated and neutron data on the level of spectral shape has been obtained. The obtained sodium diffusion coefficients agree very well. The simulation predicts a fluorine diffusion coefficient similar to the sodium one. Applying the Nernst-Einstein equation, a remarkable large cross correlation between both ions can be deduced. The velocity cross correlations demonstrate a positive correlation between the ions over a period of 0.1 ps. That strong correlation is evidence that the unlike ions do not move completely statistically independent and have a strong association over a short period of time.

  11. Amorphization induced by chemical disorder in crystalline NiZr2: A molecular-dynamics study based on an n-body potential

    International Nuclear Information System (INIS)

    Massobrio, C.; Pontikis, V.; Martin, G.

    1989-01-01

    We present the first molecular-dynamics study of the amorphization of a crystalline alloy (NiZr 2 ) induced by chemical disorder. We used a n-body potential in conjunction with isobaric-isothermal molecular dynamics. The behavior of the pair distribution function suggests that the instability leading to the amorphous state is a first-order phase transformation

  12. Training With Curved Laparoscopic Instruments in Single-Port Setting Improves Performance Using Straight Instruments: A Prospective Randomized Simulation Study.

    Science.gov (United States)

    Lukovich, Peter; Sionov, Valery Ben; Kakucs, Timea

    2016-01-01

    Lately single-port surgery is becoming a widespread procedure, but it is more difficult than conventional laparoscopy owing to the lack of triangulation. Although, these operations are also possible with standard laparoscopic instruments, curved instruments are being developed. The aims of the study were to identify the effect of training on a box trainer in single-port setting on the quality of acquired skills, and transferred with the straight and curved instruments for the basic laparoscopic tasks, and highlight the importance of a special laparoscopic training curriculum. A prospective study on a box trainer in single-port setting was conducted using 2 groups. Each group performed 2 tasks on the box trainer in single-port setting. Group-S used conventional straight laparoscopic instruments, and Group-C used curved laparoscopic instruments. Learning curves were obtained by daily measurements recorded in 7-day sessions. On the last day, the 2 groups changed instruments between each other. 1st Department of Surgery, Semmelweis University of Medicine from Budapest, Hungary, a university teaching hospital. In all, 20 fifth-year medical students were randomized into 2 groups. None of them had any laparoscopic or endoscopic experience. Participation was voluntary. Although Group-S performed all tasks significantly faster than Group-C on the first day, the difference proved to be nonsignificant on the last day. All participants achieved significantly shorter task completion time on the last day than on the first day, regardless of the instrument they used. Group-S showed improvement of 63.5%, and Group-C 69.0% improvement by the end of the session. After swapping the instruments, Group-S reached significantly higher task completion time with curved instruments, whereas Group-C showed further progression of 8.9% with straight instruments. Training with curved instruments in a single-port setting allows for a better acquisition of skills in a shorter period. For this

  13. Thermodynamics of gravitational clustering phenomena: N-body self-gravitating gas on the sphere {{{S}}^{3}}\\subset {{{R}}^{4}}

    Science.gov (United States)

    Tello-Ortiz, F.; Velazquez, L.

    2016-10-01

    This work is devoted to the thermodynamics of gravitational clustering, a collective phenomenon with a great relevance in the N-body cosmological problem. We study a classical self-gravitating gas of identical non-relativistic particles defined on the sphere {{{S}}3}\\subset {{{R}}4} by considering gravitational interaction that corresponds to this geometric space. The analysis is performed within microcanonical description of an isolated Hamiltonian system by combining continuum approximation and the steepest descend method. According to numerical solution of resulting equations, the gravitational clustering can be associated with two microcanonical phase transitions. A first phase transition with a continuous character is associated with breakdown of SO(4) symmetry of this model. The second one is the gravitational collapse, whose continuous or discontinuous character crucially depends on the regularization of short-range divergence of gravitation potential. We also derive the thermodynamic limit of this model system, the astrophysical counterpart of the Gibbs-Duhem relation, the order parameters that characterize its phase transitions and the equation of state. Other interesting behavior is the existence of states with negative heat capacities, which appear when the effects of gravitation turn dominant for energies sufficiently low. Finally, we comment on the relevance of some of these results in the study of astrophysical and cosmological situations. Special interest deserves the gravitational modification of the equation of state due to the local inhomogeneities of matter distribution. Although this feature is systematically neglected in studies about universe expansion, the same one is able to mimic an effect that is attributed to the dark energy: a negative pressure.

  14. Validation of the Gate simulation platform in single photon emission computed tomography and application to the development of a complete 3-dimensional reconstruction algorithm

    International Nuclear Information System (INIS)

    Lazaro, D.

    2003-10-01

    Monte Carlo simulations are currently considered in nuclear medical imaging as a powerful tool to design and optimize detection systems, and also to assess reconstruction algorithms and correction methods for degrading physical effects. Among the many simulators available, none of them is considered as a standard in nuclear medical imaging: this fact has motivated the development of a new generic Monte Carlo simulation platform (GATE), based on GEANT4 and dedicated to SPECT/PET (single photo emission computed tomography / positron emission tomography) applications. We participated during this thesis to the development of the GATE platform within an international collaboration. GATE was validated in SPECT by modeling two gamma cameras characterized by a different geometry, one dedicated to small animal imaging and the other used in a clinical context (Philips AXIS), and by comparing the results obtained with GATE simulations with experimental data. The simulation results reproduce accurately the measured performances of both gamma cameras. The GATE platform was then used to develop a new 3-dimensional reconstruction method: F3DMC (fully 3-dimension Monte-Carlo) which consists in computing with Monte Carlo simulation the transition matrix used in an iterative reconstruction algorithm (in this case, ML-EM), including within the transition matrix the main physical effects degrading the image formation process. The results obtained with the F3DMC method were compared to the results obtained with three other more conventional methods (FBP, MLEM, MLEMC) for different phantoms. The results of this study show that F3DMC allows to improve the reconstruction efficiency, the spatial resolution and the signal to noise ratio with a satisfactory quantification of the images. These results should be confirmed by performing clinical experiments and open the door to a unified reconstruction method, which could be applied in SPECT but also in PET. (author)

  15. A Generic Simulation Approach for the Fast and Accurate Estimation of the Outage Probability of Single Hop and Multihop FSO Links Subject to Generalized Pointing Errors

    KAUST Repository

    Ben Issaid, Chaouki; Park, Kihong; Alouini, Mohamed-Slim

    2017-01-01

    When assessing the performance of the free space optical (FSO) communication systems, the outage probability encountered is generally very small, and thereby the use of nave Monte Carlo simulations becomes prohibitively expensive. To estimate these rare event probabilities, we propose in this work an importance sampling approach which is based on the exponential twisting technique to offer fast and accurate results. In fact, we consider a variety of turbulence regimes, and we investigate the outage probability of FSO communication systems, under a generalized pointing error model based on the Beckmann distribution, for both single and multihop scenarios. Selected numerical simulations are presented to show the accuracy and the efficiency of our approach compared to naive Monte Carlo.

  16. A Generic Simulation Approach for the Fast and Accurate Estimation of the Outage Probability of Single Hop and Multihop FSO Links Subject to Generalized Pointing Errors

    KAUST Repository

    Ben Issaid, Chaouki

    2017-07-28

    When assessing the performance of the free space optical (FSO) communication systems, the outage probability encountered is generally very small, and thereby the use of nave Monte Carlo simulations becomes prohibitively expensive. To estimate these rare event probabilities, we propose in this work an importance sampling approach which is based on the exponential twisting technique to offer fast and accurate results. In fact, we consider a variety of turbulence regimes, and we investigate the outage probability of FSO communication systems, under a generalized pointing error model based on the Beckmann distribution, for both single and multihop scenarios. Selected numerical simulations are presented to show the accuracy and the efficiency of our approach compared to naive Monte Carlo.

  17. Evaluation of Single or Double Hurdle Sanitizer Applications in Simulated Field or Packing Shed Operations for Cantaloupes Contaminated with Listeria monocytogenes

    Directory of Open Access Journals (Sweden)

    Cathy C. Webb

    2015-04-01

    Full Text Available Listeria monocytogenes contamination of cantaloupes has become a serious concern as contaminated cantaloupes led to a deadly outbreak in the United States in 2011. To reduce cross-contamination between cantaloupes and to reduce resident populations on contaminated melons, application of sanitizers in packing shed wash water is recommended. The sanitizing agent of 5% levulinic acid and 2% sodium dodecyl sulfate (SDS applied as a single hurdle in either a simulated dump or dip treatment significantly reduced L. monocytogenes to lower levels at the stem scar compared to a simulated dump treatment employing 200 ppm chlorine; however pathogen reductions on the rind tissue were not significantly different. Double hurdle approaches employing two sequential packing plant treatments with different sanitizers revealed decreased reduction of L. monocytogenes at the stem scar. In contrast, application of sanitizers both in the field and at the packing plant led to greater L. monocytogenes population reductions than if sanitizers were only applied at the packing plant.

  18. Development of a Nuclear Reaction Database on Silicon for Simulation of Neutron-Induced Single-Event Upsets in Microelectronics and its Application

    International Nuclear Information System (INIS)

    Watanabe, Yukinobu; Kodama, Akihiro; Tukamoto, Yasuyuki; Nakashima, Hideki

    2005-01-01

    We have developed a cross-section database for neutron-induced reactions on 28Si in the energy range between 2 MeV and 3 GeV in order to analyze single-event upsets (SEUs) phenomena induced by cosmic-ray neutrons in microelectronic devices. A simplified spherical device model is proposed for simulation of the initial processes of SEUs. The model is applied to SEU cross-section calculations for semiconductor memory devices. The calculated results are compared with measured SEU cross sections and the other simulation result. The dependence of SEU cross sections on incident neutron energy and secondary ions having the most important effects on SEUs are discussed

  19. Study of the therapeutic effects of a hippotherapy simulator in children with cerebral palsy: a stratified single-blind randomized controlled trial.

    Science.gov (United States)

    Herrero, Pablo; Gómez-Trullén, Eva M; Asensio, Angel; García, Elena; Casas, Roberto; Monserrat, Esther; Pandyan, Anand

    2012-12-01

    To investigate whether hippotherapy (when applied by a simulator) improves postural control and balance in children with cerebral palsy. Stratified single-blind randomized controlled trial with an independent assessor. Stratification was made by gross motor function classification system levels, and allocation was concealed. Children between 4 and 18 years old with cerebral palsy. Participants were randomized to an intervention (simulator ON) or control (simulator OFF) group after getting informed consent. Treatment was provided once a week (15 minutes) for 10 weeks. Gross Motor Function Measure (dimension B for balance and the Total Score) and Sitting Assessment Scale were carried out at baseline (prior to randomization), end of intervention and 12 weeks after completing the intervention. Thirty-eight children participated. The groups were balanced at baseline. Sitting balance (measured by dimension B of the Gross Motor Function Measure) improved significantly in the treatment group (effect size = 0.36; 95% CI 0.01-0.71) and the effect size was greater in the severely disabled group (effect size = 0.80; 95% CI 0.13-1.47). The improvements in sitting balance were not maintained over the follow-up period. Changes in the total score of the Gross Motor Function Measure and the Sitting Assessment Scale were not significant. Hippotherapy with a simulator can improve sitting balance in cerebral palsy children who have higher levels of disability. However, this did not lead to a change in the overall function of these children (Gross Motor Function Classification System level V).

  20. On the Wrapping of Polyglycolide, Poly(Ethylene Oxide), and Polyketone Polymer Chains Around Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations

    Science.gov (United States)

    Rouhi, S.; Alizadeh, Y.; Ansari, R.

    2015-02-01

    By using molecular dynamics simulations, the interaction between a single-walled carbon nanotube and three different polymers has been studied in this work. The effects of various parameters such as the nanotube geometry and temperature on the interaction energy and radius of gyration of polymers have been explored. By studying the snapshots of polymers along the single-walled carbon nanotube, it has been shown that 50 ps can be considered as a suitable time after which the shape of polymer chains around the nanotube remains almost unchanged. It is revealed that the effect of temperature on the interaction energy and radius of gyration of polymers in the range of 250 to 500 K is not significant Also, it is shown that the interaction energy depends on the nanotube diameter.

  1. Converting Simulated Sodium-bearing Waste into a Single Solid Waste Form by Evaporation: Laboratory- and Pilot-Scale Test Results on Recycling Evaporator Overheads

    Energy Technology Data Exchange (ETDEWEB)

    Griffith, D.; D. L. Griffith; R. J. Kirkham; L. G. Olson; S. J. Losinski

    2004-01-01

    Conversion of Idaho National Engineering and Environmental Laboratory radioactive sodium-bearing waste into a single solid waste form by evaporation was demonstrated in both flask-scale and pilot-scale agitated thin film evaporator tests. A sodium-bearing waste simulant was adjusted to represent an evaporator feed in which the acid from the distillate is concentrated, neutralized, and recycled back through the evaporator. The advantage to this flowsheet is that a single remote-handled transuranic waste form is produced in the evaporator bottoms without the generation of any low-level mixed secondary waste. However, use of a recycle flowsheet in sodium-bearing waste evaporation results in a 50% increase in remote-handled transuranic volume in comparison to a non-recycle flowsheet.

  2. Evaluation of a BGO-Based PET System for Single-Cell Tracking Performance by Simulation and Phantom Studies

    Directory of Open Access Journals (Sweden)

    Yu Ouyang PhD

    2016-05-01

    Full Text Available A recent method based on positron emission was reported for tracking moving point sources using the Inveon PET system. However, the effect of scanner background noise was not further explored. Here, we evaluate tracking with the Genisys4, a bismuth germanate-based PET system, which has no significant intrinsic background and may be better suited to tracking lower and/or faster activity sources. Position-dependent sensitivity of the Genisys4 was simulated in Geant4 Application for Tomographic Emission (GATE using a static 18F point source. Trajectories of helically moving point sources with varying activity and rotation speed were reconstructed from list-mode data as described previously. Simulations showed that the Inveon’s ability to track sources within 2 mm of localization error is limited to objects with a velocity-to-activity ratio < 0.13 mm/decay, compared to < 0.29 mm/decay for the Genisys4. Tracking with the Genisys4 was then validated using a physical phantom of helically moving [18F] fluorodeoxyglucose-in-oil droplets (< 0.24 mm diameter, 139-296 Bq, yielding < 1 mm localization error under the tested conditions, with good agreement between simulated sensitivity and measured activity (Pearson correlation R = .64, P << .05 in a representative example. We have investigated the tracking performance with the Genisys4, and results suggest the feasibility of tracking low activity, point source-like objects with this system.

  3. Design and simulations of a spectral efficient optical code division multiple access scheme using alternated energy differentiation and single-user soft-decision demodulation

    Science.gov (United States)

    A. Garba, Aminata

    2017-01-01

    This paper presents a new approach to optical Code Division Multiple Access (CDMA) network transmission scheme using alternated amplitude sequences and energy differentiation at the transmitters to allow concurrent and secure transmission of several signals. The proposed system uses error control encoding and soft-decision demodulation to reduce the multi-user interference at the receivers. The design of the proposed alternated amplitude sequences, the OCDMA energy modulators and the soft decision, single-user demodulators are also presented. Simulation results show that the proposed scheme allows achieving spectral efficiencies higher than several reported results for optical CDMA and much higher than the Gaussian CDMA capacity limit.

  4. Cloud Properties Simulated by a Single-Column Model. Part II: Evaluation of Cumulus Detrainment and Ice-phase Microphysics Using a Cloud Resolving Model

    Science.gov (United States)

    Luo, Yali; Krueger, Steven K.; Xu, Kuan-Man

    2005-01-01

    This paper is the second in a series in which kilometer-scale-resolving observations from the Atmospheric Radiation Measurement program and a cloud-resolving model (CRM) are used to evaluate the single-column model (SCM) version of the National Centers for Environmental Prediction Global Forecast System model. Part I demonstrated that kilometer-scale cirrus properties simulated by the SCM significantly differ from the cloud radar observations while the CRM simulation reproduced most of the cirrus properties as revealed by the observations. The present study describes an evaluation, through a comparison with the CRM, of the SCM's representation of detrainment from deep cumulus and ice-phase microphysics in an effort to better understand the findings of Part I. It is found that detrainment occurs too infrequently at a single level at a time in the SCM, although the detrainment rate averaged over the entire simulation period is somewhat comparable to that of the CRM simulation. Relatively too much detrained ice is sublimated when first detrained. Snow falls over too deep of a layer due to the assumption that snow source and sink terms exactly balance within one time step in the SCM. These characteristics in the SCM parameterizations may explain many of the differences in the cirrus properties between the SCM and the observations (or between the SCM and the CRM). A possible improvement for the SCM consists of the inclusion of multiple cumulus cloud types as in the original Arakawa-Schubert scheme, prognostically determining the stratiform cloud fraction and snow mixing ratio. This would allow better representation of the detrainment from deep convection, better coupling of the volume of detrained air with cloud fraction, and better representation of snow field.

  5. Simulation of planar channeling-radiation spectra of relativistic electrons and positrons channeled in a diamond-structure or tungsten single crystal (classical approach)

    International Nuclear Information System (INIS)

    Azadegan, B.; Wagner, W.

    2015-01-01

    We present a Mathematica package for simulation of spectral-angular distributions and energy spectra of planar channeling radiation of relativistic electrons and positrons channeled along major crystallographic planes of a diamond-structure or tungsten single crystal. The program is based on the classical theory of channeling radiation which has been successfully applied to study planar channeling of light charged particles at energies higher than 100 MeV. Continuous potentials for different planes of diamond, Si, Ge and W single crystals are calculated using the Doyle–Turner approximation to the atomic scattering factor and taking thermal vibrations of the crystal atoms into account. Numerical methods are applied to solve the classical one-dimensional equation of motion. The code is designed to calculate the trajectories, velocities and accelerations of electrons (positrons) channeled by the planar continuous potential. In the framework of classical electrodynamics, these data allow realistic simulations of spectral-angular distributions and energy spectra of planar channeling radiation. Since the generated output is quantitative, the results of calculation may be useful, e.g., for setup configuration and crystal alignment in channeling experiments, for the study of the dependence of channeling radiation on the input parameters of particle beams with respect to the crystal orientation, but also for the simulation of positron production by means of pair creation what is mandatory for the design of efficient positron sources necessary in high-energy and collider physics. Although the classical theory of channeling is well established for long time, there is no adequate library program for simulation of channeling radiation up to now, which is commonly available, sufficiently simple and effective to employ and, therefore, of benefit as for special investigations as for a quick overview of basic features of this type of radiation

  6. Simulation of containment pressurization in a large break-loss of coolant accident using single-cell and multicell models and CONTAIN code

    International Nuclear Information System (INIS)

    Kalkahoran, Omid Noori; Ahangari, Rohollah; Shirani, Amir Saied

    2016-01-01

    Since the inception of nuclear power as a commercial energy source, safety has been recognized as a prime consideration in the design, construction, operation, maintenance, and decommissioning of nuclear power plants. The release of radioactivity to the environment requires the failure of multiple safety systems and the breach of three physical barriers: fuel cladding, the reactor cooling system, and containment. In this study, nuclear reactor containment pressurization has been modeled in a large break-loss of coolant accident (LB-LOCA) by programming single-cell and multicell models in MATLAB. First, containment has been considered as a control volume (single-cell model). In addition, spray operation has been added to this model. In the second step, the single-cell model has been developed into a multicell model to consider the effects of the nodalization and spatial location of cells in the containment pressurization in comparison with the single-cell model. In the third step, the accident has been simulated using the CONTAIN 2.0 code. Finally, Bushehr nuclear power plant (BNPP) containment has been considered as a case study. The results of BNPP containment pressurization due to LB-LOCA have been compared between models, final safety analysis report, and CONTAIN code's results

  7. Simulation of Containment Pressurization in a Large Break-Loss of Coolant Accident Using Single-Cell and Multicell Models and CONTAIN Code

    Directory of Open Access Journals (Sweden)

    Omid Noori-Kalkhoran

    2016-10-01

    Full Text Available Since the inception of nuclear power as a commercial energy source, safety has been recognized as a prime consideration in the design, construction, operation, maintenance, and decommissioning of nuclear power plants. The release of radioactivity to the environment requires the failure of multiple safety systems and the breach of three physical barriers: fuel cladding, the reactor cooling system, and containment. In this study, nuclear reactor containment pressurization has been modeled in a large break-loss of coolant accident (LB-LOCA by programming single-cell and multicell models in MATLAB. First, containment has been considered as a control volume (single-cell model. In addition, spray operation has been added to this model. In the second step, the single-cell model has been developed into a multicell model to consider the effects of the nodalization and spatial location of cells in the containment pressurization in comparison with the single-cell model. In the third step, the accident has been simulated using the CONTAIN 2.0 code. Finally, Bushehr nuclear power plant (BNPP containment has been considered as a case study. The results of BNPP containment pressurization due to LB-LOCA have been compared between models, final safety analysis report, and CONTAIN code’s results.

  8. Simulation of containment pressurization in a large break-loss of coolant accident using single-cell and multicell models and CONTAIN code

    Energy Technology Data Exchange (ETDEWEB)

    Kalkahoran, Omid Noori; Ahangari, Rohollah [Reactor Research School, Nuclear Science and Technology Research Institute, Tehran (Iran, Islamic Republic of); Shirani, Amir Saied [Faculty of Engineering, Shahid Beheshti University, Tehran (Iran, Islamic Republic of)

    2016-10-15

    Since the inception of nuclear power as a commercial energy source, safety has been recognized as a prime consideration in the design, construction, operation, maintenance, and decommissioning of nuclear power plants. The release of radioactivity to the environment requires the failure of multiple safety systems and the breach of three physical barriers: fuel cladding, the reactor cooling system, and containment. In this study, nuclear reactor containment pressurization has been modeled in a large break-loss of coolant accident (LB-LOCA) by programming single-cell and multicell models in MATLAB. First, containment has been considered as a control volume (single-cell model). In addition, spray operation has been added to this model. In the second step, the single-cell model has been developed into a multicell model to consider the effects of the nodalization and spatial location of cells in the containment pressurization in comparison with the single-cell model. In the third step, the accident has been simulated using the CONTAIN 2.0 code. Finally, Bushehr nuclear power plant (BNPP) containment has been considered as a case study. The results of BNPP containment pressurization due to LB-LOCA have been compared between models, final safety analysis report, and CONTAIN code's results.

  9. Do bacterial cell numbers follow a theoretical Poisson distribution? Comparison of experimentally obtained numbers of single cells with random number generation via computer simulation.

    Science.gov (United States)

    Koyama, Kento; Hokunan, Hidekazu; Hasegawa, Mayumi; Kawamura, Shuso; Koseki, Shigenobu

    2016-12-01

    We investigated a bacterial sample preparation procedure for single-cell studies. In the present study, we examined whether single bacterial cells obtained via 10-fold dilution followed a theoretical Poisson distribution. Four serotypes of Salmonella enterica, three serotypes of enterohaemorrhagic Escherichia coli and one serotype of Listeria monocytogenes were used as sample bacteria. An inoculum of each serotype was prepared via a 10-fold dilution series to obtain bacterial cell counts with mean values of one or two. To determine whether the experimentally obtained bacterial cell counts follow a theoretical Poisson distribution, a likelihood ratio test between the experimentally obtained cell counts and Poisson distribution which parameter estimated by maximum likelihood estimation (MLE) was conducted. The bacterial cell counts of each serotype sufficiently followed a Poisson distribution. Furthermore, to examine the validity of the parameters of Poisson distribution from experimentally obtained bacterial cell counts, we compared these with the parameters of a Poisson distribution that were estimated using random number generation via computer simulation. The Poisson distribution parameters experimentally obtained from bacterial cell counts were within the range of the parameters estimated using a computer simulation. These results demonstrate that the bacterial cell counts of each serotype obtained via 10-fold dilution followed a Poisson distribution. The fact that the frequency of bacterial cell counts follows a Poisson distribution at low number would be applied to some single-cell studies with a few bacterial cells. In particular, the procedure presented in this study enables us to develop an inactivation model at the single-cell level that can estimate the variability of survival bacterial numbers during the bacterial death process. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. TrackArt: the user friendly interface for single molecule tracking data analysis and simulation applied to complex diffusion in mica supported lipid bilayers.

    Science.gov (United States)

    Matysik, Artur; Kraut, Rachel S

    2014-05-01

    Single molecule tracking (SMT) analysis of fluorescently tagged lipid and protein probes is an attractive alternative to ensemble averaged methods such as fluorescence correlation spectroscopy (FCS) or fluorescence recovery after photobleaching (FRAP) for measuring diffusion in artificial and plasma membranes. The meaningful estimation of diffusion coefficients and their errors is however not straightforward, and is heavily dependent on sample type, acquisition method, and equipment used. Many approaches require advanced computing and programming skills for their implementation. Here we present TrackArt software, an accessible graphic interface for simulation and complex analysis of multiple particle paths. Imported trajectories can be filtered to eliminate spurious or corrupted tracks, and are then analyzed using several previously described methodologies, to yield single or multiple diffusion coefficients, their population fractions, and estimated errors. We use TrackArt to analyze the single-molecule diffusion behavior of a sphingolipid analog SM-Atto647N, in mica supported DOPC (1,2-dioleoyl-sn-glycero-3-phosphocholine) bilayers. Fitting with a two-component diffusion model confirms the existence of two separate populations of diffusing particles in these bilayers on mica. As a demonstration of the TrackArt workflow, we characterize and discuss the effective activation energies required to increase the diffusion rates of these populations, obtained from Arrhenius plots of temperature-dependent diffusion. Finally, TrackArt provides a simulation module, allowing the user to generate models with multiple particle trajectories, diffusing with different characteristics. Maps of domains, acting as impermeable or permeable obstacles for particles diffusing with given rate constants and diffusion coefficients, can be simulated or imported from an image. Importantly, this allows one to use simulated data with a known diffusion behavior as a comparison for results

  11. Effects of simulated microgravity on gene expression and biological phenotypes of a single generation Caenorhabditis elegans cultured on 2 different media.

    Science.gov (United States)

    Tee, Ling Fei; Neoh, Hui-Min; Then, Sue Mian; Murad, Nor Azian; Asillam, Mohd Fairos; Hashim, Mohd Helmy; Nathan, Sheila; Jamal, Rahman

    2017-11-01

    Studies of multigenerational Caenorhabditis elegans exposed to long-term spaceflight have revealed expression changes of genes involved in longevity, DNA repair, and locomotion. However, results from spaceflight experiments are difficult to reproduce as space missions are costly and opportunities are rather limited for researchers. In addition, multigenerational cultures of C. elegans used in previous studies contribute to mixture of gene expression profiles from both larvae and adult worms, which were recently reported to be different. Usage of different culture media during microgravity simulation experiments might also give rise to differences in the gene expression and biological phenotypes of the worms. In this study, we investigated the effects of simulated microgravity on the gene expression and biological phenotype profiles of a single generation of C. elegans worms cultured on 2 different culture media. A desktop Random Positioning Machine (RPM) was used to simulate microgravity on the worms for approximately 52 to 54 h. Gene expression profile was analysed using the Affymetrix GeneChip® C. elegans 1.0 ST Array. Only one gene (R01H2.2) was found to be downregulated in nematode growth medium (NGM)-cultured worms exposed to simulated microgravity. On the other hand, eight genes were differentially expressed for C. elegans Maintenance Medium (CeMM)-cultured worms in microgravity; six were upregulated, while two were downregulated. Five of the upregulated genes (C07E3.15, C34H3.21, C32D5.16, F35H8.9 and C34F11.17) encode non-coding RNAs. In terms of biological phenotype, we observed that microgravity-simulated worms experienced minimal changes in terms of lifespan, locomotion and reproductive capabilities in comparison with the ground controls. Taking it all together, simulated microgravity on a single generation of C. elegans did not confer major changes to their gene expression and biological phenotype. Nevertheless, exposure of the worms to microgravity

  12. Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons

    Energy Technology Data Exchange (ETDEWEB)

    He, Shenglai, E-mail: shenglai.he@vanderbilt.edu; Russakoff, Arthur; Li, Yonghui; Varga, Kálmán, E-mail: kalman.varga@vanderbilt.edu [Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235 (United States)

    2016-07-21

    The spatial current distribution in H-terminated zigzag graphene nanoribbons (ZGNRs) under electrical bias is investigated using time-dependent density-functional theory solved on a real-space grid. A projected complex absorbing potential is used to minimize the effect of reflection at simulation cell boundary. The calculations show that the current flows mainly along the edge atoms in the hydrogen terminated pristine ZGNRs. When a vacancy is introduced to the ZGNRs, loop currents emerge at the ribbon edge due to electrons hopping between carbon atoms of the same sublattice. The loop currents hinder the flow of the edge current, explaining the poor electric conductance observed in recent experiments.

  13. Optic nerve tolerance to single and fractionated radiation simulating radiosurgery: a rabbit model using visual evoked potentials, fundoscopy and histology

    International Nuclear Information System (INIS)

    Bastin, Kenneth; Mehta, Minesh

    1997-01-01

    Purpose/Objective: To develop a rabbit model enabling single or fractionated optic nerve irradiation, measure post-irradiation visual evoked potentials (VEP), fundoscopic and histopathologic changes, and relate different radiation dosing fractions to these measurable physiologic changes. Materials and Methods: Forty male New Zealand white rabbits underwent surgical right orbital prolapse with template-guided optic nerve irradiation using an iridium-192 high dose rate afterloader. Rabbits were randomized into single fraction groups (0 (control), 10, 12.5, 15, 20, and 30 Gy (3 per group); or two fraction groups of 0 (control) 5, 7.5, 10, 15, and 20 Gy (3 per group); or three fractions groups of 10 and 15 Gy (2 per group). Bilateral fundoscopy and pattern-reversal VEPs (0.5 and 1 c/deg, 1 hertz) were performed at 6 and 12 months (mos) following scheduled irradiation. VEP peaks (P1) were measured. Sacrifice and necropsy followed 12 month evaluation, allowing for histological changes. Results: Excluding deaths from anesthesia (2), CNS mite infection (2), sepsis, pyothorax, 'undetermined' and technically non-analyzable VEP recordings, 24 complete rabbit data sets were evaluated. Fundoscopy demonstrated no gross changes at any dose. Histopathology demonstrated generalized optic nerve atrophy without radiation dose correlation. Among single fraction groups, VEP showed a 6 mos post-irradiation P1 prolongation only in the 20 and 30 Gy groups (maximum 67%). At 12 mos lower dose single fraction groups had a prolonged P1 peak. All fractionated groups above 5 Gy x 2 had P1 prolongation times at 6 mos (maximum 46% in the 15 Gy x 3 data set) but by 12 mos these groups had non-measurable, deteriorated VEPs. Correlating VEP P1 latency with the calculated linear quadratic formula (LQM) biologically equivalent dose (BED,α/β=3) for each group demonstrated a general correlation (t-Test P<.001) as shown: Conclusion: Using a rabbit model for selective optic nerve irradiation we conclude

  14. Highly optimized simulations on single- and multi-GPU systems of the 3D Ising spin glass model

    Science.gov (United States)

    Lulli, M.; Bernaschi, M.; Parisi, G.

    2015-11-01

    We present a highly optimized implementation of a Monte Carlo (MC) simulator for the three-dimensional Ising spin-glass model with bimodal disorder, i.e., the 3D Edwards-Anderson model running on CUDA enabled GPUs. Multi-GPU systems exchange data by means of the Message Passing Interface (MPI). The chosen MC dynamics is the classic Metropolis one, which is purely dissipative, since the aim was the study of the critical off-equilibrium relaxation of the system. We focused on the following issues: (i) the implementation of efficient memory access patterns for nearest neighbours in a cubic stencil and for lagged-Fibonacci-like pseudo-Random Numbers Generators (PRNGs); (ii) a novel implementation of the asynchronous multispin-coding Metropolis MC step allowing to store one spin per bit and (iii) a multi-GPU version based on a combination of MPI and CUDA streams. Cubic stencils and PRNGs are two subjects of very general interest because of their widespread use in many simulation codes.

  15. Simulation of single-event energy-deposition spreading in a hybrid pixellated detector for gamma imaging

    CERN Document Server

    Manach, E

    2002-01-01

    In the framework of the Medipix2 Collaboration, a new photon-counting chip is being developed made of a 256x256 array of 55 mu m-side square pixels. Although the chip was primarily developed for semiconductor X-ray imagers, we think that this type of device could be used in applications such as decommissioning of nuclear facilities where typical sources have gamma-ray energies in the range of a few hundred keV. In order to enhance the detection efficiency in this energy range, we envisage connecting the Medipix2 chip to a CdTe or CdZnTe substrate (at least 1 mm thick). The small pixel size, the thickness of the Cd(Zn)Te substrate and the high photon energy motivate us to estimate first the spatial energy spreading following a photon interaction inside the detector. Estimations were made using the MCNP Monte Carlo package by simulating the individual energy distribution for each primary photon interaction. As an illustration of our results, simulating a 660 keV gamma source, we found that there are two pixels ...

  16. CFD Simulation On The Pressure Distribution For An Isolated Single-Story House With Extension: Grid Sensitivity Analysis

    Science.gov (United States)

    Yahya, W. N. W.; Zaini, S. S.; Ismail, M. A.; Majid, T. A.; Deraman, S. N. C.; Abdullah, J.

    2018-04-01

    Damage due to wind-related disasters is increasing due to global climate change. Many studies have been conducted to study the wind effect surrounding low-rise building using wind tunnel tests or numerical simulations. The use of numerical simulation is relatively cheap but requires very good command in handling the software, acquiring the correct input parameters and obtaining the optimum grid or mesh. However, before a study can be conducted, a grid sensitivity test must be conducted to get a suitable cell number for the final to ensure an accurate result with lesser computing time. This study demonstrates the numerical procedures for conducting a grid sensitivity analysis using five models with different grid schemes. The pressure coefficients (CP) were observed along the wall and roof profile and compared between the models. The results showed that medium grid scheme can be used and able to produce high accuracy results compared to finer grid scheme as the difference in terms of the CP values was found to be insignificant.

  17. Simulating real world functioning in schizophrenia using a naturalistic city environment and single-trial, goal-directed navigation

    Directory of Open Access Journals (Sweden)

    John A Zawadzki

    2013-11-01

    Full Text Available Objective: To develop a virtual reality platform that would serve as a functionally meaningful measure of cognition in schizophrenia that would complement standard batteries of cognitive tests during clinical trials for cognitive treatments in schizophrenia, be amenable to human neuroimaging research, yet lend itself to neurobiological comparison with rodent analogues.Method: Thirty-three patients with schizophrenia and 33 healthy controls matched for age, sex, video gaming experience and education completed eight rapid, single-trial virtual navigation tasks within a naturalistic virtual city. Four trials tested their ability to find different targets seen during the passive viewing of a closed path that led them around different city blocks. Four subsequent trials tested their ability to return to four different starting points after viewing a path that took them several blocks away from the starting position. Results: Individuals with schizophrenia had difficulties in way-finding, measured as distance travelled to find targets previously encountered within the virtual city. They were also more likely not to notice the target during passive viewing, less likely to find novel shortcuts to targets and more likely to become lost and fail completely in finding the target. Total travel distances across all eight trials strongly correlated (negatively with neurocognitive measures and, for 49 participants who completed the Quality of Life Scale, psychosocial functioning. Conclusion: Single-trial, goal-directed navigation in a naturalistic virtual environment is a functionally meaningful measure of cognitive functioning in schizophrenia.

  18. In vitro comparison rate of dental root canal transportation using two single file systems on the simulated resin blocks

    Directory of Open Access Journals (Sweden)

    Mohammad Javad Etesami

    2016-07-01

    Full Text Available Background and Aims: Cleaning and shaping is one of the most important stages in endodontic treatment. Single-file systems save time and reduce the risk of transmission of pathogens. This in vitro study was aimed to compare the rate of canal transportation after the preparation of the stimulated resin root canal with two single-file systems, namely Waveone and Reciproc. Materials and Methods: Thirty stimulated resin root canal blocks with size 8/0. 02 K file were randomly divided into two study groups. The preparation in Group A and Group B was performed using Reciproc and Waveone files, respectively. Pre and post- preparation photographs were taken and the images were superimposed to evaluate the inner and outer wall’s curvature tendency at three points (apical, middle and coronal using AutoCad pragram. Data were analyzed using T-test. Results: Based on the results, the degree of transportation in the inner and outer walls of the canal was less at the level of 3 millimeters (P0.05. Conclusion: Waveone showed better performance in the middle third of canal and this system maybe recommended.

  19. Comparison of single and dual continuum representations of faults and fractures for simulating groundwater flow and solute transport in the Meuse/Haute-Marne aquifer system

    International Nuclear Information System (INIS)

    McLaren, R.; Sudicky, E.; Therrien, R.; Benabderrahmane, H.

    2010-01-01

    Document available in extended abstract form only. The Paris Basin system covers approximately 200 000 km 2 and consists of 27 aquiferous and semipermeable (aquitard) hydrogeological units of Trias to Quaternary age that are intersected by 80 regional faults. The Meuse/Haute-Marne site is located in the eastern part of the Paris Basin and covers approximately 250 km 2 . Within the sector, the Callovo-Oxfordian clay formation is a potential host for the French high and intermediate level and long lived radioactive waste. It is located at a mean depth of 500 m and has a minimum thickness of 130 m and very low hydraulic conductivity, on the order of 10-14 m/s. The Callovo-Oxfordian is confined between the overlying Oxfordian aquifer and the underlying Dogger aquifer. Both the Oxfordian and Dogger are limestone aquifers characterized locally by macro-pores, regional faults that oriented along the N40 deg. E direction (the Gondrecourt and Joinville faults) and the N150 deg. E direction (the Marne and Poissons faults), as well as diffuse fracture zones located south west of the Meuse/Haute-Marne Repository site. To support site investigation of the Meuse/Haute-Marne underground repository, a single continuum multi-scale hydrogeological model of the Paris Basin and the Meuse/Haute-Marne sector has been developed. The model represents 27 hydrogeological units at the scale of the Paris Basin, and it is refined at the scale of the sector to represent 27 different layers that range in age from the Trias to the Portlandian. The model has been calibrated to observed hydraulic heads by varying the hydraulic conductivity of the individual layers, using a single continuum approach. To investigate the impact of treating the two confining layers for the clay formation, the Oxfordian and Dogger aquifers, as single continua with equivalent hydraulic properties for the combined fracture and matrix system, additional simulations have been conducted with either a dual continuum or

  20. Simulating the 2012 High Plains Drought Using Three Single Column Model Versions of the Community Earth System Model (SCM-CESM)

    Science.gov (United States)

    Medina, I. D.; Denning, S.

    2014-12-01

    The impact of changes in the frequency and severity of drought on fresh water sustainability is a great concern for many regions of the world. One such location is the High Plains, where the local economy is primarily driven by fresh water withdrawals from the Ogallala Aquifer, which accounts for approximately 30% of total irrigation withdrawals from all U.S. aquifers combined. Modeling studies that focus on the feedback mechanisms that control the climate and eco-hydrology during times of drought are limited in the sense that they use conventional General Circulation Models (GCMs) with grid length scales ranging from one hundred to several hundred kilometers. Additionally, these models utilize crude statistical parameterizations of cloud processes for estimating sub-grid fluxes of heat and moisture and have a poor representation of land surface heterogeneity. For this research, we focus on the 2012 High Plains drought, and will perform numerical simulations using three single column model versions of the Community Earth System Model (SCM-CESM) at multiple sites overlying the Ogallala Aquifer for the 2010-2012 period. In the first version of SCM-CESM, CESM will be used in standard mode (Community Atmospheric Model (CAM) coupled to a single instance of the Community Land Model (CLM)), secondly, CESM will be used in Super-Parameterized mode (SP-CESM), where a cloud resolving model (CRM consists of 32 atmospheric columns) replaces the standard CAM atmospheric parameterization and is coupled to a single instance of CLM, and thirdly, CESM is used in "Multi Instance" SP-CESM mode, where an instance of CLM is coupled to each CRM column of SP-CESM (32 CRM columns coupled to 32 instances of CLM). To assess the physical realism of the land-atmosphere feedbacks simulated at each site by all versions of SCM-CESM, differences in simulated energy and moisture fluxes will be computed between years for the 2010-2012 period, and will be compared to differences calculated using

  1. Simulation of the steady-state behaviour of a new design of a single planar Solid Oxide Fuel Cell

    Directory of Open Access Journals (Sweden)

    Pianko-Oprych Paulina

    2016-03-01

    Full Text Available The aim of the work was to develop a mathematical model for computing the steady-state voltage – current characteristics of a planar Solid Oxide Fuel Cell and to determine the performance of a new SOFC design. The design involves cross-flow bipolar plates. Each of the bipolar plates has an air channel system on one side and a fuel channel system on the other side. The proposed model was developed using the ANSYS-Fluent commercial Computational Fluid Dynamics (CFD software supported by additional Fuel Cell module. The results confirm that the model can well simulate the diagonal current path. The effects of temperature and gas flow through the channels and a Membrane Electrode Assembly (MEA structure were taken into account. It was shown that a significant increase of the MEA temperature at high current density can lead to hot spots formation and hence electrode damage.

  2. Second Sound Measurement using SMD resistors to simulate Quench locations on the 704 MHZ Single-Cell Cavity at CERN

    CERN Document Server

    Liao, K; Ciapala, E; Junginger, T; Weingarten, W

    2012-01-01

    Oscillating Superleak Transducers (OSTs) containing flexible porous membranes are widely used to detect the so-called second sound temperature wave when a quench event occurs in a superconducting RF cavity. In principle, from the measured speed of this wave and the travel time between the quench event and several OSTs, the location of the quench sites can be derived by triangulation. Second sound behaviour has been simulated through different surface mount (SMD) resistors setups on a Superconducting Proton Linac (SPL) test cavity, to help understanding the underlying physics and improve quench localisation. Experiments are described that have been conducted to search for explanation of heat transfer during cavity quench that causes contradictory triangulation results.

  3. Single and two-phase natural circulation in Westinghouse pressurized water reactor simulators: Phenomena, analysis and scaling

    International Nuclear Information System (INIS)

    Schultz, R.R.; Chapman, J.C.; Kukita, Y.; Motley, F.E.; Stumpf, H.; Chen, Y.S.; Tasaka, K.

    1987-01-01

    Natural circulation data obtained in the 1/48 scale W four loop PWR simulator - the Large Scale Test Facility (LSTF) are discussed and summarized. Core cooling modes, the primary fluid state, the primary loop mass flow and localized natural circulation phenomena occurring in the steam generator are presented. TRAC-PF1 LSTF model (using both a 1 U-tube and a 3 U-tube steam generator model) analyses of the LSTF natural circulation data including the SG recirculation patterns are presented and compared to the data. The LSTF data are then compared to similar natural circulation data obtained in the Primarkreislaufe (PKL) and the Semiscale facilities. Based on the 1/48 to 1/1705 scaling range which exists between the facilities, the implications of these data towrard natural circulation behavior in commercial plants are briefly discussed

  4. An Optimized Design of Single-Channel Beta-Gamma Coincidence Phoswich Detector by Geant4 Monte Carlo Simulations

    Directory of Open Access Journals (Sweden)

    Weihua Zhang

    2011-01-01

    Full Text Available An optimized single-channel phoswich well detector design has been proposed and assessed in order to improve beta-gamma coincidence measurement sensitivity of xenon radioisotopes. This newly designed phoswich well detector consists of a plastic beta counting cell (BC404 embedded in a CsI(Tl crystal coupled to a photomultiplier tube. The BC404 is configured in a cylindrical pipe shape to minimise light collection deterioration. The CsI(Tl crystal consists of a rectangular part and a semicylindrical scintillation part as a light reflector to increase light gathering. Compared with a PhosWatch detector, the final optimized detector geometry showed 15% improvement in the energy resolution of a 131mXe 129.4 keV conversion electron peak. The predicted beta-gamma coincidence efficiencies of xenon radioisotopes have also been improved accordingly.

  5. Interpretation of Flow Logs from Nevada Test Site Boreholes to Estimate Hydraulic conductivity Using Numerical Simulations Constrained by Single-Well Aquifer Tests

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, C. Amanda; Halford, Keith J.; Laczniak, Randell J.

    2010-02-12

    Hydraulic conductivities of volcanic and carbonate lithologic units at the Nevada Test Site were estimated from flow logs and aquifer-test data. Borehole flow and drawdown were integrated and interpreted using a radial, axisymmetric flow model, AnalyzeHOLE. This integrated approach is used because complex well completions and heterogeneous aquifers and confining units produce vertical flow in the annular space and aquifers adjacent to the wellbore. AnalyzeHOLE simulates vertical flow, in addition to horizontal flow, which accounts for converging flow toward screen ends and diverging flow toward transmissive intervals. Simulated aquifers and confining units uniformly are subdivided by depth into intervals in which the hydraulic conductivity is estimated with the Parameter ESTimation (PEST) software. Between 50 and 150 hydraulic-conductivity parameters were estimated by minimizing weighted differences between simulated and measured flow and drawdown. Transmissivity estimates from single-well or multiple-well aquifer tests were used to constrain estimates of hydraulic conductivity. The distribution of hydraulic conductivity within each lithology had a minimum variance because estimates were constrained with Tikhonov regularization. AnalyzeHOLE simulated hydraulic-conductivity estimates for lithologic units across screened and cased intervals are as much as 100 times less than those estimated using proportional flow-log analyses applied across screened intervals only. Smaller estimates of hydraulic conductivity for individual lithologic units are simulated because sections of the unit behind cased intervals of the wellbore are not assumed to be impermeable, and therefore, can contribute flow to the wellbore. Simulated hydraulic-conductivity estimates vary by more than three orders of magnitude across a lithologic unit, indicating a high degree of heterogeneity in volcanic and carbonate-rock units. The higher water transmitting potential of carbonate-rock units relative

  6. Interpretation of Flow Logs from Nevada Test Site Boreholes to Estimate Hydraulic Conductivity Using Numerical Simulations Constrained by Single-Well Aquifer Tests

    Science.gov (United States)

    Garcia, C. Amanda; Halford, Keith J.; Laczniak, Randell J.

    2010-01-01

    Hydraulic conductivities of volcanic and carbonate lithologic units at the Nevada Test Site were estimated from flow logs and aquifer-test data. Borehole flow and drawdown were integrated and interpreted using a radial, axisymmetric flow model, AnalyzeHOLE. This integrated approach is used because complex well completions and heterogeneous aquifers and confining units produce vertical flow in the annular space and aquifers adjacent to the wellbore. AnalyzeHOLE simulates vertical flow, in addition to horizontal flow, which accounts for converging flow toward screen ends and diverging flow toward transmissive intervals. Simulated aquifers and confining units uniformly are subdivided by depth into intervals in which the hydraulic conductivity is estimated with the Parameter ESTimation (PEST) software. Between 50 and 150 hydraulic-conductivity parameters were estimated by minimizing weighted differences between simulated and measured flow and drawdown. Transmissivity estimates from single-well or multiple-well aquifer tests were used to constrain estimates of hydraulic conductivity. The distribution of hydraulic conductivity within each lithology had a minimum variance because estimates were constrained with Tikhonov regularization. AnalyzeHOLE simulated hydraulic-conductivity estimates for lithologic units across screened and cased intervals are as much as 100 times less than those estimated using proportional flow-log analyses applied across screened intervals only. Smaller estimates of hydraulic conductivity for individual lithologic units are simulated because sections of the unit behind cased intervals of the wellbore are not assumed to be impermeable, and therefore, can contribute flow to the wellbore. Simulated hydraulic-conductivity estimates vary by more than three orders of magnitude across a lithologic unit, indicating a high degree of heterogeneity in volcanic and carbonate-rock units. The higher water transmitting potential of carbonate-rock units relative

  7. Pharmacokinetic/pharmacodynamic evaluation of marbofloxacin as a single injection for Pasteurellaceae respiratory infections in cattle using population pharmacokinetics and Monte Carlo simulations.

    Science.gov (United States)

    Paulin, A; Schneider, M; Dron, F; Woehrle, F

    2018-02-01

    Population pharmacokinetic of marbofloxacin was investigated with 52 plasma concentration-time profiles obtained after intramuscular administration of Forcyl® in cattle. Animal's status, pre-ruminant, ruminant, or dairy cow, was retained as a relevant covariate for clearance. Monte Carlo simulations were performed using a stratification by status, and 1000 virtual disposition curves were generated in each bovine subpopulation for the recommended dosage regimen of 10 mg/kg as a single injection. The probability of target attainment (PTA) of pharmacokinetic/pharmacodynamic (PK/PD) ratios associated with clinical efficacy and prevention of resistance was determined in each simulated subpopulation. The cumulative fraction of response (CFR) of animals achieving a PK/PD ratio predictive of positive clinical outcome was then calculated for the simulated dosage regimen, taking into account the minimum inhibitory concentration (MIC) distribution of Pasteurella multocida, Mannheimia haemolytica, and Histophilus somni. When considering a ratio of AUC 0-24 hr /MIC (area under the curve/minimum inhibitory concentration) greater than 125 hr, CFRs ranging from 85% to 100% against the three Pasteurellaceae in each bovine subpopulation were achieved. The PTA of the PK/PD threshold reflecting the prevention of resistances was greater than 90% up to MPC (mutant prevention concentration) values of 1 μg/ml in pre-ruminants and ruminants and 0.5 μg/ml in dairy cows. © 2017 The Authors. Journal of Veterinary Pharmacology and Therapeutics Published by John Wiley & Sons Ltd.

  8. Comparison of Single-Particle Monte Carlo Simulation with Measured Output Characteristics of an 0.1µm n-MOSFET

    Directory of Open Access Journals (Sweden)

    F. M. Bufler

    2002-01-01

    Full Text Available A comparison between non-selfconsistent single-particle Monte Carlo (MC simulations and measurements of the output characteristics of an 0.1 µm n-MOSFET is presented. First the bulk MC model, which features a new simplified treatment of inelastic acoustic intravalley scattering, is validated by comparison with experimental literature data for mobilities and velocities. The dopant distribution of the MOSFET is obtained from a 2D process simulation, which is calibrated with SIMS and electrical measurements and fine-tuned by a comparison of the measured transfer characteristics in the subthreshold regime with a coupled Schro¨dinger drift-diffusion (DD simulation. Then the quantum effect is replaced by a shift of the work function and the DD, hydrodynamic (HD and MC models are adjusted to reproduce the measured drain current in the linear regime. The results of the three models in the non-linear regime are compared without further adjustment to the measured output characteristics. While good agreement is found for the MC model, the on-current is significantly overestimated by the HD model and underestimated by the DD model.

  9. Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids

    Energy Technology Data Exchange (ETDEWEB)

    Gómez-González, Víctor; Docampo-Álvarez, Borja; Gallego, Luis J.; Varela, Luis M., E-mail: luismiguel.varela@usc.es [Grupo de Nanomateriais e Materia Branda, Departamento de Física da Materia Condensada, Universidade de Santiago de Compostela, Campus Vida s/n, E-15782 Santiago de Compostela (Spain); Cabeza, Oscar [Facultade de Ciencias, Universidade da Coruña, Campus A Zapateira s/n, E-15008 A Coruña (Spain); Fedorov, Maxim [Department of Physics, Scottish University Physics Alliance (SUPA), University of Strathclyde, John Anderson Bldg., 107 Rottenrow East, Glasgow G4 0NG (United Kingdom); Lynden-Bell, Ruth M. [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2015-09-28

    We report a molecular dynamics study of the structure and single-particle dynamics of mixtures of a protic (ethylammonium nitrate) and an aprotic (1-butyl-3-methylimidazolium hexaflurophosphate [BMIM][PF{sub 6}]) room-temperature ionic liquids doped with magnesium and calcium salts with a common anion at 298.15 K and 1 atm. The solvation of these divalent cations in dense ionic environments is analyzed by means of apparent molar volumes of the mixtures, radial distribution functions, and coordination numbers. For the protic mixtures, the effect of salt concentration on the network of hydrogen bonds is also considered. Moreover, single-particle dynamics of the salt cations is studied by means of their velocity autocorrelation functions and vibrational densities of states, explicitly analyzing the influence of salt concentration, and cation charge and mass on these magnitudes. The effect of the valency of the salt cation on these properties is considered comparing the results with those for the corresponding mixtures with lithium salts. We found that the main structural and dynamic features of the local solvation of divalent cations in ionic liquids are similar to those of monovalent salts, with cations being localized in the polar nanoregions of the bulk mixture coordinated in monodentate and bidentate coordination modes by the [NO{sub 3}]{sup −} and [PF{sub 6}]{sup −} anions. However, stronger electrostatic correlations of these polar nanoregions than in mixtures with salts with monovalent cations are found. The vibrational modes of the ionic liquid (IL) are seen to be scarcely affected by the addition of the salt, and the effect of mass and charge on the vibrational densities of states of the dissolved cations is reported. Cation mass is seen to exert a deeper influence than charge on the low-frequency vibrational spectra, giving a red shift of the vibrational modes and a virtual suppression of the higher energy vibrational modes for the heavier Ca{sup 2

  10. Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids

    International Nuclear Information System (INIS)

    Gómez-González, Víctor; Docampo-Álvarez, Borja; Gallego, Luis J.; Varela, Luis M.; Cabeza, Oscar; Fedorov, Maxim; Lynden-Bell, Ruth M.

    2015-01-01

    We report a molecular dynamics study of the structure and single-particle dynamics of mixtures of a protic (ethylammonium nitrate) and an aprotic (1-butyl-3-methylimidazolium hexaflurophosphate [BMIM][PF 6 ]) room-temperature ionic liquids doped with magnesium and calcium salts with a common anion at 298.15 K and 1 atm. The solvation of these divalent cations in dense ionic environments is analyzed by means of apparent molar volumes of the mixtures, radial distribution functions, and coordination numbers. For the protic mixtures, the effect of salt concentration on the network of hydrogen bonds is also considered. Moreover, single-particle dynamics of the salt cations is studied by means of their velocity autocorrelation functions and vibrational densities of states, explicitly analyzing the influence of salt concentration, and cation charge and mass on these magnitudes. The effect of the valency of the salt cation on these properties is considered comparing the results with those for the corresponding mixtures with lithium salts. We found that the main structural and dynamic features of the local solvation of divalent cations in ionic liquids are similar to those of monovalent salts, with cations being localized in the polar nanoregions of the bulk mixture coordinated in monodentate and bidentate coordination modes by the [NO 3 ] − and [PF 6 ] − anions. However, stronger electrostatic correlations of these polar nanoregions than in mixtures with salts with monovalent cations are found. The vibrational modes of the ionic liquid (IL) are seen to be scarcely affected by the addition of the salt, and the effect of mass and charge on the vibrational densities of states of the dissolved cations is reported. Cation mass is seen to exert a deeper influence than charge on the low-frequency vibrational spectra, giving a red shift of the vibrational modes and a virtual suppression of the higher energy vibrational modes for the heavier Ca 2+ cations. No qualitative

  11. TYPE Ia SUPERNOVA PROGENITORS AND CHEMICAL ENRICHMENT IN HYDRODYNAMICAL SIMULATIONS. I. THE SINGLE-DEGENERATE SCENARIO

    Energy Technology Data Exchange (ETDEWEB)

    Jiménez, Noelia [School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews, KY16 9SS, Scotland (United Kingdom); Tissera, Patricia B. [Instituto de Astronomía y Física del Espacio (IAFE, CONICET-UBA), CC. 67 Suc. 28, C1428ZAA, Ciudad de Buenos Aires (Argentina); Matteucci, Francesca, E-mail: nj22@st-andrews.ac.uk [Dipartimento di Fisica, Universita’ di Trieste, Via G. B. Tiepolo, 11, I-34100, Trieste (Italy)

    2015-09-10

    The nature of the Type Ia supernova (SN Ia) progenitors remains uncertain. This is a major issue for galaxy evolution models since both chemical and energetic feedback plays a major role in the gas dynamics, star formation, and therefore the overall stellar evolution. The progenitor models for the SNe Ia available in the literature propose different distributions for regulating the explosion times of these events. These functions are known as the delay time distributions (DTDs). This work is the first one in a series of papers aiming at studying five different DTDs for SNe Ia. Here we implement and analyze the single-degenerate (SD) scenario in galaxies dominated by a rapid quenching of the star formation, displaying the majority of the stars concentrated in the bulge component. We find a good fit to both the present observed SN Ia rates in spheroidal-dominated galaxies and the [O/Fe] ratios shown by the bulge of the Milky Way. Additionally, the SD scenario is found to reproduce a correlation between the specific SN Ia rate and the specific star formation rate (sSFR), which closely resembles the observational trend, at variance with previous works. Our results suggest that SN Ia observations in galaxies with very low and very high sSFRs can help to impose more stringent constraints on the DTDs and therefore on SN Ia progenitors.

  12. Numerical simulation on vacuum solution heat treatment and gas quenching process of a low rhenium-containing Ni-based single crystal turbine blade

    Directory of Open Access Journals (Sweden)

    Zhe-xin Xu

    2016-11-01

    Full Text Available Numerical heat-transfer and turbulent flow model for an industrial high-pressure gas quenching vacuum furnace was established to simulate the heating, holding and gas fan quenching of a low rhenium-bearing Ni-based single crystal turbine blade. The mesh of simplified furnace model was built using finite volume method and the boundary conditions were set up according to the practical process. Simulation results show that the turbine blade geometry and the mutual shielding among blades have significant influence on the uniformity of the temperature distribution. The temperature distribution at sharp corner, thin wall and corner part is higher than that at thick wall part of blade during heating, and the isotherms show a toroidal line to the center of thick wall. The temperature of sheltered units is lower than that of the remaining part of blade. When there is no shelteration among multiple blades, the temperature distribution for all blades is almost identical. The fluid velocity field, temperature field and cooling curves of the single and multiple turbine blades during gas fan quenching were also simulated. Modeling results indicate that the loading tray, free outlet and the location of turbine blades have important influences on the flow field. The high-speed gas flows out from the nozzle is divided by loading tray, and the free outlet enhanced the two vortex flow at the end of the furnace door. The closer the blade is to the exhaust outlet and the nozzle, the greater the flow velocity is and the more adequate the flow is. The blade geometry has an effect on the cooling for single blade and multiple blades during gas fan quenching, and the effects in double layers differs from that in single layer. For single blade, the cooing rate at thin-walled part is lower than that at thick-walled part, the cooling rate at sharp corner is greater than that at tenon and blade platform, and the temperature at regions close to the internal position is

  13. Simulation study of light transport in laser-processed LYSO:Ce detectors with single-side readout.

    Science.gov (United States)

    Bläckberg, L; El Fakhri, G; Sabet, H

    2017-10-19

    A tightly focused pulsed laser beam can locally modify the crystal structure inside the bulk of a scintillator. The result is incorporation of so-called optical barriers with a refractive index different from that of the crystal bulk, that can be used to redirect the scintillation light and control the light spread in the detector. We here systematically study the scintillation light transport in detectors fabricated using the laser induced optical barrier technique, and objectively compare their potential performance characteristics with those of the two mainstream detector types: monolithic and mechanically pixelated arrays. Among countless optical barrier patterns, we explore barriers arranged in a pixel-like pattern extending all-the-way or half-way through a 20 mm thick LYSO:Ce crystal. We analyze the performance of the detectors coupled to MPPC arrays, in terms of light response functions, flood maps, line profiles, and light collection efficiency. Our results show that laser-processed detectors with both barrier patterns constitute a new detector category with a behavior between that of the two standard detector types. Results show that when the barrier-crystal interface is smooth, no DOI information can be obtained regardless of barrier refractive index (RI). However, with a rough barrier-crystal interface we can extract multiple levels of DOI. Lower barrier RI results in larger light confinement, leading to better transverse resolution. Furthermore we see that the laser-processed crystals have the potential to increase the light collection efficiency, which could lead to improved energy resolution and potentially better timing resolution due to higher signals. For a laser-processed detector with smooth barrier-crystal interfaces the light collection efficiency is simulated to  >42%, and for rough interfaces  >73%. The corresponding numbers for a monolithic crystal is 39% with polished surfaces, and 71% with rough surfaces, and for a mechanically

  14. CFD simulation of flow through single and multi vane spiral pump for low pressure application using moving node unsteady computation

    International Nuclear Information System (INIS)

    Banerjee, I.; Mahendra, A.K.; Chandresh, B.G.; Srikanthan, M.R.; Bera, T.K.

    2010-01-01

    A spiral pump uses two interleaved spirals (it can be involutes of a circle, involutes of a square, hybrid wraps, Archimedean spiral, logarithmic spirals and so on). Interleaved spiral orbits eccentrically without rotation around a fixed scroll, thereby trapping and compressing pockets of fluids between the spirals. Another method of providing the compression motion is by virtue of co-rotating the spirals synchronously with an offset in centers of rotation thereby providing relative motion similar to orbiting. Recently spiral pumps for low-pressure application have become popular. Since spiral pumps contain gas volumes, whose shapes and size change continuously, the flow fields inside the pumps is time dependent. The unsteadiness controls the mechanisms responsible for the behavior of the spiral pump components. To improve the spiral pump design for better performance as per our process requirement and reliability, information is required to understand the detailed physics of the unsteady flows inside the spiral pumps. The unsteady flows in a pump are studied numerically. The system simulated includes one side gap between fixed and moving spirals as the other side lies just in the reverse symmetry of the one side. Heavy molecular weight, condensable gas is used as the moving fluid. The mesh free Least Square Kinetic Upwind Method (LSKUM) for moving node is applied for numerical analysis of wobbling spiral. Nodes and boundaries change their positions, for every real time step hence at every iteration nodes take new coordinates. Our work consists of identifying various spiral dimensions and geometry, geometric modeling of suction process, identifying the eccentric orbiting motion of the moving spiral, formation of variable velocity moving nodes. Flow analysis of the spiral pump is done with a view to design and develop new pump as per our requirement. Experimental data from an existing spiral pump is used to carryout validation of the code. (author)

  15. Fundamental processes in the expansion, energization, and coupling of single- and multi-Ion plasmas in space: Laboratory simulation experiments

    Science.gov (United States)

    Szuszczewicz, E. P.; Bateman, T. T.

    1996-01-01

    We have conducted a laboratory investigation into the physics of plasma expansions and their associated energization processes. We studied single- and multi-ion plasma processes in self-expansions, and included light and heavy ions and heavy/light mixtures to encompass the phenomenological regimes of the solar and polar winds and the AMPTE and CRRES chemical release programs. The laboratory experiments provided spatially-distributed time-dependent measurements of total plasma density, temperature, and density fluctuation power spectra with the data confirming the long-theorized electron energization process in an expanding cloud - a result that was impossible to determine in spaceborne experiments (as e.g., in the CRRES program). These results provided the missing link in previous laboratory and spaceborne programs. confirming important elements in our understanding of such solar-terrestrial processes as manifested in expanding plasmas in the solar wind (e.g., CMES) and in ionospheric outflow in plasmaspheric fluctuate refilling after a storm. The energization signatures were seen in an entire series of runs that varied the ion species (Ar', Xe', Kr' and Ne'), and correlative studies included spectral analyses of electrostatic waves collocated with the energized electron distributions. In all cases wave energies were most intense during the times in which the suprathermal populations were present, with wave intensity increasing with the intensity of the suprathermal electron population. This is consistent with theoretical expectations wherein the energization process is directly attributable to wave particle interactions. No resonance conditions were observed, in an overall framework in which the general wave characteristics were broadband with power decreasing with increasing frequency.

  16. A Numerical Simulation of Transport Phenomena During the Horizontal Single Belt Casting Process Using an Inclined Feeding System

    Science.gov (United States)

    Xu, Mianguang; Isac, Mihaiela; Guthrie, Roderick I. L.

    2018-06-01

    Horizontal single belt casting (HSBC) has great potential to replace current conventional continuous casting (CCC) processes for sheet metal production, by directly casting 3 to 1 mm sheet for the automobile industry. In the present paper, two-dimensional mathematical models were developed to study transport phenomena, for the case of an inclined wall feeding system for a liquid aluminum wrought alloy (AA6111). Based on the commercial software ANSYS FLUENT 14.5 and user-defined functions, a two-layer turbulence model was used to examine the fluid flow emanating from a slot nozzle set above a water-cooled, high-speed, steel belt. The Volume of Fluid (VOF) method was used to predict the shape of the melt-air interface. A transformed coordinate system ( x', y') was established in order to analyze the fluid flow on the inclined wall of the feeding system. The total pressure gauge gradient ( ∂p total/ ∂x) was used to describe the behavior of the melt film inside the slot nozzle of the head box. The modeling results show that during the melt film falling process, the total gauge pressure varies within the slot nozzle, which can decrease the stability of the falling film. The first impingement between the falling film and the inclined refractory wall of the feeding system gives rise to a local oscillation, and this influences the stability of the melt film moving downwards. At the rear meniscus position between the inclined wall and the moving belt, there is a clear vibration of the air-melt interface, together with a recirculation zone. The weak vibration of the air-melt interface could be induced by the periodic variation of the melt-air interface. Moreover, the formation of tiny air pockets is predicted. Finally, on the inclined wall of the feeding system, a suitable length of the transition area is needed to avoid over-acceleration of the melt film due to the force of gravity.

  17. A Numerical Simulation of Transport Phenomena During the Horizontal Single Belt Casting Process Using an Inclined Feeding System

    Science.gov (United States)

    Xu, Mianguang; Isac, Mihaiela; Guthrie, Roderick I. L.

    2018-03-01

    Horizontal single belt casting (HSBC) has great potential to replace current conventional continuous casting (CCC) processes for sheet metal production, by directly casting 3 to 1 mm sheet for the automobile industry. In the present paper, two-dimensional mathematical models were developed to study transport phenomena, for the case of an inclined wall feeding system for a liquid aluminum wrought alloy (AA6111). Based on the commercial software ANSYS FLUENT 14.5 and user-defined functions, a two-layer turbulence model was used to examine the fluid flow emanating from a slot nozzle set above a water-cooled, high-speed, steel belt. The Volume of Fluid (VOF) method was used to predict the shape of the melt-air interface. A transformed coordinate system (x', y') was established in order to analyze the fluid flow on the inclined wall of the feeding system. The total pressure gauge gradient (∂p total/∂x) was used to describe the behavior of the melt film inside the slot nozzle of the head box. The modeling results show that during the melt film falling process, the total gauge pressure varies within the slot nozzle, which can decrease the stability of the falling film. The first impingement between the falling film and the inclined refractory wall of the feeding system gives rise to a local oscillation, and this influences the stability of the melt film moving downwards. At the rear meniscus position between the inclined wall and the moving belt, there is a clear vibration of the air-melt interface, together with a recirculation zone. The weak vibration of the air-melt interface could be induced by the periodic variation of the melt-air interface. Moreover, the formation of tiny air pockets is predicted. Finally, on the inclined wall of the feeding system, a suitable length of the transition area is needed to avoid over-acceleration of the melt film due to the force of gravity.

  18. Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

    Science.gov (United States)

    Minier, Jean-Pierre; Chibbaro, Sergio; Pope, Stephen B.

    2014-11-01

    In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangian stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future

  19. Simulation of the phenomenon of single-phase and two-phase natural circulation; Simulacao do fenomeno de circulacao natural mono e bifasica

    Energy Technology Data Exchange (ETDEWEB)

    Castrillo, Lazara Silveira

    1998-02-01

    Natural convection phenomenon is often used to remove the residual heat from the surfaces of bodies where the heat is generated e.g. during accidents or transients of nuclear power plants. Experimental study of natural circulation can be done in small scale experimental circuits and the results can be extrapolated for larger operational facilities. The numerical analysis of transients can be carried out by using large computational codes that simulate the thermohydraulic behavior in such facilities. The computational code RELAP5/MOD2, (Reactor Excursion and Leak Analysis Program) was developed by U.S. Nuclear Regulatory Commissions's. Division of Reactor Safety Research with the objective of analysis of transients and postulated accidents in the light water reactor (LWR) systems, including small and large ruptures with loss of coolant accidents (LOCA's). The results obtained by the simulation of single-phase and two-phase natural circulation, using the RELAP5/MOD2, are presented in this work. The study was carried out using the experimental circuit built at the 'Departamento de Engenharia Quimica da Escola Politecnica da Universidade de Sao Paulo'. In the circuit, two experiments were carried out with different conditions of power and mass flow, obtaining a single-phase regime with a level of power of 4706 W and flow of 5.10{sup -5} m{sup 3}/s (3 l/min) and a two-phase regime with a level of power of 6536 W and secondary flow 2,33.10{sup -5} m{sup 3}/s (1,4 l/min). The study allo