Half-Cell RF Gun Simulations with the Electromagnetic Particle-in-Cell Code VORPAL

NASA Astrophysics Data System (ADS)

Paul, K.; Dimitrov, D. A.; Busby, R.; Bruhwiler, D. L.; Smithe, D.; Cary, J. R.; Kewisch, J.; Kayran, D.; Calaga, R.; Ben-Zvi, I.

2009-01-01

We have simulated Brookhaven National Laboratory's half-cell superconducting RF gun design for a proposed high-current ERL using the three-dimensional, electromagnetic particle-in-cell code VORPAL. VORPAL computes the fully self-consistent electromagnetic fields produced by the electron bunches, meaning that it accurately models space-charge effects as well as bunch-to-bunch beam loading effects and the effects of higher-order cavity modes, though these are beyond the scope of this paper. We compare results from VORPAL to the well-established space-charge code PARMELA, using RF fields produced by SUPERFISH, as a benchmarking exercise in which the two codes should agree well.

Detectability of the first cosmic explosions

NASA Astrophysics Data System (ADS)

de Souza, R. S.; Ishida, E. E. O.; Johnson, J. L.; Whalen, D. J.; Mesinger, A.

2013-12-01

We present a fully self-consistent simulation of a synthetic survey of the furthermost cosmic explosions. The appearance of the first generation of stars (Population III) in the Universe represents a critical point during cosmic evolution, signalling the end of the dark ages, a period of absence of light sources. Despite their importance, there is no confirmed detection of Population III stars so far. A fraction of these primordial stars are expected to die as pair-instability supernovae (PISNe), and should be bright enough to be observed up to a few hundred million years after the big bang. While the quest for Population III stars continues, detailed theoretical models and computer simulations serve as a testbed for their observability. With the upcoming near-infrared missions, estimates of the feasibility of detecting PISNe are not only timely but imperative. To address this problem, we combine state-of-the-art cosmological and radiative simulations into a complete and self-consistent framework, which includes detailed features of the observational process. We show that a dedicated observational strategy using ≲ 8 per cent of the total allocation time of the James Webb Space Telescope mission can provide us with up to ˜9-15 detectable PISNe per year.

Simulations of Instabilities in Tidal Tails

NASA Astrophysics Data System (ADS)

Comparetta, Justin N.; Quillen, A. C.

2010-05-01

We use graphics cards to run a hybrid test particle/N-body simulation to integrate 4 million massless particle trajectories within fully self-consistent N-body simulations of 128,000 - 256,000 particles. The number of massless particles allows us to resolve fine structure in the spatial distribution and phase space of a dwarf galaxy that is disrupted in the tidal field of a Milky Way type galaxy. The tidal tails exhibit clumping or a smoke-like appearance. By running simulations with different satellite particle mass, number of massive vs massless particles and with and without a galaxy disk, we have determined that the instabilities are not due to numerical noise or shocking as the satellite passes through the disk of the Galaxy. The instability is possibly a result of self-gravity which indicates it may be due to Jeans instabilities. Simulations involving different halo particle mass may suggest limitations on dark matter halo substructure. We find that the instabilities are visible in velocity space as well as real space and thus could be identified from velocity surveys as well as number counts.

Molecular Dynamics Studies of Self-Assembling Biomolecules and DNA-functionalized Gold Nanoparticles

NASA Astrophysics Data System (ADS)

Cho, Vince Y.

This thesis is organized as following. In Chapter 2, we use fully atomistic MD simulations to study the conformation of DNA molecules that link gold nanoparticles to form nanoparticle superlattice crystals. In Chapter 3, we study the self-assembly of peptide amphiphiles (PAs) into a cylindrical micelle fiber by using CGMD simulations. Compared to fully atomistic MD simulations, CGMD simulations prove to be computationally cost-efficient and reasonably accurate for exploring self-assembly, and are used in all subsequent chapters. In Chapter 4, we apply CGMD methods to study the self-assembly of small molecule-DNA hybrid (SMDH) building blocks into well-defined cage-like dimers, and reveal the role of kinetics and thermodynamics in this process. In Chapter 5, we extend the CGMD model for this system and find that the assembly of SMDHs can be fine-tuned by changing parameters. In Chapter 6, we explore superlattice crystal structures of DNA-functionalized gold nanoparticles (DNA-AuNP) with the CGMD model and compare the hybridization.

Comparison of the analytical and simulation results of the equilibrium beam profile

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

Liu, Z. J.; Zhu Shaoping; Cao, L. H.

2007-10-15

The evolution of high current electron beams in dense plasmas has been investigated by using two-dimensional particle-in-cell (PIC) simulations with immobile ions. It is shown that electron beams are split into many filaments at the beginning due to the Weibel instability, and then different filamentation beams attract each other and coalesce. The profile of the filaments can be described by formulas. Hammer et al. [Phys. Fluids 13, 1831 (1970)] developed a self-consistent relativistic electron beam model that allows the propagation of relativistic electron fluxes in excess of the Alfven-Lawson critical-current limit for a fully neutralized beam. The equilibrium solution hasmore » been observed in the simulation results, but the electron distribution function assumed by Hammer et al. is different from the simulation results.« less

X-Ray Spectra from MHD Simulations of Accreting Black Holes

NASA Technical Reports Server (NTRS)

Schnittman, Jeremy D.; Noble, Scott C.; Krolik, Julian H.

2011-01-01

We present new global calculations of X-ray spectra from fully relativistic magneto-hydrodynamic (MHO) simulations of black hole (BH) accretion disks. With a self consistent radiative transfer code including Compton scattering and returning radiation, we can reproduce the predominant spectral features seen in decades of X-ray observations of stellar-mass BHs: a broad thermal peak around 1 keV, power-law continuum up to >100 keV, and a relativistically broadened iron fluorescent line. By varying the mass accretion rate, different spectral states naturally emerge: thermal-dominant, steep power-law, and low/hard. In addition to the spectral features, we briefly discuss applications to X-ray timing and polarization.

Cosmic reionization on computers. I. Design and calibration of simulations

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

Gnedin, Nickolay Y., E-mail: gnedin@fnal.gov

Cosmic Reionization On Computers is a long-term program of numerical simulations of cosmic reionization. Its goal is to model fully self-consistently (albeit not necessarily from the first principles) all relevant physics, from radiative transfer to gas dynamics and star formation, in simulation volumes of up to 100 comoving Mpc, and with spatial resolution approaching 100 pc in physical units. In this method paper, we describe our numerical method, the design of simulations, and the calibration of numerical parameters. Using several sets (ensembles) of simulations in 20 h {sup –1} Mpc and 40 h {sup –1} Mpc boxes with spatial resolutionmore » reaching 125 pc at z = 6, we are able to match the observed galaxy UV luminosity functions at all redshifts between 6 and 10, as well as obtain reasonable agreement with the observational measurements of the Gunn-Peterson optical depth at z < 6.« less

Dynamics of a suspension of interacting yolk-shell particles

DOE PAGES

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

2014-12-01

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

Numerical Simulations of Close and Contact Binary Systems Having Bipolytropic Equation of State

NASA Astrophysics Data System (ADS)

Kadam, Kundan; Clayton, Geoffrey C.; Motl, Patrick M.; Marcello, Dominic; Frank, Juhan

2017-01-01

I present the results of the numerical simulations of the mass transfer in close and contact binary systems with both stars having a bipolytropic (composite polytropic) equation of state. The initial binary systems are obtained by a modifying Hachisu’s self-consistent field technique. Both the stars have fully resolved cores with a molecular weight jump at the core-envelope interface. The initial properties of these simulations are chosen such that they satisfy the mass-radius relation, composition and period of a late W-type contact binary system. The simulations are carried out using two different Eulerian hydrocodes, Flow-ER with a fixed cylindrical grid, and Octo-tiger with an AMR capable cartesian grid. The detailed comparison of the simulations suggests an agreement between the results obtained from the two codes at different resolutions. The set of simulations can be treated as a benchmark, enabling us to reliably simulate mass transfer and merger scenarios of binary systems involving bipolytropic components.

A simple quantum mechanical treatment of scattering in nanoscale transistors

NASA Astrophysics Data System (ADS)

Venugopal, R.; Paulsson, M.; Goasguen, S.; Datta, S.; Lundstrom, M. S.

2003-05-01

We present a computationally efficient, two-dimensional quantum mechanical simulation scheme for modeling dissipative electron transport in thin body, fully depleted, n-channel, silicon-on-insulator transistors. The simulation scheme, which solves the nonequilibrium Green's function equations self consistently with Poisson's equation, treats the effect of scattering using a simple approximation inspired by the "Büttiker probes," often used in mesoscopic physics. It is based on an expansion of the active device Hamiltonian in decoupled mode space. Simulation results are used to highlight quantum effects, discuss the physics of scattering and to relate the quantum mechanical quantities used in our model to experimentally measured low field mobilities. Additionally, quantum boundary conditions are rigorously derived and the effects of strong off-equilibrium transport are examined. This paper shows that our approximate treatment of scattering, is an efficient and useful simulation method for modeling electron transport in nanoscale, silicon-on-insulator transistors.

Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes.

PubMed

Kondratyuk, Nikolay D; Norman, Genri E; Stegailov, Vladimir V

2016-11-28

Diffusion is one of the key subjects of molecular modeling and simulation studies. However, there is an unresolved lack of consistency between Einstein-Smoluchowski (E-S) and Green-Kubo (G-K) methods for diffusion coefficient calculations in systems of complex molecules. In this paper, we analyze this problem for the case of liquid n-triacontane. The non-conventional long-time tails of the velocity autocorrelation function (VACF) are found for this system. Temperature dependence of the VACF tail decay exponent is defined. The proper inclusion of the long-time tail contributions to the diffusion coefficient calculation results in the consistency between G-K and E-S methods. Having considered the major factors influencing the precision of the diffusion rate calculations in comparison with experimental data (system size effects and force field parameters), we point to hydrogen nuclear quantum effects as, presumably, the last obstacle to fully consistent n-alkane description.

Towards a fully self-consistent inversion combining historical and paleomagnetic data for geomagnetic field reconstructions

NASA Astrophysics Data System (ADS)

Arneitz, P.; Leonhardt, R.; Fabian, K.; Egli, R.

2017-12-01

Historical and paleomagnetic data are the two main sources of information about the long-term geomagnetic field evolution. Historical observations extend to the late Middle Ages, and prior to the 19th century, they consisted mainly of pure declination measurements from navigation and orientation logs. Field reconstructions going back further in time rely solely on magnetization acquired by rocks, sediments, and archaeological artefacts. The combined dataset is characterized by a strongly inhomogeneous spatio-temporal distribution and highly variable data reliability and quality. Therefore, an adequate weighting of the data that correctly accounts for data density, type, and realistic error estimates represents the major challenge for an inversion approach. Until now, there has not been a fully self-consistent geomagnetic model that correctly recovers the variation of the geomagnetic dipole together with the higher-order spherical harmonics. Here we present a new geomagnetic field model for the last 4 kyrs based on historical, archeomagnetic and volcanic records. The iterative Bayesian inversion approach targets the implementation of reliable error treatment, which allows different record types to be combined in a fully self-consistent way. Modelling results will be presented along with a thorough analysis of model limitations, validity and sensitivity.

Particle simulation of plasmas on the massively parallel processor

NASA Technical Reports Server (NTRS)

Gledhill, I. M. A.; Storey, L. R. O.

1987-01-01

Particle simulations, in which collective phenomena in plasmas are studied by following the self consistent motions of many discrete particles, involve several highly repetitive sets of calculations that are readily adaptable to SIMD parallel processing. A fully electromagnetic, relativistic plasma simulation for the massively parallel processor is described. The particle motions are followed in 2 1/2 dimensions on a 128 x 128 grid, with periodic boundary conditions. The two dimensional simulation space is mapped directly onto the processor network; a Fast Fourier Transform is used to solve the field equations. Particle data are stored according to an Eulerian scheme, i.e., the information associated with each particle is moved from one local memory to another as the particle moves across the spatial grid. The method is applied to the study of the nonlinear development of the whistler instability in a magnetospheric plasma model, with an anisotropic electron temperature. The wave distribution function is included as a new diagnostic to allow simulation results to be compared with satellite observations.

Many-body Green’s function theory for electron-phonon interactions: Ground state properties of the Holstein dimer

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

Säkkinen, Niko; Leeuwen, Robert van; Peng, Yang

2015-12-21

We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong, whereas at smaller interactions, only a single solution is found. The additional solutions at larger electron-phonon couplings correspond to symmetry-broken states with inhomogeneous electron densities. A comparison to exact results indicates that this symmetry breaking is stronglymore » correlated with the formation of a bipolaron state in which the two electrons prefer to reside on the same molecule. The results further show that the Hartree and partially self-consistent Born solutions obtained by enforcing symmetry do not compare well with exact energetics, while the fully self-consistent Born approximation improves the qualitative and quantitative agreement with exact results in the same symmetric case. This together with a presented natural occupation number analysis supports the conclusion that the fully self-consistent approximation describes partially the bipolaron crossover. These results contribute to better understanding how these approximations cope with the strong localizing effect of the electron-phonon interaction.« less

Short- and long-time diffusion and dynamic scaling in suspensions of charged colloidal particles

NASA Astrophysics Data System (ADS)

Banchio, Adolfo J.; Heinen, Marco; Holmqvist, Peter; Nägele, Gerhard

2018-04-01

We report on a comprehensive theory-simulation-experimental study of collective and self-diffusion in concentrated suspensions of charge-stabilized colloidal spheres. In theory and simulation, the spheres are assumed to interact directly by a hard-core plus screened Coulomb effective pair potential. The intermediate scattering function, fc(q, t), is calculated by elaborate accelerated Stokesian dynamics (ASD) simulations for Brownian systems where many-particle hydrodynamic interactions (HIs) are fully accounted for, using a novel extrapolation scheme to a macroscopically large system size valid for all correlation times. The study spans the correlation time range from the colloidal short-time to the long-time regime. Additionally, Brownian Dynamics (BD) simulation and mode-coupling theory (MCT) results of fc(q, t) are generated where HIs are neglected. Using these results, the influence of HIs on collective and self-diffusion and the accuracy of the MCT method are quantified. It is shown that HIs enhance collective and self-diffusion at intermediate and long times. At short times self-diffusion, and for wavenumbers outside the structure factor peak region also collective diffusion, are slowed down by HIs. MCT significantly overestimates the slowing influence of dynamic particle caging. The dynamic scattering functions obtained in the ASD simulations are in overall good agreement with our dynamic light scattering (DLS) results for a concentration series of charged silica spheres in an organic solvent mixture, in the experimental time window and wavenumber range. From the simulation data for the time derivative of the width function associated with fc(q, t), there is indication of long-time exponential decay of fc(q, t), for wavenumbers around the location of the static structure factor principal peak. The experimental scattering functions in the probed time range are consistent with a time-wavenumber factorization scaling behavior of fc(q, t) that was first reported by Segrè and Pusey [Phys. Rev. Lett. 77, 771 (1996)] for suspensions of hard spheres. Our BD simulation and MCT results predict a significant violation of exact factorization scaling which, however, is approximately restored according to the ASD results when HIs are accounted for, consistent with the experimental findings for fc(q, t). Our study of collective diffusion is amended by simulation and theoretical results for the self-intermediate scattering function, fs(q, t), and its non-Gaussian parameter α2(t) and for the particle mean squared displacement W(t) and its time derivative. Since self-diffusion properties are not assessed in standard DLS measurements, a method to deduce W(t) approximately from fc(q, t) is theoretically validated.

On the possibility of observing bound soliton pairs in a wave-breaking-free mode-locked fiber laser

NASA Astrophysics Data System (ADS)

Martel, G.; Chédot, C.; Réglier, V.; Hideur, A.; Ortaç, B.; Grelu, Ph.

2007-02-01

On the basis of numerical simulations, we explain the formation of the stable bound soliton pairs that were experimentally reported in a high-power mode-locked ytterbium fiber laser [Opt. Express 14, 6075 (2006)], in a regime where wave-breaking-free operation is expected. A fully vectorial model allows one to rigorously reproduce the nonmonotonic nature for the nonlinear polarization effect that generally limits the power scalability of a single-pulse self-similar regime. Simulations show that a self-similar regime is not fully obtained, although positive linear chirps and parabolic spectra are always reported. As a consequence, nonvanishing pulse tails allow distant stable binding of highly-chirped pulses.

LIDT-DD: A New Self-Consistent Debris Disc Model Including Radiation Pressure and Coupling Dynamical and Collisional Evolution

NASA Astrophysics Data System (ADS)

Kral, Q.; Thebault, P.; Charnoz, S.

2014-01-01

The first attempt at developing a fully self-consistent code coupling dynamics and collisions to study debris discs (Kral et al. 2013) is presented. So far, these two crucial mechanisms were studied separately, with N-body and statistical collisional codes respectively, because of stringent computational constraints. We present a new model named LIDT-DD which is able to follow over long timescales the coupled evolution of dynamics (including radiation forces) and collisions in a self-consistent way.

Self-Consistent Model of Magnetospheric Electric Field, Ring Current, Plasmasphere, and Electromagnetic Ion Cyclotron Waves: Initial Results

NASA Technical Reports Server (NTRS)

Gamayunov, K. V.; Khazanov, G. V.; Liemohn, M. W.; Fok, M.-C.; Ridley, A. J.

2009-01-01

Further development of our self-consistent model of interacting ring current (RC) ions and electromagnetic ion cyclotron (EMIC) waves is presented. This model incorporates large scale magnetosphere-ionosphere coupling and treats self-consistently not only EMIC waves and RC ions, but also the magnetospheric electric field, RC, and plasmasphere. Initial simulations indicate that the region beyond geostationary orbit should be included in the simulation of the magnetosphere-ionosphere coupling. Additionally, a self-consistent description, based on first principles, of the ionospheric conductance is required. These initial simulations further show that in order to model the EMIC wave distribution and wave spectral properties accurately, the plasmasphere should also be simulated self-consistently, since its fine structure requires as much care as that of the RC. Finally, an effect of the finite time needed to reestablish a new potential pattern throughout the ionosphere and to communicate between the ionosphere and the equatorial magnetosphere cannot be ignored.

How to model supernovae in simulations of star and galaxy formation

NASA Astrophysics Data System (ADS)

Hopkins, Philip F.; Wetzel, Andrew; Kereš, Dušan; Faucher-Giguère, Claude-André; Quataert, Eliot; Boylan-Kolchin, Michael; Murray, Norman; Hayward, Christopher C.; El-Badry, Kareem

2018-06-01

We study the implementation of mechanical feedback from supernovae (SNe) and stellar mass loss in galaxy simulations, within the Feedback In Realistic Environments (FIRE) project. We present the FIRE-2 algorithm for coupling mechanical feedback, which can be applied to any hydrodynamics method (e.g. fixed-grid, moving-mesh, and mesh-less methods), and black hole as well as stellar feedback. This algorithm ensures manifest conservation of mass, energy, and momentum, and avoids imprinting `preferred directions' on the ejecta. We show that it is critical to incorporate both momentum and thermal energy of mechanical ejecta in a self-consistent manner, accounting for SNe cooling radii when they are not resolved. Using idealized simulations of single SN explosions, we show that the FIRE-2 algorithm, independent of resolution, reproduces converged solutions in both energy and momentum. In contrast, common `fully thermal' (energy-dump) or `fully kinetic' (particle-kicking) schemes in the literature depend strongly on resolution: when applied at mass resolution ≳100 M⊙, they diverge by orders of magnitude from the converged solution. In galaxy-formation simulations, this divergence leads to orders-of-magnitude differences in galaxy properties, unless those models are adjusted in a resolution-dependent way. We show that all models that individually time-resolve SNe converge to the FIRE-2 solution at sufficiently high resolution (<100 M⊙). However, in both idealized single-SN simulations and cosmological galaxy-formation simulations, the FIRE-2 algorithm converges much faster than other sub-grid models without re-tuning parameters.

Nonlinear Delta-f Simulations of Collective Effects in Intense Charged Particle Beams

NASA Astrophysics Data System (ADS)

Qin, Hong

2002-11-01

A nonlinear delta-f particle simulation method based on the Vlasov-Maxwell equations has been recently developed to study collective processes in high-intensity beams, where space-charge and magnetic self-field effects play a critical role in determining the nonlinear beam dynamics. Implemented in the Beam Equilibrium, Stability and Transport (BEST) code, the nonlinear delta-f method provides a low-noise and self-consistent tool for simulating collective interactions and nonlinear dynamics of high-intensity beams in modern and next- generation accelerators and storage rings, such as the Spallation Neutron Source, and heavy ion fusion drivers. Simulation results for the electron-proton two-stream instability in the Proton Storage Ring (PSR) experiment at Los Alamos National Laboratory agree well with experimental observations. Large-scale parallel simulations have also been carried out for the ion-electron two-stream instability in the very high-intensity heavy ion beams envisioned for heavy ion fusion applications. In both cases, the simulation results indicate that the dominant two-stream instability has a dipole-mode (hose-like) structure and can be stabilized by a modest axial momentum spread of the beam particles of less than 0.25collective processes in high-intensity beams, such as anisotropy-driven instabilities, collective eigenmode excitations for perturbations about stable beam equilibria, and the Darwin model for fully electromagnetic perturbations will also be discussed.

Self-Consistent Frequency Sweeping of TAE mode

NASA Astrophysics Data System (ADS)

Wang, Ge

2012-03-01

We have extended our intuitive Toroidal Alfven Wave (TAE) model [1] for describing spontaneous frequency sweeping by a destabilizing component of energetic particles. Now a fully developed self-consistent description for frequency sweeping of an isolated TAE mode has been developed. As in [1], we use the Rosenbluth, Berk,Van Dam tip theory [2], valid for low beta, large aspect ratio, circular tokamaks, to describe the evolution of the TAE wave equation. The wave is coupled to the particle dynamics that uses the Berk, Breizman, Ye map model [3] to construct the particle/wave Lagrangian associated with a phase space dependent mode structure. Then together with the appropriate Vlasov equation for describing the particle dynamics, a set of equations determining the dynamics of the system has been formulated. Adiabatic solutions have been obtained and work is underway in simulating the exact nonlinear dynamics. A status report of our results will be given at the meeting. [4pt] [1] G. Wang and H. L. Berk, Communication in Nonlinear Science and Numerical Simulation 17, 2179 (2012) [0pt] [2] M. N. Rosenbluth,; H. L. Berk, J. Van Dam and D. M. Lingberg, Phys. Rev. Lett. 68, 596 (1992). [0pt] [3] Berk, H.L.; Breizman, B.N.; Ye, H. In: Physics of Fluids B 51993, 1506 (1993)

Relativistic initial conditions for N-body simulations

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

Fidler, Christian; Tram, Thomas; Crittenden, Robert

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.more » 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.« less

Self-consistency tests of large-scale dynamics parameterizations for single-column modeling

DOE PAGES

Edman, Jacob P.; Romps, David M.

2015-03-18

Large-scale dynamics parameterizations are tested numerically in cloud-resolving simulations, including a new version of the weak-pressure-gradient approximation (WPG) introduced by Edman and Romps (2014), the weak-temperature-gradient approximation (WTG), and a prior implementation of WPG. We perform a series of self-consistency tests with each large-scale dynamics parameterization, in which we compare the result of a cloud-resolving simulation coupled to WTG or WPG with an otherwise identical simulation with prescribed large-scale convergence. In self-consistency tests based on radiative-convective equilibrium (RCE; i.e., no large-scale convergence), we find that simulations either weakly coupled or strongly coupled to either WPG or WTG are self-consistent, butmore » WPG-coupled simulations exhibit a nonmonotonic behavior as the strength of the coupling to WPG is varied. We also perform self-consistency tests based on observed forcings from two observational campaigns: the Tropical Warm Pool International Cloud Experiment (TWP-ICE) and the ARM Southern Great Plains (SGP) Summer 1995 IOP. In these tests, we show that the new version of WPG improves upon prior versions of WPG by eliminating a potentially troublesome gravity-wave resonance.« less

Cyclic density functional theory: A route to the first principles simulation of bending in nanostructures

NASA Astrophysics Data System (ADS)

Banerjee, Amartya S.; Suryanarayana, Phanish

2016-11-01

We formulate and implement Cyclic Density Functional Theory (Cyclic DFT) - a self-consistent first principles simulation method for nanostructures with cyclic symmetries. Using arguments based on Group Representation Theory, we rigorously demonstrate that the Kohn-Sham eigenvalue problem for such systems can be reduced to a fundamental domain (or cyclic unit cell) augmented with cyclic-Bloch boundary conditions. Analogously, the equations of electrostatics appearing in Kohn-Sham theory can be reduced to the fundamental domain augmented with cyclic boundary conditions. By making use of this symmetry cell reduction, we show that the electronic ground-state energy and the Hellmann-Feynman forces on the atoms can be calculated using quantities defined over the fundamental domain. We develop a symmetry-adapted finite-difference discretization scheme to obtain a fully functional numerical realization of the proposed approach. We verify that our formulation and implementation of Cyclic DFT is both accurate and efficient through selected examples. The connection of cyclic symmetries with uniform bending deformations provides an elegant route to the ab-initio study of bending in nanostructures using Cyclic DFT. As a demonstration of this capability, we simulate the uniform bending of a silicene nanoribbon and obtain its energy-curvature relationship from first principles. A self-consistent ab-initio simulation of this nature is unprecedented and well outside the scope of any other systematic first principles method in existence. Our simulations reveal that the bending stiffness of the silicene nanoribbon is intermediate between that of graphene and molybdenum disulphide - a trend which can be ascribed to the variation in effective thickness of these materials. We describe several future avenues and applications of Cyclic DFT, including its extension to the study of non-uniform bending deformations and its possible use in the study of the nanoscale flexoelectric effect.

Conduction in fully ionized liquid metals

NASA Technical Reports Server (NTRS)

Stevenson, D. J.; Ashcroft, N. W.

1973-01-01

Electron transport is considered in high density fully ionized liquid metals. Ionic structure is described in terms of hard-sphere correlation functions and the scattering is determined from self-consistently screened point ions. Applications to the physical properties of the deep interior of Jupiter are briefly considered.

Short- and long-time diffusion and dynamic scaling in suspensions of charged colloidal particles.

PubMed

Banchio, Adolfo J; Heinen, Marco; Holmqvist, Peter; Nägele, Gerhard

2018-04-07

We report on a comprehensive theory-simulation-experimental study of collective and self-diffusion in concentrated suspensions of charge-stabilized colloidal spheres. In theory and simulation, the spheres are assumed to interact directly by a hard-core plus screened Coulomb effective pair potential. The intermediate scattering function, f c (q, t), is calculated by elaborate accelerated Stokesian dynamics (ASD) simulations for Brownian systems where many-particle hydrodynamic interactions (HIs) are fully accounted for, using a novel extrapolation scheme to a macroscopically large system size valid for all correlation times. The study spans the correlation time range from the colloidal short-time to the long-time regime. Additionally, Brownian Dynamics (BD) simulation and mode-coupling theory (MCT) results of f c (q, t) are generated where HIs are neglected. Using these results, the influence of HIs on collective and self-diffusion and the accuracy of the MCT method are quantified. It is shown that HIs enhance collective and self-diffusion at intermediate and long times. At short times self-diffusion, and for wavenumbers outside the structure factor peak region also collective diffusion, are slowed down by HIs. MCT significantly overestimates the slowing influence of dynamic particle caging. The dynamic scattering functions obtained in the ASD simulations are in overall good agreement with our dynamic light scattering (DLS) results for a concentration series of charged silica spheres in an organic solvent mixture, in the experimental time window and wavenumber range. From the simulation data for the time derivative of the width function associated with f c (q, t), there is indication of long-time exponential decay of f c (q, t), for wavenumbers around the location of the static structure factor principal peak. The experimental scattering functions in the probed time range are consistent with a time-wavenumber factorization scaling behavior of f c (q, t) that was first reported by Segrè and Pusey [Phys. Rev. Lett. 77, 771 (1996)] for suspensions of hard spheres. Our BD simulation and MCT results predict a significant violation of exact factorization scaling which, however, is approximately restored according to the ASD results when HIs are accounted for, consistent with the experimental findings for f c (q, t). Our study of collective diffusion is amended by simulation and theoretical results for the self-intermediate scattering function, f s (q, t), and its non-Gaussian parameter α 2 (t) and for the particle mean squared displacement W(t) and its time derivative. Since self-diffusion properties are not assessed in standard DLS measurements, a method to deduce W(t) approximately from f c (q, t) is theoretically validated.

Relativistic N-body simulations with massive neutrinos

NASA Astrophysics Data System (ADS)

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.

Self-sustaining turbulence in a restricted nonlinear model of plane Couette flow

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

Thomas, Vaughan L.; Gayme, Dennice F.; Lieu, Binh K.

2014-10-15

This paper demonstrates the maintenance of self-sustaining turbulence in a restricted nonlinear (RNL) model of plane Couette flow. The RNL system is derived directly from the Navier-Stokes equations and permits higher resolution studies of the dynamical system associated with the stochastic structural stability theory (S3T) model, which is a second order approximation of the statistical state dynamics of the flow. The RNL model shares the dynamical restrictions of the S3T model but can be easily implemented by reducing a DNS code so that it retains only the RNL dynamics. Comparisons of turbulence arising from DNS and RNL simulations demonstrate thatmore » the RNL system supports self-sustaining turbulence with a mean flow as well as structural and dynamical features that are consistent with DNS. These results demonstrate that the simplified RNL system captures fundamental aspects of fully developed turbulence in wall-bounded shear flows and motivate use of the RNL/S3T framework for further study of wall-turbulence.« less

Symplectic multiparticle tracking model for self-consistent space-charge simulation

DOE PAGES

Qiang, Ji

2017-01-23

Symplectic tracking is important in accelerator beam dynamics simulation. So far, to the best of our knowledge, there is no self-consistent symplectic space-charge tracking model available in the accelerator community. In this paper, we present a two-dimensional and a three-dimensional symplectic multiparticle spectral model for space-charge tracking simulation. This model includes both the effect from external fields and the effect of self-consistent space-charge fields using a split-operator method. Such a model preserves the phase space structure and shows much less numerical emittance growth than the particle-in-cell model in the illustrative examples.

Symplectic multiparticle tracking model for self-consistent space-charge simulation

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

Qiang, Ji

Symplectic tracking is important in accelerator beam dynamics simulation. So far, to the best of our knowledge, there is no self-consistent symplectic space-charge tracking model available in the accelerator community. In this paper, we present a two-dimensional and a three-dimensional symplectic multiparticle spectral model for space-charge tracking simulation. This model includes both the effect from external fields and the effect of self-consistent space-charge fields using a split-operator method. Such a model preserves the phase space structure and shows much less numerical emittance growth than the particle-in-cell model in the illustrative examples.

Dynamics of tokamak plasma surface current in 3D ideal MHD model

NASA Astrophysics Data System (ADS)

Galkin, Sergei A.; Svidzinski, V. A.; Zakharov, L. E.

2013-10-01

Interest in the surface current which can arise on perturbed sharp plasma vacuum interface in tokamaks was recently generated by a few papers (see and references therein). In dangerous disruption events with plasma-touching-wall scenarios, the surface current can be shared with the wall leading to the strong, damaging forces acting on the wall A relatively simple analytic definition of δ-function surface current proportional to a jump of tangential component of magnetic field nevertheless leads to a complex computational problem on the moving plasma-vacuum interface, requiring the incorporation of non-linear 3D plasma dynamics even in one-fluid ideal MHD. The Disruption Simulation Code (DSC), which had recently been developed in a fully 3D toroidal geometry with adaptation to the moving plasma boundary, is an appropriate tool for accurate self-consistent δfunction surface current calculation. Progress on the DSC-3D development will be presented. Self-consistent surface current calculation under non-linear dynamics of low m kink mode and VDE will be discussed. Work is supported by the US DOE SBIR grant #DE-SC0004487.

Elementary Pre-Service Teachers' Response-Shift Bias: Self-Efficacy and Attitudes toward Science

ERIC Educational Resources Information Center

Cartwright, Tina J.; Atwood, Jon

2014-01-01

Response-shift bias occurs when participants' initial constructs, such as self-efficacy in teaching science, are incomplete because they do not fully conceptualize something they have yet to experience. This study examines whether elementary pre-service teachers can consistently evaluate constructs such as self-efficacy and attitudes toward…

Full self-consistency in the Fermi-orbital self-interaction correction

NASA Astrophysics Data System (ADS)

Yang, Zeng-hui; Pederson, Mark R.; Perdew, John P.

2017-05-01

The Perdew-Zunger self-interaction correction cures many common problems associated with semilocal density functionals, but suffers from a size-extensivity problem when Kohn-Sham orbitals are used in the correction. Fermi-Löwdin-orbital self-interaction correction (FLOSIC) solves the size-extensivity problem, allowing its use in periodic systems and resulting in better accuracy in finite systems. Although the previously published FLOSIC algorithm Pederson et al., J. Chem. Phys. 140, 121103 (2014)., 10.1063/1.4869581 appears to work well in many cases, it is not fully self-consistent. This would be particularly problematic for systems where the occupied manifold is strongly changed by the correction. In this paper, we demonstrate a different algorithm for FLOSIC to achieve full self-consistency with only marginal increase of computational cost. The resulting total energies are found to be lower than previously reported non-self-consistent results.

Self-consistent phonon theory of the crystallization and elasticity of attractive hard spheres.

PubMed

Shin, Homin; Schweizer, Kenneth S

2013-02-28

We propose an Einstein-solid, self-consistent phonon theory for the crystal phase of hard spheres that interact via short-range attractions. The approach is first tested against the known behavior of hard spheres, and then applied to homogeneous particles that interact via short-range square well attractions and the Baxter adhesive hard sphere model. Given the crystal symmetry, packing fraction, and strength and range of attractive interactions, an effective harmonic potential experienced by a particle confined to its Wigner-Seitz cell and corresponding mean square vibrational amplitude are self-consistently calculated. The crystal free energy is then computed and, using separate information about the fluid phase free energy, phase diagrams constructed, including a first-order solid-solid phase transition and its associated critical point. The simple theory qualitatively captures all the many distinctive features of the phase diagram (critical and triple point, crystal-fluid re-entrancy, low-density coexistence curve) as a function of attraction range, and overall is in good semi-quantitative agreement with simulation. Knowledge of the particle localization length allows the crystal shear modulus to be estimated based on elementary ideas. Excellent predictions are obtained for the hard sphere crystal. Expanded and condensed face-centered cubic crystals are found to have qualitatively different elastic responses to varying attraction strength or temperature. As temperature increases, the expanded entropic solid stiffens, while the energy-controlled, fully-bonded dense solid softens.

Capping Ligand Vortices as “Atomic Orbitals” in Nanocrystal Self-Assembly

DOE PAGES

Waltmann, Curt; Horst, Nathan; Travesset, Alex

2017-10-27

In this work, we present a detailed analysis of the interaction between two nanocrystals capped with ligands consisting of hydrocarbon chains by united atom molecular dynamics simulations. We show that the bonding of two nanocrystals is characterized by ligand textures in the form of vortices. These results are generalized to nanocrystals of different types (differing core and ligand sizes) where the structure of the vortices depends on the softness asymmetry. We provide rigorous calculations for the binding free energy, show that these energies are independent of the chemical composition of the cores, and derive analytical formulas for the equilibrium separation.more » We discuss the implications of our results for the self-assembly of single-component and binary nanoparticle superlattices. Overall, our results show that the structure of the ligands completely determines the bonding of nanocrystals, fully supporting the predictions of the recently proposed Orbifold topological model.« less

Height, social comparison, and paranoia: An immersive virtual reality experimental study

PubMed Central

Freeman, Daniel; Evans, Nicole; Lister, Rachel; Antley, Angus; Dunn, Graham; Slater, Mel

2014-01-01

Mistrust of others may build upon perceptions of the self as vulnerable, consistent with an association of paranoia with perceived lower social rank. Height is a marker of social status and authority. Therefore we tested the effect of manipulating height, as a proxy for social rank, on paranoia. Height was manipulated within an immersive virtual reality simulation. Sixty females who reported paranoia experienced a virtual reality train ride twice: at their normal and reduced height. Paranoia and social comparison were assessed. Reducing a person's height resulted in more negative views of the self in comparison with other people and increased levels of paranoia. The increase in paranoia was fully mediated by changes in social comparison. The study provides the first demonstration that reducing height in a social situation increases the occurrence of paranoia. The findings indicate that negative social comparison is a cause of mistrust. PMID:24924485

Capping Ligand Vortices as "Atomic Orbitals" in Nanocrystal Self-Assembly.

PubMed

Waltmann, Curt; Horst, Nathan; Travesset, Alex

2017-11-28

We present a detailed analysis of the interaction between two nanocrystals capped with ligands consisting of hydrocarbon chains by united atom molecular dynamics simulations. We show that the bonding of two nanocrystals is characterized by ligand textures in the form of vortices. These results are generalized to nanocrystals of different types (differing core and ligand sizes) where the structure of the vortices depends on the softness asymmetry. We provide rigorous calculations for the binding free energy, show that these energies are independent of the chemical composition of the cores, and derive analytical formulas for the equilibrium separation. We discuss the implications of our results for the self-assembly of single-component and binary nanoparticle superlattices. Overall, our results show that the structure of the ligands completely determines the bonding of nanocrystals, fully supporting the predictions of the recently proposed Orbifold topological model.

Self Consistent Bathymetric Mapping From Robotic Vehicles in the Deep Ocean

DTIC Science & Technology

2005-06-01

that have been aligned in a consistent manner. Experimental results from the fully automated processing of a multibeam survey over the TAG hydrothermal structure at the Mid-Atlantic ridge are presented to validate the proposed method.

A New Simulation Framework for the Electron-Ion Collider

NASA Astrophysics Data System (ADS)

Arrington, John

2017-09-01

Last year, a collaboration between Physics Division and High-Energy Physics at Argonne was formed to enable significantly broader contributions to the development of the Electron-Ion Collider. This includes efforts in accelerator R&D, theory, simulations, and detector R&D. I will give a brief overview of the status of these efforts, with emphasis on the aspects aimed at enabling the community to more easily become involved in evaluation of physics, detectors, and details of spectrometer designs. We have put together a new, easy-to-use simulation framework using flexible software tools. The goal is to enable detailed simulations to evaluate detector performance and compare detector designs. In addition, a common framework capable of providing detailed simulations of different spectrometer designs will allow for fully consistent evaluations of the physics reach of different spectrometer designs or detector systems for a variety of physics channels. In addition, new theory efforts will provide self-consistent models of GPDs (including QCD evolution) and TMDs in nucleons and light nuclei, as well as providing more detailed physics input for the evaluation of some new observables. This material is based upon work supported by Laboratory Directed Research and Development (LDRD) funding from Argonne National Laboratory, provided by the Director, Office of Science, of the U.S. Department of Energy under Contract DE-AC02-06CH11357.

Kinetic Simulations of Type II Radio Burst Emission Processes

NASA Astrophysics Data System (ADS)

Ganse, U.; Spanier, F. A.; Vainio, R. O.

2011-12-01

The fundamental emission process of Type II Radio Bursts has been under discussion for many decades. While analytic deliberations point to three wave interaction as the source for fundamental and harmonic radio emissions, sparse in-situ observational data and high computational demands for kinetic simulations have not allowed for a definite conclusion to be reached. A popular model puts the radio emission into the foreshock region of a coronal mass ejection's shock front, where shock drift acceleration can create eletrcon beam populations in the otherwise quiescent foreshock plasma. Beam-driven instabilities are then assumed to create waves, forming the starting point of three wave interaction processes. Using our kinetic particle-in-cell code, we have studied a number of emission scenarios based on electron beam populations in a CME foreshock, with focus on wave-interaction microphysics on kinetic scales. The self-consistent, fully kinetic simulations with completely physical mass-ratio show fundamental and harmonic emission of transverse electromagnetic waves and allow for detailled statistical analysis of all contributing wavemodes and their couplings.

Simulation of the westward traveling surge and Pi 2 pulsations during substorms

NASA Technical Reports Server (NTRS)

Kan, J. R.; Sun, W.

1985-01-01

The westward traveling surge and the Pi2 pulsations are simulated as a consequence of an enhanced magnetospheric convection in a model of magnetosphere coupling. The coupling is characterized by the bouncing of Alfven waves launched by the enhanced convection. The reflection of Alfven waves from the ionosphere is treated in which the height-integrated conductivity is allowed to be highly nonuniform and fully anisotropic. The reflection of Alfven waves from the magnetosphere is characterized by the coefficient Rm, depending on whether the field lines are open or closed. The conductivity in the model is self-consistently enhanced with increasing upward field-aligned current density. The results of the simulation, including the convection pattern, the electrojets, the field-aligned current, the conductivity enhancement, the oscillation of the westward electrojet, and the average speed of the westward surge are in reasonable agreement with the features of the westward traveling surge and the Pi 2 pulsations observed during substorms.

Tempest Neoclassical Simulation of Fusion Edge Plasmas

NASA Astrophysics Data System (ADS)

Xu, X. Q.; Xiong, Z.; Cohen, B. I.; Cohen, R. H.; Dorr, M.; Hittinger, J.; Kerbel, G. D.; Nevins, W. M.; Rognlien, T. D.

2006-04-01

We are developing a continuum gyrokinetic full-F code, TEMPEST, to simulate edge plasmas. The geometry is that of a fully diverted tokamak and so includes boundary conditions for both closed magnetic flux surfaces and open field lines. The code, presently 4-dimensional (2D2V), includes kinetic ions and electrons, a gyrokinetic Poisson solver for electric field, and the nonlinear Fokker-Planck collision operator. Here we present the simulation results of neoclassical transport with Boltzmann electrons. In a large aspect ratio circular geometry, excellent agreement is found for neoclassical equilibrium with parallel flows in the banana regime without a temperature gradient. In divertor geometry, it is found that the endloss of particles and energy induces pedestal-like density and temperature profiles inside the magnetic separatrix and parallel flow stronger than the neoclassical predictions in the SOL. The impact of the X-point divertor geometry on the self-consistent electric field and geo-acoustic oscillations will be reported. We will also discuss the status of extending TEMPEST into a 5-D code.

Four-Dimensional Continuum Gyrokinetic Code: Neoclassical Simulation of Fusion Edge Plasmas

NASA Astrophysics Data System (ADS)

Xu, X. Q.

2005-10-01

We are developing a continuum gyrokinetic code, TEMPEST, to simulate edge plasmas. Our code represents velocity space via a grid in equilibrium energy and magnetic moment variables, and configuration space via poloidal magnetic flux and poloidal angle. The geometry is that of a fully diverted tokamak (single or double null) and so includes boundary conditions for both closed magnetic flux surfaces and open field lines. The 4-dimensional code includes kinetic electrons and ions, and electrostatic field-solver options, and simulates neoclassical transport. The present implementation is a Method of Lines approach where spatial finite-differences (higher order upwinding) and implicit time advancement are used. We present results of initial verification and validation studies: transition from collisional to collisionless limits of parallel end-loss in the scrape-off layer, self-consistent electric field, and the effect of the real X-point geometry and edge plasma conditions on the standard neoclassical theory, including a comparison of our 4D code with other kinetic neoclassical codes and experiments.

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

Carbajal, L.; Warwick Univ., Coventry; Dendy, R. O.

Ion cyclotron emission (ICE) offers unique promise as a diagnostic of the fusion born alpha-particle population in magnetically confined plasmas. Pioneering observations from JET and TFTR found that ICE intensity P ICE scales approximately linearly with the measured neutron flux from fusion reactions, and with the inferred concentration, n /n i , of fusion-born alpha-particles confined within the plasma. We present fully nonlinear self-consistent kinetic simulations that reproduce this scaling for the first time. This resolves a longstanding question in the physics of fusion alpha particle confinement and stability in MCF plasmas. It confirms the MCI as the likely emissionmore » mechanism and greatly strengthens the basis for diagnostic exploitation of ICE in future burning plasmas.« less

Small firm self-insurance under the Affordable Care Act.

PubMed

Buettgens, Matthew; Blumberg, Linda J

2012-11-01

The Affordable Care Act changes the small-group insurance market substan­tially beginning in 2014, but most changes do not apply to self-insured plans. This exemp­tion provides an opening for small employers with healthier workers to avoid broader sharing of health care risk, isolating higher-cost groups in the fully insured market. Private stop-loss or reinsurance plans can mediate the risk of self-insurance for small employ­ers, facilitating the decision to self-insure. We simulate small-employer coverage decisions under the law and find that low-risk stop-loss policies lead to higher premiums in the fully insured small-group market. Average single premiums would be up to 25 percent higher, if stop-loss insurance with no additional risk to employers than fully insuring is allowed--an option available in most states absent further government action. Regulation of stop-loss at the federal or state level can, however, prevent such adverse selection and increase stabil­ity in small-group insurance coverage.

Self-aligned photolithography for the fabrication of fully transparent high-voltage devices

NASA Astrophysics Data System (ADS)

Zhang, Yonghui; Mei, Zengxia; Huo, Wenxing; Wang, Tao; Liang, Huili; Du, Xiaolong

2018-05-01

High-voltage devices, working in the range of hundreds of volts, are indispensable elements in the driving or readout circuits for various kinds of displays, integrated microelectromechanical systems and x-ray imaging sensors. However, the device performances are found hardly uniform or repeatable due to the misalignment issue, which are extremely common for offset drain high-voltage devices. To resolve this issue, this article reports a set of self-aligned photolithography technology for the fabrication of high-voltage devices. High-performance fully-transparent high-voltage thin film transistors, diodes and logic inverters are successfully fabricated with this technology. Unlike other self-aligned routes, opaque masks are introduced on the backside of the transparent substrate to facilitate proximity exposure method. The photolithography process is simulated and analyzed with technology computer aided design simulation to explain the working principle of the proximity exposure method. The substrate thickness is found to be vital for the implementation of this technology based on both simulation and experimental results. The electrical performance of high-voltage devices is dependent on the offset length, which can be delicately modulated by changing the exposure dose. The presented self-aligned photolithography technology is proved to be feasible in high-voltage circuits, demonstrating its huge potential in practical industrial applications.

Simulating Self-Assembly with Simple Models

NASA Astrophysics Data System (ADS)

Rapaport, D. C.

Results from recent molecular dynamics simulations of virus capsid self-assembly are described. The model is based on rigid trapezoidal particles designed to form polyhedral shells of size 60, together with an atomistic solvent. The underlying bonding process is fully reversible. More extensive computations are required than in previous work on icosahedral shells built from triangular particles, but the outcome is a high yield of closed shells. Intermediate clusters have a variety of forms, and bond counts provide a useful classification scheme

Fully Kinetic Large-scale Simulations of the Collisionless Magnetorotational Instability

NASA Astrophysics Data System (ADS)

Inchingolo, Giannandrea; Grismayer, Thomas; Loureiro, Nuno F.; Fonseca, Ricardo A.; Silva, Luis O.

2018-06-01

We present two-dimensional particle-in-cell simulations of the fully kinetic collisionless magnetorotational instability (MRI) in weakly magnetized (high β) pair plasma. The central result of this numerical analysis is the emergence of a self-induced turbulent regime in the saturation state of the collisionless MRI, which can only be captured for large enough simulation domains. One of the underlying mechanisms for the development of this turbulent state is the drift-kink instability (DKI) of the current sheets resulting from the nonlinear evolution of the channel modes. The onset of the DKI can only be observed for simulation domain sizes exceeding several linear MRI wavelengths. The DKI and ensuing magnetic reconnection activate the turbulent motion of the plasma in the late stage of the nonlinear evolution of the MRI. At steady-state, the magnetic energy has an MHD-like spectrum with a slope of k ‑5/3 for kρ < 1 and k ‑3 for sub-Larmor scale (kρ > 1). We also examine the role of the collisionless MRI and associated magnetic reconnection in the development of pressure anisotropy. We study the stability of the system due to this pressure anisotropy, observing the development of mirror instability during the early-stage of the MRI. We further discuss the importance of magnetic reconnection for particle acceleration during the turbulence regime. In particular, consistent with reconnection studies, we show that at late times the kinetic energy presents a characteristic slope of ɛ ‑2 in the high-energy region.

Cosmic Reionization On Computers III. The Clumping Factor

DOE PAGES

Kaurov, Alexander A.; Gnedin, Nickolay Y.

2015-09-09

We use fully self-consistent numerical simulations of cosmic reionization, completed under the Cosmic Reionization On Computers project, to explore how well the recombinations in the ionized intergalactic medium (IGM) can be quantified by the effective "clumping factor." The density distribution in the simulations (and, presumably, in a real universe) is highly inhomogeneous and more-or-less smoothly varying in space. However, even in highly complex and dynamic environments, the concept of the IGM remains reasonably well-defined; the largest ambiguity comes from the unvirialized regions around galaxies that are over-ionized by the local enhancement in the radiation field ("proximity zones"). This ambiguity precludesmore » computing the IGM clumping factor to better than about 20%. Furthermore, we discuss a "local clumping factor," defined over a particular spatial scale, and quantify its scatter on a given scale and its variation as a function of scale.« less

Cosmic Reionization On Computers III. The Clumping Factor

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

Kaurov, Alexander A.; Gnedin, Nickolay Y.

We use fully self-consistent numerical simulations of cosmic reionization, completed under the Cosmic Reionization On Computers project, to explore how well the recombinations in the ionized intergalactic medium (IGM) can be quantified by the effective "clumping factor." The density distribution in the simulations (and, presumably, in a real universe) is highly inhomogeneous and more-or-less smoothly varying in space. However, even in highly complex and dynamic environments, the concept of the IGM remains reasonably well-defined; the largest ambiguity comes from the unvirialized regions around galaxies that are over-ionized by the local enhancement in the radiation field ("proximity zones"). This ambiguity precludesmore » computing the IGM clumping factor to better than about 20%. Furthermore, we discuss a "local clumping factor," defined over a particular spatial scale, and quantify its scatter on a given scale and its variation as a function of scale.« less

COSMIC REIONIZATION ON COMPUTERS. III. THE CLUMPING FACTOR

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

Kaurov, Alexander A.; Gnedin, Nickolay Y., E-mail: kaurov@uchicago.edu, E-mail: gnedin@fnal.gov

We use fully self-consistent numerical simulations of cosmic reionization, completed under the Cosmic Reionization On Computers project, to explore how well the recombinations in the ionized intergalactic medium (IGM) can be quantified by the effective “clumping factor.” The density distribution in the simulations (and, presumably, in a real universe) is highly inhomogeneous and more-or-less smoothly varying in space. However, even in highly complex and dynamic environments, the concept of the IGM remains reasonably well-defined; the largest ambiguity comes from the unvirialized regions around galaxies that are over-ionized by the local enhancement in the radiation field (“proximity zones”). That ambiguity precludesmore » computing the IGM clumping factor to better than about 20%. We also discuss a “local clumping factor,” defined over a particular spatial scale, and quantify its scatter on a given scale and its variation as a function of scale.« less

A new physics-based modeling approach for tsunami-ionosphere coupling

NASA Astrophysics Data System (ADS)

Meng, X.; Komjathy, A.; Verkhoglyadova, O. P.; Yang, Y.-M.; Deng, Y.; Mannucci, A. J.

2015-06-01

Tsunamis can generate gravity waves propagating upward through the atmosphere, inducing total electron content (TEC) disturbances in the ionosphere. To capture this process, we have implemented tsunami-generated gravity waves into the Global Ionosphere-Thermosphere Model (GITM) to construct a three-dimensional physics-based model WP (Wave Perturbation)-GITM. WP-GITM takes tsunami wave properties, including the wave height, wave period, wavelength, and propagation direction, as inputs and time-dependently characterizes the responses of the upper atmosphere between 100 km and 600 km altitudes. We apply WP-GITM to simulate the ionosphere above the West Coast of the United States around the time when the tsunami associated with the March 2011 Tohuku-Oki earthquke arrived. The simulated TEC perturbations agree with Global Positioning System observations reasonably well. For the first time, a fully self-consistent and physics-based model has reproduced the GPS-observed traveling ionospheric signatures of an actual tsunami event.

Dynamics of the baryonic component in hierarchical clustering universes

NASA Technical Reports Server (NTRS)

Navarro, Julio

1993-01-01

I present self-consistent 3-D simulations of the formation of virialized systems containing both gas and dark matter in a flat universe. A fully Lagrangian code based on the Smoothed Particle Hydrodynamics technique and a tree data structure has been used to evolve regions of comoving radius 2-3 Mpc. Tidal effects are included by coarse-sampling the density of the outer regions up to a radius approx. 20 Mpc. Initial conditions are set at high redshift (z greater than 7) using a standard Cold Dark Matter perturbation spectrum and a baryon mass fraction of 10 percent (omega(sub b) = 0.1). Simulations in which the gas evolves either adiabatically or radiates energy at a rate determined locally by its cooling function were performed. This allows us to investigate with the same set of simulations the importance of radiative losses in the formation of galaxies and the equilibrium structure of virialized systems where cooling is very inefficient. In the absence of radiative losses, the simulations can be rescaled to the density and radius typical of galaxy clusters. A summary of the main results is presented.

Fully Implict Magneto-hydrodynamics Simulations of Coaxial Plasma Accelerators

DOE PAGES

Subramaniam, Vivek; Raja, Laxminarayan L.

2017-01-05

The resistive Magneto-Hydrodynamic (MHD) model describes the behavior of a strongly ionized plasma in the presence of external electric and magnetic fields. We developed a fully implicit MHD simulation tool to solve the resistive MHD governing equations in the context of a cell-centered finite-volume scheme. The primary objective of this study is to use the fully-implicit algorithm to obtain insights into the plasma acceleration and jet formation processes in Coaxial Plasma accelerators; electromagnetic acceleration devices that utilize self-induced magnetic fields to accelerate thermal plasmas to large velocities. We also carry out plasma-surface simulations in order to study the impact interactionsmore » when these high velocity plasma jets impinge on target material surfaces. Scaling studies are carried out to establish some basic functional relationships between the target-stagnation conditions and the current discharged between the coaxial electrodes.« less

Direct simulation Monte Carlo investigation of the Richtmyer-Meshkov instability

DOE PAGES

Gallis, Michail A.; Koehler, Timothy P.; Torczynski, John R.; ...

2015-08-14

The Rayleigh-Taylor instability (RTI) is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce all qualitative features of the RTI and are in reasonable quantitative agreement with existing theoretical and empirical models in the linear, nonlinear, and self-similar regimes. At late times, the instability is seen to exhibit a self-similar behavior, in agreement with experimental observations. Formore » the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Vection during conflicting multisensory information about the axis, magnitude, and direction of self-motion.

PubMed

Ash, April; Palmisano, Stephen

2012-01-01

We examined the vection induced by consistent and conflicting multisensory information about self-motion. Observers viewed displays simulating constant-velocity self-motion in depth while physically oscillating their heads left-right or back-forth in time with a metronome. Their tracked head movements were either ignored or incorporated directly into the self-motion display (as an added simulated self-acceleration). When this head oscillation was updated into displays, sensory conflict was generated by simulating oscillation along: (i) an orthogonal axis to the head movement; or (ii) the same axis, but in a non-ecological direction. Simulated head oscillation always produced stronger vection than 'no display oscillation'--even when the axis/direction of this display motion was inconsistent with the physical head motion. When head-and-display oscillation occurred along the same axis: (i) consistent (in-phase) horizontal display oscillation produced stronger vection than conflicting (out-of-phase) horizontal display oscillation; however, (ii) consistent and conflicting depth oscillation conditions did not induce significantly different vection. Overall, orthogonal-axis oscillation was found to produce very similar vection to same-axis oscillation. Thus, we conclude that while vection appears to be very robust to sensory conflict, there are situations where sensory consistency improves vection.

Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

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

Gallis, M. A.; Koehler, T. P.; Torczynski, J. R.

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters themore » self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability

DOE PAGES

Gallis, M. A.; Koehler, T. P.; Torczynski, J. R.; ...

2016-08-31

In this paper, the Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters themore » self-similar regime, in agreement with experimental observations. Finally, for the conditions simulated, diffusion can influence the initial instability growth significantly.« less

Self-consistent simulation of radio frequency multipactor on micro-grooved dielectric surface

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

Cai, Libing; Wang, Jianguo, E-mail: wanguiuc@mail.xjtu.edu.cn; Northwest Institute of Nuclear Technology, Xi'an, Shaanxi 710024

2015-02-07

The multipactor plays a key role in the surface breakdown on the feed dielectric window irradiated by high power microwave. To study the suppression of multipactor, a 2D electrostatic PIC-MCC simulation code was developed. The space charge field, including surface deposited charge and multipactor electron charge field, is obtained by solving 2D Poisson's equation in time. Therefore, the simulation is self-consistent and does not require presetting a fixed space charge field. By using this code, the self-consistent simulation of the RF multipactor on the periodic micro-grooved dielectric surface is realized. The 2D space distributions of the multipactor electrons and spacemore » charge field are presented. From the simulation results, it can be found that only half slopes have multipactor discharge when the slope angle exceeds a certain value, and the groove presents a pronounced suppression effect on the multipactor.« less

The interaction with the lower ionosphere of electromagnetic pulses from lightning: Excitation of optical emissions

NASA Technical Reports Server (NTRS)

Taranenko, Y. N.; Inan, U. S.; Bell, T. F.

1993-01-01

A self consistent and fully kinetic simulation of the interaction of lightning radiated electromagnetic (EM) pulses with the nighttime lower ionosphere indicates that optical emissions observable with conventional instruments would be excited. For example, emissions of the 1st and 2nd positive bands of N2 occur at rates reaching 7 x 10(exp 7) and 10(exp 7) cu cm/s respectively at 92 km altitude for a lightning discharge with an electric field E(sub 100) = 20 V/m (normalized to a 100 km distance). The maximum height integrated intensities of these emissions are 4 x 10(exp 7) and 6 x 10(exp 6) R respectively, lasting for approx. 50 micrometers.

Lattice Boltzmann simulations of the bead-spring microswimmer with a responsive stroke—from an individual to swarms

NASA Astrophysics Data System (ADS)

Pickl, Kristina; Pande, Jayant; Köstler, Harald; Rüde, Ulrich; Smith, Ana-Sunčana

2017-03-01

Propulsion at low Reynolds numbers is often studied by defining artificial microswimmers which exhibit a particular stroke. The disadvantage of such an approach is that the stroke does not adjust to the environment, in particular the fluid flow, which can diminish the effect of hydrodynamic interactions. To overcome this limitation, we simulate a microswimmer consisting of three beads connected by springs and dampers, using the self-developed waLBerla and pe framework based on the lattice Boltzmann method and the discrete element method. In our approach, the swimming stroke of a swimmer emerges as a balance of the drag, the driving and the elastic internal forces. We validate the simulations by comparing the obtained swimming velocity to the velocity found analytically using a perturbative method where the bead oscillations are taken to be small. Including higher-order terms in the hydrodynamic interactions between the beads improves the agreement to the simulations in parts of the parameter space. Encouraged by the agreement between the theory and the simulations and aided by the massively parallel capabilities of the waLBerla-pe framework, we simulate more than ten thousand such swimmers together, thus presenting the first fully resolved simulations of large swarms with active responsive components.

Numerical Modeling of Self-Pressurization and Pressure Control by Thermodynamic Vent System in a Cryogenic Tank

NASA Technical Reports Server (NTRS)

Majumdar, Alok; Valenzuela, Juan; LeClair, Andre; Moder, Jeff

2015-01-01

This paper presents a numerical model of a system-level test bed - the multipurpose hydrogen test bed (MHTB) using Generalized Fluid System Simulation Program (GFSSP). MHTB is representative in size and shape of a fully integrated space transportation vehicle liquid hydrogen (LH2) propellant tank and was tested at Marshall Space Flight Center (MSFC) to generate data for cryogenic storage. GFSSP is a finite volume based network flow analysis software developed at MSFC and used for thermo-fluid analysis of propulsion systems. GFSSP has been used to model the self-pressurization and ullage pressure control by Thermodynamic Vent System (TVS). A TVS typically includes a Joule-Thompson (J-T) expansion device, a two-phase heat exchanger, and a mixing pump and spray to extract thermal energy from the tank without significant loss of liquid propellant. Two GFSSP models (Self-Pressurization & TVS) were separately developed and tested and then integrated to simulate the entire system. Self-Pressurization model consists of multiple ullage nodes, propellant node and solid nodes; it computes the heat transfer through Multi-Layer Insulation blankets and calculates heat and mass transfer between ullage and liquid propellant and ullage and tank wall. TVS model calculates the flow through J-T valve, heat exchanger and spray and vent systems. Two models are integrated by exchanging data through User Subroutines of both models. The integrated models results have been compared with MHTB test data of 50% fill level. Satisfactory comparison was observed between test and numerical predictions.

Quasi-Dynamic Versus Fully-Dynamic Simulations of Slip Accumulation on Faults with Enhanced Dynamic Weakening

NASA Astrophysics Data System (ADS)

Lapusta, N.; Thomas, M.; Noda, H.; Avouac, J.

2012-12-01

Long-term simulations that incorporate both seismic events and aseismic slip are quite important for studies of earthquake physics but challenging computationally. To study long deformation histories, most simulation methods do not incorporate full inertial effects (wave propagation) during simulated earthquakes, using quasi-dynamic approximations instead. Here we compare the results of quasi-dynamic simulations to the fully dynamic ones for a range of problems to determine the applicability of the quasi-dynamic approach. Intuitively, the quasi-dynamic approach should do relatively well in problems where wave-mediated effects are relatively simple but should have substantially different (and hence wrong) response when the wave-mediated stress transfers dominate the character of the seismic events. This is exactly what we observe in our simulations. We consider a 2D model of a rate-and-state fault with a seismogenic (steady-state velocity-weakening) zone surrounded by creeping (steady-state velocity-strengthening) areas. If the seismogenic zone is described by the standard Dieterich-Ruina rate-and-state friction, the resulting earthquake sequences consist of relatively simple crack-like ruptures, and the inclusion of true wave-propagation effects mostly serves to concentrate stress more efficiently at the rupture front. Hence, in such models, rupture speeds and slip rates are significantly (several times) lower in the quasi-dynamic simulations compared to the fully dynamic ones, but the total slip, the crack-like nature of seismic events, and the overall pattern of earthquake sequences is comparable, consistently with prior studies. Such behavior can be classified as qualitatively similar but quantitatively different, and it motivates the popularity of the quasi-dynamic methods in simulations. However, the comparison changes dramatically once we consider a model with enhanced dynamic weakening in the seismogenic zone in the form of flash heating. In this case, the fully dynamic simulations produce seismic ruptures in the form of short-duration slip pulses, where the pulses form due to a combination of enhanced weakening and wave effects. The quasi-dynamic simulations in the same model produce completely different results, with large crack-like ruptures, different total slips, different rupture patterns, and different prestress state before large, model-spanning events. Such qualitative differences between the quasi-dynamic and fully-dynamic simulation should result in any model where inertial effects lead to qualitative differences, such as cases with supershear transition or fault with different materials on the two sides. We will present results on our current work on how the quasi-dynamic and fully dynamic simulations compare for the cases with heterogeneous fault properties.

A self-consistent first-principle based approach to model carrier mobility in organic materials

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

Meded, Velimir; Friederich, Pascal; Symalla, Franz

2015-12-31

Transport through thin organic amorphous films, utilized in OLEDs and OPVs, has been a challenge to model by using ab-initio methods. Charge carrier mobility depends strongly on the disorder strength and reorganization energy, both of which are significantly affected by the details in environment of each molecule. Here we present a multi-scale approach to describe carrier mobility in which the materials morphology is generated using DEPOSIT, a Monte Carlo based atomistic simulation approach, or, alternatively by molecular dynamics calculations performed with GROMACS. From this morphology we extract the material specific hopping rates, as well as the on-site energies using amore » fully self-consistent embedding approach to compute the electronic structure parameters, which are then used in an analytic expression for the carrier mobility. We apply this strategy to compute the carrier mobility for a set of widely studied molecules and obtain good agreement between experiment and theory varying over several orders of magnitude in the mobility without any freely adjustable parameters. The work focuses on the quantum mechanical step of the multi-scale workflow, explains the concept along with the recently published workflow optimization, which combines density functional with semi-empirical tight binding approaches. This is followed by discussion on the analytic formula and its agreement with established percolation fits as well as kinetic Monte Carlo numerical approaches. Finally, we skatch an unified multi-disciplinary approach that integrates materials science simulation and high performance computing, developed within EU project MMM@HPC.« less

Finite-element 3D simulation tools for high-current relativistic electron beams

NASA Astrophysics Data System (ADS)

Humphries, Stanley; Ekdahl, Carl

2002-08-01

The DARHT second-axis injector is a challenge for computer simulations. Electrons are subject to strong beam-generated forces. The fields are fully three-dimensional and accurate calculations at surfaces are critical. We describe methods applied in OmniTrak, a 3D finite-element code suite that can address DARHT and the full range of charged-particle devices. The system handles mesh generation, electrostatics, magnetostatics and self-consistent particle orbits. The MetaMesh program generates meshes of conformal hexahedrons to fit any user geometry. The code has the unique ability to create structured conformal meshes with cubic logic. Organized meshes offer advantages in speed and memory utilization in the orbit and field solutions. OmniTrak is a versatile charged-particle code that handles 3D electric and magnetic field solutions on independent meshes. The program can update both 3D field solutions from the calculated beam space-charge and current-density. We shall describe numerical methods for orbit tracking on a hexahedron mesh. Topics include: 1) identification of elements along the particle trajectory, 2) fast searches and adaptive field calculations, 3) interpolation methods to terminate orbits on material surfaces, 4) automatic particle generation on multiple emission surfaces to model space-charge-limited emission and field emission, 5) flexible Child law algorithms, 6) implementation of the dual potential model for 3D magnetostatics, and 7) assignment of charge and current from model particle orbits for self-consistent fields.

Introducing CoDa (Cosmic Dawn): Radiation-Hydrodynamics of Galaxy Formation in the Early Universe

NASA Astrophysics Data System (ADS)

Ocvirk, Pierre; Gillet, Nicolas; Shapiro, Paul; Aubert, Dominique; Iliev, Ilian; Romain, Teyssier; Yepes, Gustavo; Choi, Jun-hwan; Sullivan, David; Knebe, Alexander; Gottloeber, Stefan; D'Aloisio, Anson; Park, Hyunbae; Hoffman, Yehuda

2015-08-01

CoDa (Cosmic Dawn) is the largest fully coupled radiation hydrodynamics simulation of the reionization of the local Universe to date. It was performed using RAMSES-CUDATON running on 8192 nodes (i.e. 8192 GPUs) on the titan supercomputer at Oak Ridge National Laboratory to simulate a 64 h-1Mpc side box down to z=4.23. In this simulation, reionization proceeds self-consistently, driven by stellar radiation. We compare the simulation's reionization history, ionizing flux density, the cosmic star formation history and the CMB Thompson scattering optical depth with their observational values. Luminosity functions are also in rather good agreement with high redshift observations, although very bright objects (MAB1600 < -21) are overabundant in CoDa. We investigate the evolution of the intergalactic medium, and find that gas filaments present a sheathed structure, with a hot envelope surrounding a cooler core. They are however not able to self-shield, while regions denser than 10^-4.5 H atoms per comoving h^-3cm^3 are. Haloes below M ˜ 3.10^9 M⊙ are severely affected by the expanding, rising UV background: their ISM is quickly photo-heated to temperatures above our star formation threshold and therefore stop forming stars after local reionization has occured. Overall, the haloes between 10^(10-11) M⊙ dominate the star formation budget of the box for most of the Epoch of Reionization. Several additional studies will follow, looking for instance at environmental effects on galaxy properties, and the regimes of accretion.

Interactions between Nanoparticles and Polymer Brushes: Molecular Dynamics Simulations and Self-consistent Field Theory Calculations

NASA Astrophysics Data System (ADS)

Cheng, Shengfeng; Wen, Chengyuan; Egorov, Sergei

2015-03-01

Molecular dynamics simulations and self-consistent field theory calculations are employed to study the interactions between a nanoparticle and a polymer brush at various densities of chains grafted to a plane. Simulations with both implicit and explicit solvent are performed. In either case the nanoparticle is loaded to the brush at a constant velocity. Then a series of simulations are performed to compute the force exerted on the nanoparticle that is fixed at various distances from the grafting plane. The potential of mean force is calculated and compared to the prediction based on a self-consistent field theory. Our simulations show that the explicit solvent leads to effects that are not captured in simulations with implicit solvent, indicating the importance of including explicit solvent in molecular simulations of such systems. Our results also demonstrate an interesting correlation between the force on the nanoparticle and the density profile of the brush. We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Tesla K40 GPU used for this research.

Comparison of multi-fluid moment models with particle-in-cell simulations of collisionless magnetic reconnection

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

Wang, Liang, E-mail: liang.wang@unh.edu; Germaschewski, K.; Hakim, Ammar H.

2015-01-15

We introduce an extensible multi-fluid moment model in the context of collisionless magnetic reconnection. This model evolves full Maxwell equations and simultaneously moments of the Vlasov-Maxwell equation for each species in the plasma. Effects like electron inertia and pressure gradient are self-consistently embedded in the resulting multi-fluid moment equations, without the need to explicitly solving a generalized Ohm's law. Two limits of the multi-fluid moment model are discussed, namely, the five-moment limit that evolves a scalar pressures for each species and the ten-moment limit that evolves the full anisotropic, non-gyrotropic pressure tensor for each species. We first demonstrate analytically andmore » numerically that the five-moment model reduces to the widely used Hall magnetohydrodynamics (Hall MHD) model under the assumptions of vanishing electron inertia, infinite speed of light, and quasi-neutrality. Then, we compare ten-moment and fully kinetic particle-in-cell (PIC) simulations of a large scale Harris sheet reconnection problem, where the ten-moment equations are closed with a local linear collisionless approximation for the heat flux. The ten-moment simulation gives reasonable agreement with the PIC results regarding the structures and magnitudes of the electron flows, the polarities and magnitudes of elements of the electron pressure tensor, and the decomposition of the generalized Ohm's law. Possible ways to improve the simple local closure towards a nonlocal fully three-dimensional closure are also discussed.« less

Expansion of Non-Quasi-Neutral Limited Plasmas Driven by Two-Temperature Electron Clouds

NASA Astrophysics Data System (ADS)

Murakami, Masakatsu; Honrubia, Javier

2017-10-01

Fast heating of an isolated solid mass, under irradiation of ultra-intense ultra-short laser pulse, to averaged temperatures of order of keV is theoretically studied. Achievable maximum ion temperatures are determined as a consequence of the interplay of the electron-to-ion energy deposition and nonrelativistic plasma expansion, where fast ion emission plays an important role in the energy balance. To describe the plasma expansion, we develop a self-similar solution, in which the plasma is composed of three fluids, i.e., ions and two-temperature electrons. Under the condition of isothermal electron expansion in cylindrical geometry, such a fluid system, self-consistently incorporated with the Poisson equation, is fully solved. The charge separation and resultant accelerated ion population due to the induced electrostatic field are quantitatively presented. The analytical model is compared with two-dimensional hydrodynamic simulations to provide practical working windows for the target and laser parameters for the fast heating.

A Simulation Model for Drift Resistive Ballooning Turbulence Examining the Influence of Self-consistent Zonal Flows

NASA Astrophysics Data System (ADS)

Cohen, Bruce; Umansky, Maxim; Joseph, Ilon

2015-11-01

Progress is reported on including self-consistent zonal flows in simulations of drift-resistive ballooning turbulence using the BOUT + + framework. Previous published work addressed the simulation of L-mode edge turbulence in realistic single-null tokamak geometry using the BOUT three-dimensional fluid code that solves Braginskii-based fluid equations. The effects of imposed sheared ExB poloidal rotation were included, with a static radial electric field fitted to experimental data. In new work our goal is to include the self-consistent effects on the radial electric field driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We describe a model for including self-consistent zonal flows and an algorithm for maintaining underlying plasma profiles to enable the simulation of steady-state turbulence. We examine the role of Braginskii viscous forces in providing necessary dissipation when including axisymmetric perturbations. We also report on some of the numerical difficulties associated with including the axisymmetric component of the fluctuating fields. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory (LLNL-ABS-674950).

Control algorithm implementation for a redundant degree of freedom manipulator

NASA Technical Reports Server (NTRS)

Cohan, Steve

1991-01-01

This project's purpose is to develop and implement control algorithms for a kinematically redundant robotic manipulator. The manipulator is being developed concurrently by Odetics Inc., under internal research and development funding. This SBIR contract supports algorithm conception, development, and simulation, as well as software implementation and integration with the manipulator hardware. The Odetics Dexterous Manipulator is a lightweight, high strength, modular manipulator being developed for space and commercial applications. It has seven fully active degrees of freedom, is electrically powered, and is fully operational in 1 G. The manipulator consists of five self-contained modules. These modules join via simple quick-disconnect couplings and self-mating connectors which allow rapid assembly/disassembly for reconfiguration, transport, or servicing. Each joint incorporates a unique drive train design which provides zero backlash operation, is insensitive to wear, and is single fault tolerant to motor or servo amplifier failure. The sensing system is also designed to be single fault tolerant. Although the initial prototype is not space qualified, the design is well-suited to meeting space qualification requirements. The control algorithm design approach is to develop a hierarchical system with well defined access and interfaces at each level. The high level endpoint/configuration control algorithm transforms manipulator endpoint position/orientation commands to joint angle commands, providing task space motion. At the same time, the kinematic redundancy is resolved by controlling the configuration (pose) of the manipulator, using several different optimizing criteria. The center level of the hierarchy servos the joints to their commanded trajectories using both linear feedback and model-based nonlinear control techniques. The lowest control level uses sensed joint torque to close torque servo loops, with the goal of improving the manipulator dynamic behavior. The control algorithms are subjected to a dynamic simulation before implementation.

Templated bilayer self-assembly of fully conjugated π-expanded macrocyclic oligothiophenes complexed with fullerenes

PubMed Central

Cojal González, José D.; Iyoda, Masahiko; Rabe, Jürgen P.

2017-01-01

Fully conjugated macrocyclic oligothiophenes exhibit a combination of highly attractive structural, optical and electronic properties, and multifunctional molecular thin film architectures thereof are envisioned. However, control over the self-assembly of such systems becomes increasingly challenging, the more complex the target structures are. Here we show a robust self-assembly based on hierarchical non-covalent interactions. A self-assembled monolayer of hydrogen-bonded trimesic acid at the interface between an organic solution and graphite provides host-sites for the epitaxial ordering of Saturn-like complexes of fullerenes with oligothiophene macrocycles in mono- and bilayers. STM tomography verifies the formation of the templated layers. Molecular dynamics simulations corroborate the conformational stability and assign the adsorption sites of the adlayers. Scanning tunnelling spectroscopy determines their rectification characteristics. Current–voltage characteristics reveal the modification of the rectifying properties of the macrocycles by the formation of donor–acceptor complexes in a densely packed all-self-assembled supramolecular nanostructure. PMID:28281557

Templated bilayer self-assembly of fully conjugated π-expanded macrocyclic oligothiophenes complexed with fullerenes

NASA Astrophysics Data System (ADS)

Cojal González, José D.; Iyoda, Masahiko; Rabe, Jürgen P.

2017-03-01

Fully conjugated macrocyclic oligothiophenes exhibit a combination of highly attractive structural, optical and electronic properties, and multifunctional molecular thin film architectures thereof are envisioned. However, control over the self-assembly of such systems becomes increasingly challenging, the more complex the target structures are. Here we show a robust self-assembly based on hierarchical non-covalent interactions. A self-assembled monolayer of hydrogen-bonded trimesic acid at the interface between an organic solution and graphite provides host-sites for the epitaxial ordering of Saturn-like complexes of fullerenes with oligothiophene macrocycles in mono- and bilayers. STM tomography verifies the formation of the templated layers. Molecular dynamics simulations corroborate the conformational stability and assign the adsorption sites of the adlayers. Scanning tunnelling spectroscopy determines their rectification characteristics. Current-voltage characteristics reveal the modification of the rectifying properties of the macrocycles by the formation of donor-acceptor complexes in a densely packed all-self-assembled supramolecular nanostructure.

Transition in Electron Physics of Magnetic Reconnection in Weakly Collisional Plasma

NASA Astrophysics Data System (ADS)

Le, A.; Roytershteyn, V.; Karimabadi, H.; Daughton, W. S.; Egedal, J.; Forest, C.

2013-12-01

Using self-consistent fully kinetic simulations with a Monte-Carlo treatment of the Coulomb collision operator, we explore the transition between collisional and kinetic regimes of magnetic reconnection in high-Lundquist-number current sheets. Recent research in collisionless reconnection has shown that electron kinetic physics plays a key role in the evolution. Large-scale electron current sheets may form, leading to secondary island formation and turbulent flux rope interactions in 3D. The new collisional simulations demonstrate how increasing collisionality modifies or eliminates these electron structures in the kinetic regimes. Additional basic questions that are addressed include how the reconnection rate and the release of magnetic energy into electrons and ions vary with collisionality. The numerical study provides insight into reconnection in dense regions of the solar corona, the solar wind, and upcoming laboratory experiments at MRX (Princeton) and MPDX (UW-Madison). The implications of these results for studies of turbulence dissipation in weakly collisional plasmas are discussed.

On the interplay of gas dynamics and the electromagnetic field in an atmospheric Ar/H2 microwave plasma torch

NASA Astrophysics Data System (ADS)

Synek, Petr; Obrusník, Adam; Hübner, Simon; Nijdam, Sander; Zajíčková, Lenka

2015-04-01

A complementary simulation and experimental study of an atmospheric pressure microwave torch operating in pure argon or argon/hydrogen mixtures is presented. The modelling part describes a numerical model coupling the gas dynamics and mixing to the electromagnetic field simulations. Since the numerical model is not fully self-consistent and requires the electron density as an input, quite extensive spatially resolved Stark broadening measurements were performed for various gas compositions and input powers. In addition, the experimental part includes Rayleigh scattering measurements, which are used for the validation of the model. The paper comments on the changes in the gas temperature and hydrogen dissociation with the gas composition and input power, showing in particular that the dependence on the gas composition is relatively strong and non-monotonic. In addition, the work provides interesting insight into the plasma sustainment mechanism by showing that the power absorption profile in the plasma has two distinct maxima: one at the nozzle tip and one further upstream.

A self-paced motor imagery based brain-computer interface for robotic wheelchair control.

PubMed

Tsui, Chun Sing Louis; Gan, John Q; Hu, Huosheng

2011-10-01

This paper presents a simple self-paced motor imagery based brain-computer interface (BCI) to control a robotic wheelchair. An innovative control protocol is proposed to enable a 2-class self-paced BCI for wheelchair control, in which the user makes path planning and fully controls the wheelchair except for the automatic obstacle avoidance based on a laser range finder when necessary. In order for the users to train their motor imagery control online safely and easily, simulated robot navigation in a specially designed environment was developed. This allowed the users to practice motor imagery control with the core self-paced BCI system in a simulated scenario before controlling the wheelchair. The self-paced BCI can then be applied to control a real robotic wheelchair using a protocol similar to that controlling the simulated robot. Our emphasis is on allowing more potential users to use the BCI controlled wheelchair with minimal training; a simple 2-class self paced system is adequate with the novel control protocol, resulting in a better transition from offline training to online control. Experimental results have demonstrated the usefulness of the online practice under the simulated scenario, and the effectiveness of the proposed self-paced BCI for robotic wheelchair control.

Multi-Dimensional Quantum Effect Simulation Using a Density-Gradient Model and Script-Level Programming Techniques

NASA Technical Reports Server (NTRS)

Rafferty, Connor S.; Biegel, Bryan A.; Yu, Zhi-Ping; Ancona, Mario G.; Bude, J.; Dutton, Robert W.; Saini, Subhash (Technical Monitor)

1998-01-01

A density-gradient (DG) model is used to calculate quantum-mechanical corrections to classical carrier transport in MOS (Metal Oxide Semiconductor) inversion/accumulation layers. The model is compared to measured data and to a fully self-consistent coupled Schrodinger and Poisson equation (SCSP) solver. Good agreement is demonstrated for MOS capacitors with gate oxide as thin as 21 A. It is then applied to study carrier distribution in ultra short MOSFETs (Metal Oxide Semiconductor Field Effect Transistor) with surface roughness. This work represents the first implementation of the DG formulation on multidimensional unstructured meshes. It was enabled by a powerful scripting approach which provides an easy-to-use and flexible framework for solving the fourth-order PDEs (Partial Differential Equation) of the DG model.

Quantifying Fusion Born Ion Populations in Magnetically Confined Plasmas using Ion Cyclotron Emission

DOE PAGES

Carbajal, L.; Warwick Univ., Coventry; Dendy, R. O.; ...

2017-03-07

Ion cyclotron emission (ICE) offers unique promise as a diagnostic of the fusion born alpha-particle population in magnetically confined plasmas. Pioneering observations from JET and TFTR found that ICE intensity P ICE scales approximately linearly with the measured neutron flux from fusion reactions, and with the inferred concentration, n /n i , of fusion-born alpha-particles confined within the plasma. We present fully nonlinear self-consistent kinetic simulations that reproduce this scaling for the first time. This resolves a longstanding question in the physics of fusion alpha particle confinement and stability in MCF plasmas. It confirms the MCI as the likely emissionmore » mechanism and greatly strengthens the basis for diagnostic exploitation of ICE in future burning plasmas.« less

Quantifying Fusion Born Ion Populations in Magnetically Confined Plasmas using Ion Cyclotron Emission

NASA Astrophysics Data System (ADS)

Carbajal, L.; Dendy, R. O.; Chapman, S. C.; Cook, J. W. S.

2017-03-01

Ion cyclotron emission (ICE) offers a unique promise as a diagnostic of the fusion born alpha-particle population in magnetically confined plasmas. Pioneering observations from JET and TFTR found that ICE intensity PICE scales approximately linearly with the measured neutron flux from fusion reactions, and with the inferred concentration, nα/ni, of fusion born alpha particles confined within the plasma. We present fully nonlinear self-consistent kinetic simulations that reproduce this scaling for the first time. This resolves a long-standing question in the physics of fusion alpha-particle confinement and stability in magnetic confinement fusion plasmas. It confirms the magnetoacoustic cyclotron instability as the likely emission mechanism and greatly strengthens the basis for diagnostic exploitation of ICE in future burning plasmas.

Formation and Coalescence of Cosmological Supermassive-Black-Hole Binaries in Supermassive-Star Collapse

NASA Astrophysics Data System (ADS)

Reisswig, C.; Ott, C. D.; Abdikamalov, E.; Haas, R.; Mösta, P.; Schnetter, E.

2013-10-01

We study the collapse of rapidly rotating supermassive stars that may have formed in the early Universe. By self-consistently simulating the dynamics from the onset of collapse using three-dimensional general-relativistic hydrodynamics with fully dynamical spacetime evolution, we show that seed perturbations in the progenitor can lead to the formation of a system of two high-spin supermassive black holes, which inspiral and merge under the emission of powerful gravitational radiation that could be observed at redshifts z≳10 with the DECIGO or Big Bang Observer gravitational-wave observatories, assuming supermassive stars in the mass range 104-106M⊙. The remnant is rapidly spinning with dimensionless spin a*=0.9. The surrounding accretion disk contains ˜10% of the initial mass.

Quantifying Fusion Born Ion Populations in Magnetically Confined Plasmas using Ion Cyclotron Emission.

PubMed

Carbajal, L; Dendy, R O; Chapman, S C; Cook, J W S

2017-03-10

Ion cyclotron emission (ICE) offers a unique promise as a diagnostic of the fusion born alpha-particle population in magnetically confined plasmas. Pioneering observations from JET and TFTR found that ICE intensity P_{ICE} scales approximately linearly with the measured neutron flux from fusion reactions, and with the inferred concentration, n_{α}/n_{i}, of fusion born alpha particles confined within the plasma. We present fully nonlinear self-consistent kinetic simulations that reproduce this scaling for the first time. This resolves a long-standing question in the physics of fusion alpha-particle confinement and stability in magnetic confinement fusion plasmas. It confirms the magnetoacoustic cyclotron instability as the likely emission mechanism and greatly strengthens the basis for diagnostic exploitation of ICE in future burning plasmas.

Modeling and simulation of RF photoinjectors for coherent light sources

NASA Astrophysics Data System (ADS)

Chen, Y.; Krasilnikov, M.; Stephan, F.; Gjonaj, E.; Weiland, T.; Dohlus, M.

2018-05-01

We propose a three-dimensional fully electromagnetic numerical approach for the simulation of RF photoinjectors for coherent light sources. The basic idea consists in incorporating a self-consistent photoemission model within a particle tracking code. The generation of electron beams in the injector is determined by the quantum efficiency (QE) of the cathode, the intensity profile of the driving laser as well as by the accelerating field and magnetic focusing conditions in the gun. The total charge emitted during an emission cycle can be limited by the space charge field at the cathode. Furthermore, the time and space dependent electromagnetic field at the cathode may induce a transient modulation of the QE due to surface barrier reduction of the emitting layer. In our modeling approach, all these effects are taken into account. The beam particles are generated dynamically according to the local QE of the cathode and the time dependent laser intensity profile. For the beam dynamics, a tracking code based on the Lienard-Wiechert retarded field formalism is employed. This code provides the single particle trajectories as well as the transient space charge field distribution at the cathode. As an application, the PITZ injector is considered. Extensive electron bunch emission simulations are carried out for different operation conditions of the injector, in the source limited as well as in the space charge limited emission regime. In both cases, fairly good agreement between measurements and simulations is obtained.

Effectiveness of simulation for improvement in self-efficacy among novice nurses: a meta-analysis.

PubMed

Franklin, Ashley E; Lee, Christopher S

2014-11-01

The influence of simulation on self-efficacy for novice nurses has been reported inconsistently in the literature. Effect sizes across studies were synthesized using random-effects meta-analyses. Simulation improved self-efficacy in one-group, pretest-posttest studies (Hedge's g=1.21, 95% CI [0.63, 1.78]; p<0.001). Simulation also was favored over control teaching interventions in improving self-efficacy in studies with experimental designs (Hedge's g=0.27, 95% CI [0.1, 0.44]; p=0.002). In nonexperimental designs, consistent conclusions about the influence of simulation were tempered by significant between-study differences in effects. Simulation is effective at increasing self-efficacy among novice nurses, compared with traditional control groups. Copyright 2014, SLACK Incorporated.

A multi-species exchange model for fully fluctuating polymer field theory simulations.

PubMed

Düchs, Dominik; Delaney, Kris T; Fredrickson, Glenn H

2014-11-07

Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complex Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.

Kinetic modeling of x-ray laser-driven solid Al plasmas via particle-in-cell simulation

NASA Astrophysics Data System (ADS)

Royle, R.; Sentoku, Y.; Mancini, R. C.; Paraschiv, I.; Johzaki, T.

2017-06-01

Solid-density plasmas driven by intense x-ray free-electron laser (XFEL) radiation are seeded by sources of nonthermal photoelectrons and Auger electrons that ionize and heat the target via collisions. Simulation codes that are commonly used to model such plasmas, such as collisional-radiative (CR) codes, typically assume a Maxwellian distribution and thus instantaneous thermalization of the source electrons. In this study, we present a detailed description and initial applications of a collisional particle-in-cell code, picls, that has been extended with a self-consistent radiation transport model and Monte Carlo models for photoionization and K L L Auger ionization, enabling the fully kinetic simulation of XFEL-driven plasmas. The code is used to simulate two experiments previously performed at the Linac Coherent Light Source investigating XFEL-driven solid-density Al plasmas. It is shown that picls-simulated pulse transmissions using the Ecker-Kröll continuum-lowering model agree much better with measurements than do simulations using the Stewart-Pyatt model. Good quantitative agreement is also found between the time-dependent picls results and those of analogous simulations by the CR code scfly, which was used in the analysis of the experiments to accurately reproduce the observed K α emissions and pulse transmissions. Finally, it is shown that the effects of the nonthermal electrons are negligible for the conditions of the particular experiments under investigation.

Simulations of Turbulence in Tokamak Edge and Effects of Self-Consistent Zonal Flows

NASA Astrophysics Data System (ADS)

Cohen, Bruce; Umansky, Maxim

2013-10-01

Progress is reported on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge. This extends previous work to include self-consistent zonal flows and their effects. The previous work addressed simulation of L-mode tokamak edge turbulence using the turbulence code BOUT that solves Braginskii-based plasma fluid equations in tokamak edge domain. The calculations use realistic single-null geometry and plasma parameters of the DIII-D tokamak and produce fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.

Simulations of Tokamak Edge Turbulence Including Self-Consistent Zonal Flows

NASA Astrophysics Data System (ADS)

Cohen, Bruce; Umansky, Maxim

2013-10-01

Progress on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge is summarized in this mini-conference talk. A more detailed report on this work is presented in a poster at this conference. This work extends our previous work to include self-consistent zonal flows and their effects. The previous work addressed the simulation of L-mode tokamak edge turbulence using the turbulence code BOUT. The calculations used realistic single-null geometry and plasma parameters of the DIII-D tokamak and produced fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.

Convergence of Molecular Dynamics Simulation of Protein Native States: Feasibility vs Self-Consistency Dilemma.

PubMed

Sawle, Lucas; Ghosh, Kingshuk

2016-02-09

All-atom molecular dynamics simulations need convergence tests to evaluate the quality of data. The notion of "true" convergence is elusive, and one can only hope to satisfy self-consistency checks (SCC). There are multiple SCC criteria, and their assessment of all-atom simulations of the native state for real globular proteins is sparse. Here, we present a systematic study of different SCC algorithms, both in terms of their ability to detect the lack of self-consistency and their computational demand, for the all-atom native state simulations of four globular proteins (CSP, CheA, CheW, and BPTI). Somewhat surprisingly, we notice some of the most stringent SCC criteria, e.g., the criteria demanding similarity of the cluster probability distribution between the first and the second halves of the trajectory or the comparison of fluctuations between different blocks using covariance overlap measure, can require tens of microseconds of simulation even for proteins with less than 100 amino acids. We notice such long simulation times can sometimes be associated with traps, but these traps cannot be detected by some of the common SCC methods. We suggest an additional, and simple, SCC algorithm to quickly detect such traps by monitoring the constancy of the cluster entropy (CCE). CCE is a necessary but not sufficient criteria, and additional SCC algorithms must be combined with it. Furthermore, as seen in the explicit solvent simulation of 1 ms long trajectory of BPTI,1 passing self-consistency checks at an earlier stage may be misleading due to conformational changes taking place later in the simulation, resulting in different, but segregated regions of SCC. Although there is a hierarchy of complex SCC algorithms, caution must be exercised in their application with the knowledge of their limitations and computational expense.

Three-dimensional particle-in-cell simulation on gain saturation effect of microchannel plate

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

Wang, Qiangqiang; Yuan, Zheng; Cao, Zhurong, E-mail: cao33jin@aliyun.com

We present here the results of the simulation work, using the three-dimensional particle-in-cell method, on the performance of the lead glass microchannel plate under saturated state. We calculated the electron cascade process with different DC bias voltages under both self-consistent condition and non-self-consistent condition. The comparative results have demonstrated that the strong self-consistent field can suppress the cascade process and make the microchannel plate saturated. The simulation results were also compared to the experimental data and good agreement was obtained. The simulation results also show that the electron multiplication process in the channel is accompanied by the buildup process ofmore » positive charges in the channel wall. Though the interactions among the secondary electron cloud in the channel, the positive charges in the channel wall, and the external acceleration field can make the electron-surface collision more frequent, the collision energy will be inevitably reduced, thus the electron gain will also be reduced.« less

Self-consistent Simulations and Analysis of the Coupled-Bunch Instability for Arbitrary Multi-Bunch Configurations

DOE PAGES

Bassi, Gabriele; Blednykh, Alexei; Smalyuk, Victor

2016-02-24

A novel algorithm for self-consistent simulations of long-range wakefield effects has been developed and applied to the study of both longitudinal and transverse coupled-bunch instabilities at NSLS-II. The algorithm is implemented in the new parallel tracking code space (self-consistent parallel algorithm for collective effects) discussed in the paper. The code is applicable for accurate beam dynamics simulations in cases where both bunch-to-bunch and intrabunch motions need to be taken into account, such as chromatic head-tail effects on the coupled-bunch instability of a beam with a nonuniform filling pattern, or multibunch and single-bunch effects of a passive higher-harmonic cavity. The numericalmore » simulations have been compared with analytical studies. For a beam with an arbitrary filling pattern, intensity-dependent complex frequency shifts have been derived starting from a system of coupled Vlasov equations. The analytical formulas and numerical simulations confirm that the analysis is reduced to the formulation of an eigenvalue problem based on the known formulas of the complex frequency shifts for the uniform filling pattern case.« less

Pressure calculation in hybrid particle-field simulations

NASA Astrophysics Data System (ADS)

Milano, Giuseppe; Kawakatsu, Toshihiro

2010-12-01

In the framework of a recently developed scheme for a hybrid particle-field simulation techniques where self-consistent field (SCF) theory and particle models (molecular dynamics) are combined [J. Chem. Phys. 130, 214106 (2009)], we developed a general formulation for the calculation of instantaneous pressure and stress tensor. The expressions have been derived from statistical mechanical definition of the pressure starting from the expression for the free energy functional in the SCF theory. An implementation of the derived formulation suitable for hybrid particle-field molecular dynamics-self-consistent field simulations is described. A series of test simulations on model systems are reported comparing the calculated pressure with those obtained from standard molecular dynamics simulations based on pair potentials.

Spectral-element simulation of two-dimensional elastic wave propagation in fully heterogeneous media on a GPU cluster

NASA Astrophysics Data System (ADS)

Rudianto, Indra; Sudarmaji

2018-04-01

We present an implementation of the spectral-element method for simulation of two-dimensional elastic wave propagation in fully heterogeneous media. We have incorporated most of realistic geological features in the model, including surface topography, curved layer interfaces, and 2-D wave-speed heterogeneity. To accommodate such complexity, we use an unstructured quadrilateral meshing technique. Simulation was performed on a GPU cluster, which consists of 24 core processors Intel Xeon CPU and 4 NVIDIA Quadro graphics cards using CUDA and MPI implementation. We speed up the computation by a factor of about 5 compared to MPI only, and by a factor of about 40 compared to Serial implementation.

Two-Dimensional Self-Consistent Radio Frequency Plasma Simulations Relevant to the Gaseous Electronics Conference RF Reference Cell

PubMed Central

Lymberopoulos, Dimitris P.; Economou, Demetre J.

1995-01-01

Over the past few years multidimensional self-consistent plasma simulations including complex chemistry have been developed which are promising tools for furthering our understanding of reactive gas plasmas and for reactor design and optimization. These simulations must be benchmarked against experimental data obtained in well-characterized systems such as the Gaseous Electronics Conference (GEC) reference cell. Two-dimensional simulations relevant to the GEC Cell are reviewed in this paper with emphasis on fluid simulations. Important features observed experimentally, such as off-axis maxima in the charge density and hot spots of metastable species density near the electrode edges in capacitively-coupled GEC cells, have been captured by these simulations. PMID:29151756

Simultaneous diagnosis of radial profiles and mix in NIF ignition-scale implosions via X-ray spectroscopy

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

Ciricosta, O.; Scott, H.; Durey, P.

In a National Ignition Facility implosion, hydrodynamic instabilities may cause the cold material from the imploding shell to be injected into the hot-spot (hot-spot mix), enhancing the radiative and conductive losses, which in turn may lead to a quenching of the ignition process. The bound-bound features of the spectrum emitted by high-Z ablator dopants that get mixed into the hot-spot have been previously used to infer the total amount of mixed mass; however, the typical errorbars are larger than the maximum tolerable mix. We present in this paper an improved 2D model for mix spectroscopy which can be used tomore » retrieve information on both the amount of mixed mass and the full imploded plasma profile. By performing radiation transfer and simultaneously fitting all of the features exhibited by the spectra, we are able to constrain self-consistently the effect of the opacity of the external layers of the target on the emission, thus improving the accuracy of the inferred mixed mass. The model's predictive capabilities are first validated by fitting simulated spectra arising from fully characterized hydrodynamic simulations, and then, the model is applied to previously published experimental results, providing values of mix mass in agreement with previous estimates. Finally, we show that the new self consistent procedure leads to better constrained estimates of mix and also provides insight into the sensitivity of the hot-spot spectroscopy to the spatial properties of the imploded capsule, such as the in-flight aspect ratio of the cold fuel surrounding the hotspot.« less

Simultaneous diagnosis of radial profiles and mix in NIF ignition-scale implosions via X-ray spectroscopy

DOE PAGES

Ciricosta, O.; Scott, H.; Durey, P.; ...

2017-11-06

In a National Ignition Facility implosion, hydrodynamic instabilities may cause the cold material from the imploding shell to be injected into the hot-spot (hot-spot mix), enhancing the radiative and conductive losses, which in turn may lead to a quenching of the ignition process. The bound-bound features of the spectrum emitted by high-Z ablator dopants that get mixed into the hot-spot have been previously used to infer the total amount of mixed mass; however, the typical errorbars are larger than the maximum tolerable mix. We present in this paper an improved 2D model for mix spectroscopy which can be used tomore » retrieve information on both the amount of mixed mass and the full imploded plasma profile. By performing radiation transfer and simultaneously fitting all of the features exhibited by the spectra, we are able to constrain self-consistently the effect of the opacity of the external layers of the target on the emission, thus improving the accuracy of the inferred mixed mass. The model's predictive capabilities are first validated by fitting simulated spectra arising from fully characterized hydrodynamic simulations, and then, the model is applied to previously published experimental results, providing values of mix mass in agreement with previous estimates. Finally, we show that the new self consistent procedure leads to better constrained estimates of mix and also provides insight into the sensitivity of the hot-spot spectroscopy to the spatial properties of the imploded capsule, such as the in-flight aspect ratio of the cold fuel surrounding the hotspot.« less

Simultaneous diagnosis of radial profiles and mix in NIF ignition-scale implosions via X-ray spectroscopy

NASA Astrophysics Data System (ADS)

Ciricosta, O.; Scott, H.; Durey, P.; Hammel, B. A.; Epstein, R.; Preston, T. R.; Regan, S. P.; Vinko, S. M.; Woolsey, N. C.; Wark, J. S.

2017-11-01

In a National Ignition Facility implosion, hydrodynamic instabilities may cause the cold material from the imploding shell to be injected into the hot-spot (hot-spot mix), enhancing the radiative and conductive losses, which in turn may lead to a quenching of the ignition process. The bound-bound features of the spectrum emitted by high-Z ablator dopants that get mixed into the hot-spot have been previously used to infer the total amount of mixed mass; however, the typical errorbars are larger than the maximum tolerable mix. We present here an improved 2D model for mix spectroscopy which can be used to retrieve information on both the amount of mixed mass and the full imploded plasma profile. By performing radiation transfer and simultaneously fitting all of the features exhibited by the spectra, we are able to constrain self-consistently the effect of the opacity of the external layers of the target on the emission, thus improving the accuracy of the inferred mixed mass. The model's predictive capabilities are first validated by fitting simulated spectra arising from fully characterized hydrodynamic simulations, and then, the model is applied to previously published experimental results, providing values of mix mass in agreement with previous estimates. We show that the new self consistent procedure leads to better constrained estimates of mix and also provides insight into the sensitivity of the hot-spot spectroscopy to the spatial properties of the imploded capsule, such as the in-flight aspect ratio of the cold fuel surrounding the hotspot.

3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

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

Wang, Zhenyu; Lin, Yu; Wang, Xueyi

The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio m i/m e. In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic m i/m e. The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location wheremore » $$\\vec{k}$$• $$\\vec{B}$$ =0, consistent with previous analytical and simulation studies. Here, $$\\vec{B}$$ is the equilibrium magnetic field and $$\\vec{k}$$ is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at $$\\vec{k}$$ •$$\\vec{B}$$ ≠0. Additionally, the simulation results indicate that varying m i/m e, the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.« less

3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

DOE PAGES

Wang, Zhenyu; Lin, Yu; Wang, Xueyi; ...

2016-07-07

The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio m i/m e. In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic m i/m e. The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location wheremore » $$\\vec{k}$$• $$\\vec{B}$$ =0, consistent with previous analytical and simulation studies. Here, $$\\vec{B}$$ is the equilibrium magnetic field and $$\\vec{k}$$ is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at $$\\vec{k}$$ •$$\\vec{B}$$ ≠0. Additionally, the simulation results indicate that varying m i/m e, the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.« less

The M31 Pixel Lensing PLAN Campaign: MACHO Lensing and Self-lensing Signals

NASA Astrophysics Data System (ADS)

Calchi Novati, S.; Bozza, V.; Bruni, I.; Dall'Ora, M.; De Paolis, F.; Dominik, M.; Gualandi, R.; Ingrosso, G.; Jetzer, Ph.; Mancini, L.; Nucita, A.; Safonova, M.; Scarpetta, G.; Sereno, M.; Strafella, F.; Subramaniam, A.; Gould, A.; PLAN Collaboration

2014-03-01

We present the final analysis of the observational campaign carried out by the PLAN (Pixel Lensing Andromeda) collaboration to detect a dark matter signal in form of MACHOs through the microlensing effect. The campaign consists of about 1 month/year observations carried out over 4 years (2007-2010) at the 1.5 m Cassini telescope in Loiano (Astronomical Observatory of BOLOGNA, OAB) plus 10 days of data taken in 2010 at the 2 m Himalayan Chandra Telescope monitoring the central part of M31 (two fields of about 13' × 12.'6). We establish a fully automated pipeline for the search and the characterization of microlensing flux variations. As a result, we detect three microlensing candidates. We evaluate the expected signal through a full Monte Carlo simulation of the experiment completed by an analysis of the detection efficiency of our pipeline. We consider both "self lensing" and "MACHO lensing" lens populations, given by M31 stars and dark matter halo MACHOs, in M31 and the Milky Way, respectively. The total number of events is consistent with the expected self-lensing rate. Specifically, we evaluate an expected signal of about two self-lensing events. As for MACHO lensing, for full 0.5(10-2) M ⊙ MACHO halos, our prediction is for about four (seven) events. The comparatively small number of expected MACHO versus self-lensing events, together with the small number statistics at our disposal, do not enable us to put strong constraints on that population. Rather, the hypothesis, suggested by a previous analysis, on the MACHO nature of OAB-07-N2, one of the microlensing candidates, translates into a sizeable lower limit for the halo mass fraction in form of the would-be MACHO population, f, of about 15% for 0.5 M ⊙ MACHOs.

Self-consistent generalized Langevin-equation theory for liquids of nonspherically interacting particles.

PubMed

Elizondo-Aguilera, L F; Zubieta Rico, P F; Ruiz-Estrada, H; Alarcón-Waess, O

2014-11-01

A self-consistent generalized Langevin-equation theory is proposed to describe the self- and collective dynamics of a liquid of linear Brownian particles. The equations of motion for the spherical harmonics projections of the collective and self-intermediate-scattering functions, F_{lm,lm}(k,t) and F_{lm,lm}^{S}(k,t), are derived as a contraction of the description involving the stochastic equations of the corresponding tensorial one-particle density n_{lm}(k,t) and the translational (α=T) and rotational (α=R) current densities j_{lm}^{α}(k,t). Similar to the spherical case, these dynamic equations require as an external input the equilibrium structural properties of the system contained in the projections of the static structure factor, denoted by S_{lm,lm}(k). Complementing these exact equations with simple (Vineyard-like) approximate relations for the collective and the self-memory functions we propose a closed self-consistent set of equations for the dynamic properties involved. In the long-time asymptotic limit, these equations become the so-called bifurcation equations, whose solutions (the nonergodicity parameters) can be written, extending the spherical case, in terms of one translational and one orientational scalar dynamic order parameter, γ_{T} and γ_{R}, which characterize the possible dynamical arrest transitions of the system. As a concrete illustrative application of this theory we determine the dynamic arrest diagram of the dipolar hard-sphere fluid. In qualitative agreement with mode coupling theory, the present self-consistent equations also predict three different regions in the state space spanned by the macroscopic control parameters η (volume fraction) and T* (scaled temperature): a region of fully ergodic states, a region of mixed states, in which the translational degrees of freedom become arrested while the orientational degrees of freedom remain ergodic, and a region of fully nonergodic states.

Evaluating best educational practices, student satisfaction, and self-confidence in simulation: A descriptive study.

PubMed

Zapko, Karen A; Ferranto, Mary Lou Gemma; Blasiman, Rachael; Shelestak, Debra

2018-01-01

The National League for Nursing (NLN) has endorsed simulation as a necessary teaching approach to prepare students for the demanding role of professional nursing. Questions arise about the suitability of simulation experiences to educate students. Empirical support for the effect of simulation on patient outcomes is sparse. Most studies on simulation report only anecdotal results rather than data obtained using evaluative tools. The aim of this study was to examine student perception of best educational practices in simulation and to evaluate their satisfaction and self-confidence in simulation. This study was a descriptive study designed to explore students' perceptions of the simulation experience over a two-year period. Using the Jeffries framework, a Simulation Day was designed consisting of serial patient simulations using high and medium fidelity simulators and live patient actors. The setting for the study was a regional campus of a large Midwestern Research 2 university. The convenience sample consisted of 199 participants and included sophomore, junior, and senior nursing students enrolled in the baccalaureate nursing program. The Simulation Days consisted of serial patient simulations using high and medium fidelity simulators and live patient actors. Participants rotated through four scenarios that corresponded to their level in the nursing program. Data was collected in two consecutive years. Participants completed both the Educational Practices Questionnaire (Student Version) and the Student Satisfaction and Self-Confidence in Learning Scale. Results provide strong support for using serial simulation as a learning tool. Students were satisfied with the experience, felt confident in their performance, and felt the simulations were based on sound educational practices and were important for learning. Serial simulations and having students experience simulations more than once in consecutive years is a valuable method of clinical instruction. When conducted well, simulations can lead to increased student satisfaction and self-confidence. Copyright © 2017 Elsevier Ltd. All rights reserved.

Comparison of frictional resistance of esthetic and semi-esthetic self-ligating brackets

PubMed Central

Kannan, M. S.; Murali, R. V.; Kishorekumar, S.; Gnanashanmugam, K.; Jayanth, V.

2015-01-01

Aim: The frictional resistance encountered during sliding mechanics has been well established in the orthodontic literature, and it consists of complex interactions between the bracket, archwire, and method of ligation the claim of reduced friction with self-ligating brackets is often cited as a primary advantage over conventional brackets. This study was done to compare and evaluate the frictional forces generated between fully esthetic brackets and semi-aesthetic self-ligating brackets, which are of passive form and SEM (scanning electron microscope) study of the Brackets after Frictional evaluation. Materials and Methods: Two types of self-ligating esthetic brackets, Damon clear (Ormco) made of fully ceramic and Opal (Ultradent Products, USA) and, Two types of self-ligating semi-esthetic brackets, Clarity SL (3M Unitek) and Damon 3 (Ormco) both of which are made of ceramic with metal slot. Arch wires with different dimensions and quality 17 × 25, 19 × 25 Titanium Molybdenum Alloy (TMA) and 17 × 25, 19 × 25 stainless steel that came from plain strands of wire were used for frictional comparison test. The brackets used in this study had 0.022 × 0.028 inch slot. Results: The statistical tests showed significantly smaller amount of kinetic frictional forces is generated by Damon 3 (semi-esthetic self-ligating brackets). For each wire used, Damon 3 displayed significantly lower frictional forces (P ≤ 0.05) than any of the self-ligating system, followed by Opal (fully esthetic self-ligating brackets) which generated smaller amount of frictional forces but relatively on the higher side when compared with Damon 3. Damon clear (fully esthetic self-ligating brackets) generated the maximum amount of kinetic forces with all types of wire dimensions and properties when compared to the other three types of self-ligating system. Clarity SL (semi-esthetic self-ligating brackets) generated smaller amount of frictional forces when compared with Damon clear and relatively higher amount of frictional forces when compared to Opal and Damon 3 PMID:26015687

Comparison of frictional resistance of esthetic and semi-esthetic self-ligating brackets.

PubMed

Kannan, M S; Murali, R V; Kishorekumar, S; Gnanashanmugam, K; Jayanth, V

2015-04-01

The frictional resistance encountered during sliding mechanics has been well established in the orthodontic literature, and it consists of complex interactions between the bracket, archwire, and method of ligation the claim of reduced friction with self-ligating brackets is often cited as a primary advantage over conventional brackets. This study was done to compare and evaluate the frictional forces generated between fully esthetic brackets and semi-aesthetic self-ligating brackets, which are of passive form and SEM (scanning electron microscope) study of the Brackets after Frictional evaluation. Two types of self-ligating esthetic brackets, Damon clear (Ormco) made of fully ceramic and Opal (Ultradent Products, USA) and, Two types of self-ligating semi-esthetic brackets, Clarity SL (3M Unitek) and Damon 3 (Ormco) both of which are made of ceramic with metal slot. Arch wires with different dimensions and quality 17 × 25, 19 × 25 Titanium Molybdenum Alloy (TMA) and 17 × 25, 19 × 25 stainless steel that came from plain strands of wire were used for frictional comparison test. The brackets used in this study had 0.022 × 0.028 inch slot. The statistical tests showed significantly smaller amount of kinetic frictional forces is generated by Damon 3 (semi-esthetic self-ligating brackets). For each wire used, Damon 3 displayed significantly lower frictional forces (P ≤ 0.05) than any of the self-ligating system, followed by Opal (fully esthetic self-ligating brackets) which generated smaller amount of frictional forces but relatively on the higher side when compared with Damon 3. Damon clear (fully esthetic self-ligating brackets) generated the maximum amount of kinetic forces with all types of wire dimensions and properties when compared to the other three types of self-ligating system. Clarity SL (semi-esthetic self-ligating brackets) generated smaller amount of frictional forces when compared with Damon clear and relatively higher amount of frictional forces when compared to Opal and Damon 3.

A Multi-Dimensional Instrument for Evaluating Taiwanese High School Students' Science Learning Self-Efficacy in Relation to Their Approaches to Learning Science

ERIC Educational Resources Information Center

Lin, Tzung-Jin; Tsai, Chin-Chung

2013-01-01

In the past, students' science learning self-efficacy (SLSE) was usually measured by questionnaires that consisted of only a single scale, which might be insufficient to fully understand their SLSE. In this study, a multi-dimensional instrument, the SLSE instrument, was developed and validated to assess students' SLSE based on the previous…

Fully implicit Particle-in-cell algorithms for multiscale plasma simulation

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

Chacon, Luis

The outline of the paper is as follows: Particle-in-cell (PIC) methods for fully ionized collisionless plasmas, explicit vs. implicit PIC, 1D ES implicit PIC (charge and energy conservation, moment-based acceleration), and generalization to Multi-D EM PIC: Vlasov-Darwin model (review and motivation for Darwin model, conservation properties (energy, charge, and canonical momenta), and numerical benchmarks). The author demonstrates a fully implicit, fully nonlinear, multidimensional PIC formulation that features exact local charge conservation (via a novel particle mover strategy), exact global energy conservation (no particle self-heating or self-cooling), adaptive particle orbit integrator to control errors in momentum conservation, and canonical momenta (EM-PICmore » only, reduced dimensionality). The approach is free of numerical instabilities: ω peΔt >> 1, and Δx >> λ D. It requires many fewer dofs (vs. explicit PIC) for comparable accuracy in challenging problems. Significant CPU gains (vs explicit PIC) have been demonstrated. The method has much potential for efficiency gains vs. explicit in long-time-scale applications. Moment-based acceleration is effective in minimizing N FE, leading to an optimal algorithm.« less

First Demonstration of a Coronal Mass Ejection Driven by Helicity Condensation

NASA Astrophysics Data System (ADS)

Dahlin, J. T.; Antiochos, S. K.; DeVore, C. R.

2017-12-01

Understanding the mechanism for CMEs/eruptive flares is one of the most important problems in all space science. Two classes of theories have been proposed: ideal processes such as the torus instability, or magnetic reconnection as in the breakout model. Previous simulations of eruptions have used special assumptions, such as a particular initial condition ripe for instability and/or particular boundary conditions designed to induce eruption. We report on a simulation in which the initial state is the minimum-energy potential field, and the system is driven solely by the small-scale random motions observed for photospheric convection. The only requirement on the system is that the flows are sufficiently complex to induce pervasive and random reconnection throughout the volume, as expected for coronal heating, and a net helicity is injected into the corona, in agreement with the observed hemispheric helicity preference. We find that as a result of a turbulent-like cascade, the helicity "condenses" onto a polarity inversion line forming a filament channel, which eventually erupts explosively. We discuss the implications of this fully self-consistent eruption simulation for understanding CMEs/flares and for interpreting coronal observations. This work was supported by the NASA LWS and SR Programs.

Simulating the Dynamics of Earth's Core: Using NCCS Supercomputers Speeds Calculations

NASA Technical Reports Server (NTRS)

2002-01-01

If one wanted to study Earth's core directly, one would have to drill through about 1,800 miles of solid rock to reach liquid core-keeping the tunnel from collapsing under pressures that are more than 1 million atmospheres and then sink an instrument package to the bottom that could operate at 8,000 F with 10,000 tons of force crushing every square inch of its surface. Even then, several of these tunnels would probably be needed to obtain enough data. Faced with difficult or impossible tasks such as these, scientists use other available sources of information - such as seismology, mineralogy, geomagnetism, geodesy, and, above all, physical principles - to derive a model of the core and, study it by running computer simulations. One NASA researcher is doing just that on NCCS computers. Physicist and applied mathematician Weijia Kuang, of the Space Geodesy Branch, and his collaborators at Goddard have what he calls the,"second - ever" working, usable, self-consistent, fully dynamic, three-dimensional geodynamic model (see "The Geodynamic Theory"). Kuang runs his model simulations on the supercomputers at the NCCS. He and Jeremy Bloxham, of Harvard University, developed the original version, written in Fortran 77, in 1996.

Perturbation theory for water with an associating reference fluid

NASA Astrophysics Data System (ADS)

Marshall, Bennett D.

2017-11-01

The theoretical description of the thermodynamics of water is challenged by the structural transition towards tetrahedral symmetry at ambient conditions. As perturbation theories typically assume a spherically symmetric reference fluid, they are incapable of accurately describing the liquid properties of water at ambient conditions. In this paper we address this problem by introducing the concept of an associated reference perturbation theory (APT). In APT we treat the reference fluid as an associating hard sphere fluid which transitions to tetrahedral symmetry in the fully hydrogen bonded limit. We calculate this transition in a theoretically self-consistent manner without appealing to molecular simulations. This associated reference provides the reference fluid for a second order Barker-Henderson perturbative treatment of the long-range attractions. We demonstrate that this approach gives a significantly improved description of water as compared to standard perturbation theories.

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

Waltmann, Curt; Horst, Nathan; Travesset, Alex

In this work, we present a detailed analysis of the interaction between two nanocrystals capped with ligands consisting of hydrocarbon chains by united atom molecular dynamics simulations. We show that the bonding of two nanocrystals is characterized by ligand textures in the form of vortices. These results are generalized to nanocrystals of different types (differing core and ligand sizes) where the structure of the vortices depends on the softness asymmetry. We provide rigorous calculations for the binding free energy, show that these energies are independent of the chemical composition of the cores, and derive analytical formulas for the equilibrium separation.more » We discuss the implications of our results for the self-assembly of single-component and binary nanoparticle superlattices. Overall, our results show that the structure of the ligands completely determines the bonding of nanocrystals, fully supporting the predictions of the recently proposed Orbifold topological model.« less

Solar wind/local interstellar medium interaction including charge exchange with neural hydrogen

NASA Technical Reports Server (NTRS)

Pauls, H. Louis; Zank, Gary P.

1995-01-01

We present results from a hydrodynamic model of the interaction of the solar wind with the local interstellar medium (LISM), self-consistently taking into account the effects of charge exchange between the plasma component and the interstellar neutrals. The simulation is fully time dependent, and is carried out in two or three dimensions, depending on whether the helio-latitudinal dependence of the solar wind speed and number density (both giving rise to three dimensional effects) are included. As a first approximation it is assumed that the neutral component of the flow can be described by a single, isotropic fluid. Clearly, this is not the actual situation, since charge exchange with the supersonic solar wind plasma in the region of the nose results in a 'second' neutral fluid propagating in the opposite direction as that of the LISM neutrals.

Fourier transform-based scattering-rate method for self-consistent simulations of carrier transport in semiconductor heterostructures

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

Schrottke, L., E-mail: lutz@pdi-berlin.de; Lü, X.; Grahn, H. T.

We present a self-consistent model for carrier transport in periodic semiconductor heterostructures completely formulated in the Fourier domain. In addition to the Hamiltonian for the layer system, all expressions for the scattering rates, the applied electric field, and the carrier distribution are treated in reciprocal space. In particular, for slowly converging cases of the self-consistent solution of the Schrödinger and Poisson equations, numerous transformations between real and reciprocal space during the iterations can be avoided by using the presented method, which results in a significant reduction of computation time. Therefore, it is a promising tool for the simulation and efficientmore » design of complex heterostructures such as terahertz quantum-cascade lasers.« less

Influence of self-gravity on the runaway instability of black-hole-torus systems.

PubMed

Montero, Pedro J; Font, José A; Shibata, Masaru

2010-05-14

Results from the first fully general relativistic numerical simulations in axisymmetry of a system formed by a black hole surrounded by a self-gravitating torus in equilibrium are presented, aiming to assess the influence of the torus self-gravity on the onset of the runaway instability. We consider several models with varying torus-to-black-hole mass ratio and angular momentum distribution orbiting in equilibrium around a nonrotating black hole. The tori are perturbed to induce the mass transfer towards the black hole. Our numerical simulations show that all models exhibit a persistent phase of axisymmetric oscillations around their equilibria for several dynamical time scales without the appearance of the runaway instability, indicating that the self-gravity of the torus does not play a critical role favoring the onset of the instability, at least during the first few dynamical time scales.

Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport

NASA Astrophysics Data System (ADS)

Estève, D.; Sarazin, Y.; Garbet, X.; Grandgirard, V.; Breton, S.; Donnel, P.; Asahi, Y.; Bourdelle, C.; Dif-Pradalier, G.; Ehrlacher, C.; Emeriau, C.; Ghendrih, Ph.; Gillot, C.; Latu, G.; Passeron, C.

2018-03-01

Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code (Grandgirard et al 2016 Comput. Phys. Commun. 207 35). A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime that is probably relevant for tungsten, the standard expression for the neoclassical impurity flux is shown to be recovered from gyrokinetics with the employed collision operator. Purely neoclassical simulations of deuterium plasma with trace impurities of helium, carbon and tungsten lead to impurity diffusion coefficients, inward pinch velocities due to density peaking, and thermo-diffusion terms which quantitatively agree with neoclassical predictions and NEO simulations (Belli et al 2012 Plasma Phys. Control. Fusion 54 015015). The thermal screening factor appears to be less than predicted analytically in the Pfirsch-Schlüter regime, which can be detrimental to fusion performance. Finally, self-consistent nonlinear simulations have revealed that the tungsten impurity flux is not the sum of turbulent and neoclassical fluxes computed separately, as is usually assumed. The synergy partly results from the turbulence-driven in-out poloidal asymmetry of tungsten density. This result suggests the need for self-consistent simulations of impurity transport, i.e. including both turbulence and neoclassical physics, in view of quantitative predictions for ITER.

Asymptotic Normality of the Maximum Pseudolikelihood Estimator for Fully Visible Boltzmann Machines.

PubMed

Nguyen, Hien D; Wood, Ian A

2016-04-01

Boltzmann machines (BMs) are a class of binary neural networks for which there have been numerous proposed methods of estimation. Recently, it has been shown that in the fully visible case of the BM, the method of maximum pseudolikelihood estimation (MPLE) results in parameter estimates, which are consistent in the probabilistic sense. In this brief, we investigate the properties of MPLE for the fully visible BMs further, and prove that MPLE also yields an asymptotically normal parameter estimator. These results can be used to construct confidence intervals and to test statistical hypotheses. These constructions provide a closed-form alternative to the current methods that require Monte Carlo simulation or resampling. We support our theoretical results by showing that the estimator behaves as expected in simulation studies.

Electron holes in phase space: What they are and why they matter

NASA Astrophysics Data System (ADS)

Hutchinson, I. H.

2017-05-01

This is a tutorial and selective review explaining the fundamental concepts and some currently open questions concerning the plasma phenomenon of the electron hole. The widespread occurrence of electron holes in numerical simulations, space-craft observations, and laboratory experiments is illustrated. The elementary underlying theory is developed of a one-dimensional electron hole as a localized potential maximum, self-consistently sustained by a deficit of trapped electron phase-space density. The spatial extent of a hole is typically a few Debye lengths; what determines the minimum and maximum possible lengths is explained, addressing the key aspects of the as yet unsettled dispute between the integral and differential approaches to hole structure. In multiple dimensions, holes tend to form less readily; they generally require a magnetic field and distribution-function anisotropy. The mechanisms by which they break up are explained, noting that this transverse instability is not fully understood. Examples are given of plasma circumstances where holes play an important role, and of recent progress on understanding their holistic kinematics and self-acceleration.

Distributed Simulation as a modelling tool for the development of a simulation-based training programme for cardiovascular specialties.

PubMed

Kelay, Tanika; Chan, Kah Leong; Ako, Emmanuel; Yasin, Mohammad; Costopoulos, Charis; Gold, Matthew; Kneebone, Roger K; Malik, Iqbal S; Bello, Fernando

2017-01-01

Distributed Simulation is the concept of portable, high-fidelity immersive simulation. Here, it is used for the development of a simulation-based training programme for cardiovascular specialities. We present an evidence base for how accessible, portable and self-contained simulated environments can be effectively utilised for the modelling, development and testing of a complex training framework and assessment methodology. Iterative user feedback through mixed-methods evaluation techniques resulted in the implementation of the training programme. Four phases were involved in the development of our immersive simulation-based training programme: ( 1) initial conceptual stage for mapping structural criteria and parameters of the simulation training framework and scenario development ( n  = 16), (2) training facility design using Distributed Simulation , (3) test cases with clinicians ( n  = 8) and collaborative design, where evaluation and user feedback involved a mixed-methods approach featuring (a) quantitative surveys to evaluate the realism and perceived educational relevance of the simulation format and framework for training and (b) qualitative semi-structured interviews to capture detailed feedback including changes and scope for development. Refinements were made iteratively to the simulation framework based on user feedback, resulting in (4) transition towards implementation of the simulation training framework, involving consistent quantitative evaluation techniques for clinicians ( n  = 62). For comparative purposes, clinicians' initial quantitative mean evaluation scores for realism of the simulation training framework, realism of the training facility and relevance for training ( n  = 8) are presented longitudinally, alongside feedback throughout the development stages from concept to delivery, including the implementation stage ( n  = 62). Initially, mean evaluation scores fluctuated from low to average, rising incrementally. This corresponded with the qualitative component, which augmented the quantitative findings; trainees' user feedback was used to perform iterative refinements to the simulation design and components (collaborative design), resulting in higher mean evaluation scores leading up to the implementation phase. Through application of innovative Distributed Simulation techniques, collaborative design, and consistent evaluation techniques from conceptual, development, and implementation stages, fully immersive simulation techniques for cardiovascular specialities are achievable and have the potential to be implemented more broadly.

GaAs circuits for monolithic optical controller

NASA Technical Reports Server (NTRS)

Gustafson, G.; Bendett, M.; Carney, J.; Mactaggart, R.; Palmquist, S.

1988-01-01

GaAs circuits for use in a fully monolithic 1 Gb/s optical controller have been developed and tested. The circuits include photodetectors, transimpedance amplifiers and 1:16 demultiplexers that can directly control the phase of MMIC phase shifters. The entire chip contains approximately 300 self-aligned gate E/D-mode MESFETs. The MESFETs have one micron-wide gate and the E-mode FETs typically have transconductance of 200 ms/mm. Results of simulations and tests are reported. Also, the design and layout of the fully monolithic chip is discussed.

Anomalous electron transport in Hall-effect thrusters: Comparison between quasi-linear kinetic theory and particle-in-cell simulations

NASA Astrophysics Data System (ADS)

Lafleur, T.; Martorelli, R.; Chabert, P.; Bourdon, A.

2018-06-01

Kinetic drift instabilities have been implicated as a possible mechanism leading to anomalous electron cross-field transport in E × B discharges, such as Hall-effect thrusters. Such instabilities, which are driven by the large disparity in electron and ion drift velocities, present a significant challenge to modelling efforts without resorting to time-consuming particle-in-cell (PIC) simulations. Here, we test aspects of quasi-linear kinetic theory with 2D PIC simulations with the aim of developing a self-consistent treatment of these instabilities. The specific quantities of interest are the instability growth rate (which determines the spatial and temporal evolution of the instability amplitude), and the instability-enhanced electron-ion friction force (which leads to "anomalous" electron transport). By using the self-consistently obtained electron distribution functions from the PIC simulations (which are in general non-Maxwellian), we find that the predictions of the quasi-linear kinetic theory are in good agreement with the simulation results. By contrast, the use of Maxwellian distributions leads to a growth rate and electron-ion friction force that is around 2-4 times higher, and consequently significantly overestimates the electron transport. A possible method for self-consistently modelling the distribution functions without requiring PIC simulations is discussed.

Self-consistent core-pedestal transport simulations with neural network accelerated models

DOE PAGES

Meneghini, Orso; Smith, Sterling P.; Snyder, Philip B.; ...

2017-07-12

Fusion whole device modeling simulations require comprehensive models that are simultaneously physically accurate, fast, robust, and predictive. In this paper we describe the development of two neural-network (NN) based models as a means to perform a snon-linear multivariate regression of theory-based models for the core turbulent transport fluxes, and the pedestal structure. Specifically, we find that a NN-based approach can be used to consistently reproduce the results of the TGLF and EPED1 theory-based models over a broad range of plasma regimes, and with a computational speedup of several orders of magnitudes. These models are then integrated into a predictive workflowmore » that allows prediction with self-consistent core-pedestal coupling of the kinetic profiles within the last closed flux surface of the plasma. Finally, the NN paradigm is capable of breaking the speed-accuracy trade-off that is expected of traditional numerical physics models, and can provide the missing link towards self-consistent coupled core-pedestal whole device modeling simulations that are physically accurate and yet take only seconds to run.« less

Self-consistent core-pedestal transport simulations with neural network accelerated models

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

Meneghini, Orso; Smith, Sterling P.; Snyder, Philip B.

Fusion whole device modeling simulations require comprehensive models that are simultaneously physically accurate, fast, robust, and predictive. In this paper we describe the development of two neural-network (NN) based models as a means to perform a snon-linear multivariate regression of theory-based models for the core turbulent transport fluxes, and the pedestal structure. Specifically, we find that a NN-based approach can be used to consistently reproduce the results of the TGLF and EPED1 theory-based models over a broad range of plasma regimes, and with a computational speedup of several orders of magnitudes. These models are then integrated into a predictive workflowmore » that allows prediction with self-consistent core-pedestal coupling of the kinetic profiles within the last closed flux surface of the plasma. Finally, the NN paradigm is capable of breaking the speed-accuracy trade-off that is expected of traditional numerical physics models, and can provide the missing link towards self-consistent coupled core-pedestal whole device modeling simulations that are physically accurate and yet take only seconds to run.« less

Self-consistent core-pedestal transport simulations with neural network accelerated models

NASA Astrophysics Data System (ADS)

Meneghini, O.; Smith, S. P.; Snyder, P. B.; Staebler, G. M.; Candy, J.; Belli, E.; Lao, L.; Kostuk, M.; Luce, T.; Luda, T.; Park, J. M.; Poli, F.

2017-08-01

Fusion whole device modeling simulations require comprehensive models that are simultaneously physically accurate, fast, robust, and predictive. In this paper we describe the development of two neural-network (NN) based models as a means to perform a snon-linear multivariate regression of theory-based models for the core turbulent transport fluxes, and the pedestal structure. Specifically, we find that a NN-based approach can be used to consistently reproduce the results of the TGLF and EPED1 theory-based models over a broad range of plasma regimes, and with a computational speedup of several orders of magnitudes. These models are then integrated into a predictive workflow that allows prediction with self-consistent core-pedestal coupling of the kinetic profiles within the last closed flux surface of the plasma. The NN paradigm is capable of breaking the speed-accuracy trade-off that is expected of traditional numerical physics models, and can provide the missing link towards self-consistent coupled core-pedestal whole device modeling simulations that are physically accurate and yet take only seconds to run.

Elastic plastic self-consistent (EPSC) modeling of plastic deformation in fayalite olivine

DOE PAGES

Burnley, Pamela C

2015-07-01

Elastic plastic self-consistent (EPSC) simulations are used to model synchrotron X-ray diffraction observations from deformation experiments on fayalite olivine using the deformation DIA apparatus. Consistent with results from other in situ diffraction studies of monomineralic polycrystals, the results show substantial variations in stress levels among grain populations. Rather than averaging the lattice reflection stresses or choosing a single reflection to determine the macroscopic stress supported by the specimen, an EPSC simulation is used to forward model diffraction data and determine a macroscopic stress that is consistent with lattice strains of all measured diffraction lines. The EPSC simulation presented here includesmore » kink band formation among the plastic deformation mechanisms in the simulation. The inclusion of kink band formation is critical to the success of the models. This study demonstrates the importance of kink band formation as an accommodation mechanism during plastic deformation of olivine as well as the utility of using EPSC models to interpret diffraction from in situ deformation experiments.« less

Energetic-particle-modified global Alfvén eigenmodes

NASA Astrophysics Data System (ADS)

Lestz, J. B.; Belova, E. V.; Gorelenkov, N. N.

2018-04-01

Fully self-consistent hybrid MHD/particle simulations reveal strong energetic particle modifications to sub-cyclotron global Alfvén eigenmodes (GAEs) in low-aspect ratio, NSTX-like conditions. Key parameters defining the fast ion distribution function—the normalized injection velocity v0/vA and central pitch—are varied in order to study their influence on the characteristics of the excited modes. It is found that the frequency of the most unstable mode changes significantly and continuously with beam parameters, in accordance with the Doppler-shifted cyclotron resonances which drive the modes, and depending most substantially on v0/vA . This unexpected result is present for both counter-propagating GAEs, which are routinely excited in NSTX, and high frequency co-GAEs, which have not been previously studied. Large changes in frequency without clear corresponding changes in the mode structure are signatures of an energetic particle mode, referred to here as an energetic-particle-modified GAE. Additional simulations conducted for a fixed MHD equilibrium demonstrate that the GAE frequency shift cannot be explained by the equilibrium changes due to energetic particle effects.

Energetic-particle-modified global Alfven eigenmodes

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

Lestz, J. B.; Belova, E. V.; Gorelenkov, N. N.

Fully self-consistent hybrid MHD/particle simulations reveal strong energetic particle modifications to sub-cyclotron global Alfvén eigenmodes (GAEs) in low-aspect ratio, NSTX-like conditions. Key parameters defining the fast ion distribution function—the normalized injection velocity v 0/v A and central pitch—are varied in order to study their influence on the characteristics of the excited modes. It is found that the frequency of the most unstable mode changes significantly and continuously with beam parameters, in accordance with the Doppler-shifted cyclotron resonances which drive the modes, and depending most substantially on v 0/v A. This unexpected result is present for both counter-propagating GAEs, which aremore » routinely excited in NSTX, and high frequency co-GAEs, which have not been previously studied. Large changes in frequency without clear corresponding changes in the mode structure are signatures of an energetic particle mode, referred to here as an energetic-particle-modified GAE. In conclusion, additional simulations conducted for a fixed MHD equilibrium demonstrate that the GAE frequency shift cannot be explained by the equilibrium changes due to energetic particle effects.« less

Energetic-particle-modified global Alfven eigenmodes

DOE PAGES

Lestz, J. B.; Belova, E. V.; Gorelenkov, N. N.

2018-04-30

Fully self-consistent hybrid MHD/particle simulations reveal strong energetic particle modifications to sub-cyclotron global Alfvén eigenmodes (GAEs) in low-aspect ratio, NSTX-like conditions. Key parameters defining the fast ion distribution function—the normalized injection velocity v 0/v A and central pitch—are varied in order to study their influence on the characteristics of the excited modes. It is found that the frequency of the most unstable mode changes significantly and continuously with beam parameters, in accordance with the Doppler-shifted cyclotron resonances which drive the modes, and depending most substantially on v 0/v A. This unexpected result is present for both counter-propagating GAEs, which aremore » routinely excited in NSTX, and high frequency co-GAEs, which have not been previously studied. Large changes in frequency without clear corresponding changes in the mode structure are signatures of an energetic particle mode, referred to here as an energetic-particle-modified GAE. In conclusion, additional simulations conducted for a fixed MHD equilibrium demonstrate that the GAE frequency shift cannot be explained by the equilibrium changes due to energetic particle effects.« less

Particle model of a cylindrical inductively coupled ion source

NASA Astrophysics Data System (ADS)

Ippolito, N. D.; Taccogna, F.; Minelli, P.; Cavenago, M.; Veltri, P.

2017-08-01

In spite of the wide use of RF sources, a complete understanding of the mechanisms regulating the RF-coupling of the plasma is still lacking so self-consistent simulations of the involved physics are highly desirable. For this reason we are developing a 2.5D fully kinetic Particle-In-Cell Monte-Carlo-Collision (PIC-MCC) model of a cylindrical ICP-RF source, keeping the time step of the simulation small enough to resolve the plasma frequency scale. The grid cell dimension is now about seven times larger than the average Debye length, because of the large computational demand of the code. It will be scaled down in the next phase of the development of the code. The filling gas is Xenon, in order to minimize the time lost by the MCC collision module in the first stage of development of the code. The results presented here are preliminary, with the code already showing a good robustness. The final goal will be the modeling of the NIO1 (Negative Ion Optimization phase 1) source, operating in Padua at Consorzio RFX.

First-order exchange coefficient coupling for simulating surface water-groundwater interactions: Parameter sensitivity and consistency with a physics-based approach

USGS Publications Warehouse

Ebel, B.A.; Mirus, B.B.; Heppner, C.S.; VanderKwaak, J.E.; Loague, K.

2009-01-01

Distributed hydrologic models capable of simulating fully-coupled surface water and groundwater flow are increasingly used to examine problems in the hydrologic sciences. Several techniques are currently available to couple the surface and subsurface; the two most frequently employed approaches are first-order exchange coefficients (a.k.a., the surface conductance method) and enforced continuity of pressure and flux at the surface-subsurface boundary condition. The effort reported here examines the parameter sensitivity of simulated hydrologic response for the first-order exchange coefficients at a well-characterized field site using the fully coupled Integrated Hydrology Model (InHM). This investigation demonstrates that the first-order exchange coefficients can be selected such that the simulated hydrologic response is insensitive to the parameter choice, while simulation time is considerably reduced. Alternatively, the ability to choose a first-order exchange coefficient that intentionally decouples the surface and subsurface facilitates concept-development simulations to examine real-world situations where the surface-subsurface exchange is impaired. While the parameters comprising the first-order exchange coefficient cannot be directly estimated or measured, the insensitivity of the simulated flow system to these parameters (when chosen appropriately) combined with the ability to mimic actual physical processes suggests that the first-order exchange coefficient approach can be consistent with a physics-based framework. Copyright ?? 2009 John Wiley & Sons, Ltd.

Convergence of quasiparticle self-consistent GW calculations of transition metal monoxides

NASA Astrophysics Data System (ADS)

Das, Suvadip; Coulter, John E.; Manousakis, Efstratios

2015-03-01

We have investigated the electronic structure of the transition metal monoxides MnO, CoO, and NiO in their undistorted rock-salt structure within a fully iterated quasiparticle self-consistent GW (QPscGW) scheme. We have studied the convergence of the QPscGW method, i.e., how the quasiparticle energy eigenvalues and wavefunctions converge as a function of the QPscGW iterations, and compared the converged outputs obtained from different starting wavefunctions. We found that the convergence is slow and that a one-shot G0W0 calculation does not significantly improve the initial eigenvalues and states. In some cases the ``path'' to convergence may go through energy band reordering which cannot be captured by the simple initial unperturbed Hamiltonian. When a fully iterated solution is reached, the converged density of states, band-gaps and magnetic moments of these oxides are found to be only weakly dependent on the choice of the starting wavefunctions and in reasonable agreement with the experiment. National High Magnetic Field Laboratory.

Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer

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

Säkkinen, Niko; Peng, Yang; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem

2015-12-21

We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The formalism takes correctly into account effects of the initial preparation of an equilibrium state and allows for an explicit time-dependence of both the electronic and phononic degrees of freedom. The method is applied to investigate the charge neutral and non-neutral excitation spectra of a homogeneous, two-site, two-electron Holstein model. This is an extension of a previous study of the ground state properties in the Hartree (H), partially self-consistent Born (Gd) and fully self-consistent Born (GD) approximationsmore » published in Säkkinen et al. [J. Chem. Phys. 143, 234101 (2015)]. Here, the homogeneous ground state solution is shown to become unstable for a sufficiently strong interaction while a symmetry-broken ground state solution is shown to be stable in the Hartree approximation. Signatures of this instability are observed for the partially self-consistent Born approximation but are not found for the fully self-consistent Born approximation. By understanding the stability properties, we are able to study the linear response regime by calculating the density-density response function by time-propagation. This amounts to a solution of the Bethe-Salpeter equation with a sophisticated kernel. The results indicate that none of the approximations is able to describe the response function during or beyond the bipolaronic crossover for the parameters investigated. Overall, we provide an extensive discussion on when the approximations are valid and how they fail to describe the studied exact properties of the chosen model system.« less

Self-Tuning Fully-Connected PID Neural Network System for Distributed Temperature Sensing and Control of Instrument with Multi-Modules.

PubMed

Zhang, Zhen; Ma, Cheng; Zhu, Rong

2016-10-14

High integration of multi-functional instruments raises a critical issue in temperature control that is challenging due to its spatial-temporal complexity. This paper presents a multi-input multi-output (MIMO) self-tuning temperature sensing and control system for efficiently modulating the temperature environment within a multi-module instrument. The smart system ensures that the internal temperature of the instrument converges to a target without the need of a system model, thus making the control robust. The system consists of a fully-connected proportional-integral-derivative (PID) neural network (FCPIDNN) and an on-line self-tuning module. The experimental results show that the presented system can effectively control the internal temperature under various mission scenarios, in particular, it is able to self-reconfigure upon actuator failure. The system provides a new scheme for a complex and time-variant MIMO control system which can be widely applied for the distributed measurement and control of the environment in instruments, integration electronics, and house constructions.

Self-consistent simulation of CdTe solar cells with active defects

DOE PAGES

Brinkman, Daniel; Guo, Da; Akis, Richard; ...

2015-07-21

We demonstrate a self-consistent numerical scheme for simulating an electronic device which contains active defects. As a specific case, we consider copper defects in cadmium telluride solar cells. The presence of copper has been shown experimentally to play a crucial role in predicting device performance. The primary source of this copper is migration away from the back contact during annealing, which likely occurs predominantly along grain boundaries. We introduce a mathematical scheme for simulating this effect in 2D and explain the numerical implementation of the system. Lastly, we will give numerical results comparing our results to known 1D simulations tomore » demonstrate the accuracy of the solver and then show results unique to the 2D case.« less

Transport properties of carbon dioxide and methane from molecular dynamics simulations.

PubMed

Aimoli, C G; Maginn, E J; Abreu, C R A

2014-10-07

Transport properties of carbon dioxide and methane are predicted for temperatures between (273.15 and 573.15) K and pressures up to 800 MPa by molecular dynamics simulations. Viscosities and thermal conductivities were obtained through the Green-Kubo formalism, whereas the Einstein relation was used to provide self-diffusion coefficient estimates. The differences in property predictions due to the force field nature and parametrization were investigated by the comparison of seven different CO2 models (two single-site models, three rigid three-site models, and two fully flexible three-site models) and three different CH4 models (two single-site models and one fully flexible five-site model). The simulation results show good agreement with experimental data, except for thermal conductivities at low densities. The molecular structure and force field parameters play an important role in the accuracy of the simulations, which is within the experimental deviations reported for viscosities and self-diffusion coefficients considering the most accurate CO2 and CH4 models studied. On the other hand, the molecular flexibility does not seem to improve accuracy, since the explicit account of vibrational and bending degrees of freedom in the CO2 flexible models leads to slightly less accurate results. Nonetheless, the use of a correctional term to account for vibrational modes in rigid models generally improves estimations of thermal conductivity values. At extreme densities, the caging effect observed with single-site representations of the molecules restrains mobility and leads to an unphysical overestimation of viscosities and, conversely, to the underestimation of self-diffusion coefficients. This result may help to better understand the limits of applicability of such force fields concerning structural and transport properties of dense systems.

Protein Folding and Self-Organized Criticality

NASA Astrophysics Data System (ADS)

Bajracharya, Arun; Murray, Joelle

Proteins are known to fold into tertiary structures that determine their functionality in living organisms. However, the complex dynamics of protein folding and the way they consistently fold into the same structures is not fully understood. Self-organized criticality (SOC) has provided a framework for understanding complex systems in various systems (earthquakes, forest fires, financial markets, and epidemics) through scale invariance and the associated power law behavior. In this research, we use a simple hydrophobic-polar lattice-bound computational model to investigate self-organized criticality as a possible mechanism for generating complexity in protein folding.

Numerical modeling of the coupling of an ICRH antenna with a plasma with self-consistent antenna currents

NASA Astrophysics Data System (ADS)

Pécoul, S.; Heuraux, S.; Koch, R.; Leclert, G.

2002-07-01

A realistic modeling of ICRH antennas requires the knowledge of the antenna currents. The code ICANT determines self-consistently these currents and, as a byproduct, the electrical characteristics of the antenna (radiated power, propagation constants on straps, frequency response, … ). The formalism allows for the description of three-dimensional antenna elements (for instance, finite size thick screen blades). The results obtained for various cases where analytical results are available are discussed. The resonances appearing in the spectrum and the occurrence of unphysical resonant modes are discussed. The capability of this self-consistent method is illustrated by a number of examples, e.g., fully conducting thin or thick screen bars leading to magnetic shielding effects, frequency response and resonances of an end-tuned antenna, field distributions in front of a Tore-Supra type antenna with tilted screen blades.

Can Bose condensation of alpha particles be observed in heavy ion collisions?

NASA Technical Reports Server (NTRS)

Tripathi, Ram K.; Townsend, Lawrence W.

1993-01-01

Using a fully self-consistent quantum statistical model, we demonstrate the possibility of Bose condensation of alpha particles with a concomitant phase transition in heavy ion collisions. Suggestions for the experimental observation of the signature of the onset of this phenomenon are made.

Theory of the interface between a classical plasma and a hard wall

NASA Astrophysics Data System (ADS)

Ballone, P.; Pastore, G.; Tosi, M. P.

1984-12-01

The interfacial density profile of a classical one-component plasma confined by a hard wall is studied in planar and spherical geometries. The approach adapts to interfacial problems a modified hypernetted-chain approximation developed by Lado and by Rosenfeld and Ashcroft for the bulk structure of simple liquids. The specific new aim is to embody self-consistently into the theory a “contact theorem”, fixing the plasma density at the wall through an equilibrium condition which involves the electrical potential drop across the interface and the bulk pressure. The theory is brought into fully quantitative contact with computer simulation data for a plasma confined in a spherical cavity of large but finite radius. It is also shown that the interfacial potential at the point of zero charge is accurately reproduced by suitably combining the contact theorem with relevant bulk properties in a simple, approximate representation of the interfacial charge density profile.

Three dimensional δf simulations of beams in the SSC

NASA Astrophysics Data System (ADS)

Koga, J.; Tajima, T.; Machida, S.

1993-12-01

A three dimensional δf strong-strong algorithm has been developed to apply to the study of such effects as space charge and beam-beam interaction phenomena in the Superconducting Super Collider (SSC). The algorithm is obtained from the merging of the particle tracking code Simpsons used for 3 dimensional space charge effects and a δf code. The δf method is used to follow the evolution of the non-gaussian part of the beam distribution. The advantages of this method are twofold. First, the Simpsons code utilizes a realistic accelerator model including synchrotron oscillations and energy ramping in 6 dimensional phase space with electromagnetic fields of the beams calculated using a realistic 3 dimensional field solver. Second, the beams are evolving in the fully self-consistent strong-strong sense with finite particle fluctuation noise is greatly reduced as opposed to the weak-strong models where one beam is fixed.

A note on the velocity derivative flatness factor in decaying HIT

NASA Astrophysics Data System (ADS)

Djenidi, L.; Danaila, L.; Antonia, R. A.; Tang, S.

2017-05-01

We develop an analytical expression for the velocity derivative flatness factor, F, in decaying homogenous and isotropic turbulence (HIT) starting with the transport equation of the third-order moment of the velocity increment and assuming self-preservation. This expression, fully consistent with the Navier-Stokes equations, relates F to the product between the second-order pressure derivative (∂2p /∂x2) and second-order moment of the longitudinal velocity derivative ((∂u/∂x ) 2), highlighting the role the pressure plays in the scaling of the fourth-order moment of the longitudinal velocity derivative. It is also shown that F has an upper bound which follows the integral of k*4Ep*(k* ) where Ep and k are the pressure spectrum and the wavenumber, respectively (the symbol * represents the Kolmogorov normalization). Direct numerical simulations of forced HIT suggest that this integral converges toward a constant as the Reynolds number increases.

An efficient spectral method for the simulation of dynamos in Cartesian geometry and its implementation on massively parallel computers

NASA Astrophysics Data System (ADS)

Stellmach, Stephan; Hansen, Ulrich

2008-05-01

Numerical simulations of the process of convection and magnetic field generation in planetary cores still fail to reach geophysically realistic control parameter values. Future progress in this field depends crucially on efficient numerical algorithms which are able to take advantage of the newest generation of parallel computers. Desirable features of simulation algorithms include (1) spectral accuracy, (2) an operation count per time step that is small and roughly proportional to the number of grid points, (3) memory requirements that scale linear with resolution, (4) an implicit treatment of all linear terms including the Coriolis force, (5) the ability to treat all kinds of common boundary conditions, and (6) reasonable efficiency on massively parallel machines with tens of thousands of processors. So far, algorithms for fully self-consistent dynamo simulations in spherical shells do not achieve all these criteria simultaneously, resulting in strong restrictions on the possible resolutions. In this paper, we demonstrate that local dynamo models in which the process of convection and magnetic field generation is only simulated for a small part of a planetary core in Cartesian geometry can achieve the above goal. We propose an algorithm that fulfills the first five of the above criteria and demonstrate that a model implementation of our method on an IBM Blue Gene/L system scales impressively well for up to O(104) processors. This allows for numerical simulations at rather extreme parameter values.

Tango

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

Parker, Jeffrey

Tango enables the accelerated numerical solution of the multiscale problem of self-consistent transport and turbulence. Fast turbulence results in fluxes of heat and particles that slowly change the mean profiles of temperature and density. The fluxes are computed by separate turbulence simulation codes; Tang solves for the self-consistent change in mean temperature or density given those fluxes.

Decay of passive scalar fluctuations in axisymmetric turbulence

NASA Astrophysics Data System (ADS)

Yoshimatsu, Katsunori; Davidson, Peter A.; Kaneda, Yukio

2016-11-01

Passive scalar fluctuations in axisymmetric Saffman turbulence are examined theoretically and numerically. Theoretical predictions are verified by direct numerical simulation (DNS). According to the DNS, self-similar decay of the turbulence and the persistency of the large-scale anisotropy are found for its fully developed turbulence. The DNS confirms the time-independence of the Corrsin integral.

Self-Reconfigurable Robots

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

HENSINGER, DAVID M.; JOHNSTON, GABRIEL A.; HINMAN-SWEENEY, ELAINE M.

2002-10-01

A distributed reconfigurable micro-robotic system is a collection of unlimited numbers of distributed small, homogeneous robots designed to autonomously organize and reorganize in order to achieve mission-specified geometric shapes and functions. This project investigated the design, control, and planning issues for self-configuring and self-organizing robots. In the 2D space a system consisting of two robots was prototyped and successfully displayed automatic docking/undocking to operate dependently or independently. Additional modules were constructed to display the usefulness of a self-configuring system in various situations. In 3D a self-reconfiguring robot system of 4 identical modules was built. Each module connects to its neighborsmore » using rotating actuators. An individual component can move in three dimensions on its neighbors. We have also built a self-reconfiguring robot system consisting of 9-module Crystalline Robot. Each module in this robot is actuated by expansion/contraction. The system is fully distributed, has local communication (to neighbors) capabilities and it has global sensing capabilities.« less

Anomalous radiation effects in fully depleted SOI MOSFETs fabricated on SIMOX

NASA Astrophysics Data System (ADS)

Li, Ying; Niu, Guofu; Cressler, J. D.; Patel, J.; Marshall, C. J.; Marshall, P. W.; Kim, H. S.; Reed, R. A.; Palmer, M. J.

2001-12-01

We investigate the proton tolerance of fully depleted silicon-on-insulator (SOI) MOSFETs with H-gate and regular-gate structural configurations. For the front-gate characteristics, the H-gate does not show the edge leakage observed in the regular-gate transistor. An anomalous kink in the back-gate linear I/sub D/-V/sub GS/ characteristics of the fully depleted SOI nFETs has been observed at high radiation doses. This kink is attributed to charged traps generated in the bandgap at the buried oxide/silicon film interface during irradiation. Extensive two-dimensional simulations with MEDICI were used to understand the physical origin of this kink. We also report unusual self-annealing effects in the devices when they are cooled to liquid nitrogen temperature.

Dynamical evolution of galaxies in dense cluster environment.

NASA Astrophysics Data System (ADS)

Gnedin, O. Y.

1997-12-01

I present the results of study of the dynamics of galaxies in clusters of galaxies. The effects of the galaxy environment could be quite dramatic. The time-varying gravitational potential of the cluster subjects the galaxies to strong tidal effects. The tidal density cutoff effectively strips the dark matter halos and leads to highly concentrated structures in the galactic centers. The fast gravitational tidal shocks raise the random motion of stars in the galaxies, transforming the thin disks into the kinematically hot thick configurations. The tidal shocks also cause relaxation of stellar energies that enhances the rate of accretion onto the galactic centers. These effects of the time-varying cluster potential have not been consistently taken into account before. I present numerical N-body simulations of galaxies using the Self-Consistent Field code with 10(7) - 10(8) particles. The code is coupled with the PM code that provides a fully dynamic simulation of the cluster potential. The tidal field of the cluster along the galaxy trajectories is imposed as an external perturbation on the galaxies in the SCF scheme. Recent HST observations show that the high-redshift (z > 0.4) clusters contain numerous bright blue spirals, often with distorted profiles, whereas the nearby clusters are mostly populated by featureless ellipticals. The goal of my study is to understand whether dynamics is responsible for the observed strong evolution of galaxies in clusters.

Active and Passive 3D Vector Radiative Transfer with Preferentially-Aligned Ice Particles

NASA Astrophysics Data System (ADS)

Adams, I. S.; Munchak, S. J.; Pelissier, C.; Kuo, K. S.; Heymsfield, G. M.

2017-12-01

To support the observation of clouds and precipitation using combinations of radars and radiometers, a forward model capable of representing diverse sensing geometries for active and passive instruments is necessary for correctly interpreting and consistently combining multi-sensor measurements from ground-based, airborne, and spaceborne platforms. As such, the Atmospheric Radiative Transfer Simulator (ARTS) uses Monte Carlo integration to produce radar reflectivities and radiometric brightness temperatures for three-dimensional cloud and precipitation input fields. This radiative transfer framework is capable of efficiently sampling Gaussian antenna beams and fully accounting for multiple scattering. By relying on common ray-tracing tools, gaseous absorption models, and scattering properties, the model reproduces accurate and consistent radar and radiometer observables. While such a framework is an important component for simulating remote sensing observables, the key driver for self-consistent radiative transfer calculations of clouds and precipitation is scattering data. Research over the past decade has demonstrated that spheroidal models of frozen hydrometeors cannot accurately reproduce all necessary scattering properties at all desired frequencies. The discrete dipole approximation offers flexibility in calculating scattering for arbitrary particle geometries, but at great computational expense. When considering scattering for certain pristine ice particles, the Extended Boundary Condition Method, or T-Matrix, is much more computationally efficient; however, convergence for T-Matrix calculations fails at large size parameters and high aspect ratios. To address these deficiencies, we implemented the Invariant Imbedding T-Matrix Method (IITM). A brief overview of ARTS and IITM will be given, including details for handling preferentially-aligned hydrometeors. Examples highlighting the performance of the model for simulating space-based and airborne measurements will be offered, and some case studies showing the response to particle type and orientation will be presented. Simulations of polarized radar (Z, LDR, ZDR) and radiometer (Stokes I and Q) quantities will be used to demonstrate the capabilities of the model.

Multi-Physics Demonstration Problem with the SHARP Reactor Simulation Toolkit

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

Merzari, E.; Shemon, E. R.; Yu, Y. Q.

This report describes to employ SHARP to perform a first-of-a-kind analysis of the core radial expansion phenomenon in an SFR. This effort required significant advances in the framework Multi-Physics Demonstration Problem with the SHARP Reactor Simulation Toolkit used to drive the coupled simulations, manipulate the mesh in response to the deformation of the geometry, and generate the necessary modified mesh files. Furthermore, the model geometry is fairly complex, and consistent mesh generation for the three physics modules required significant effort. Fully-integrated simulations of a 7-assembly mini-core test problem have been performed, and the results are presented here. Physics models ofmore » a full-core model of the Advanced Burner Test Reactor have also been developed for each of the three physics modules. Standalone results of each of the three physics modules for the ABTR are presented here, which provides a demonstration of the feasibility of the fully-integrated simulation.« less

Total fluid pressure imbalance in the scrape-off layer of tokamak plasmas

NASA Astrophysics Data System (ADS)

Churchill, R. M.; Canik, J. M.; Chang, C. S.; Hager, R.; Leonard, A. W.; Maingi, R.; Nazikian, R.; Stotler, D. P.

2017-04-01

Simulations using the fully kinetic neoclassical code XGCa (X-point included guiding- center axisymmetric) were undertaken to explore the impact of kinetic effects on scrape-off layer (SOL) physics in DIII-D H-mode plasmas. XGCa is a total-f, gyrokinetic code which self-consistently calculates the axisymmetric electrostatic potential and plasma dynamics, and includes modules for Monte Carlo neutral transport. Previously presented XGCa results showed several noteworthy features, including large variations of ion density and pressure along field lines in the SOL, experimentally relevant levels of SOL parallel ion flow (Mach number  ˜ 0.5), skewed ion distributions near the sheath entrance leading to subsonic flow there, and elevated sheath potentials (Churchill 2016 Nucl. Mater. Energy 1-6). In this paper, we explore in detail the question of pressure balance in the SOL, as it was observed in the simulation that there was a large deviation from a simple total pressure balance (the sum of ion and electron static pressure plus ion inertia). It will be shown that both the contributions from the ion viscosity (driven by ion temperature anisotropy) and neutral source terms can be substantial, and should be retained in the parallel momentum equation in the SOL, but still falls short of accounting for the observed fluid pressure imbalance in the XGCa simulation results.

Matter-neutrino resonance in a multiangle neutrino bulb model

NASA Astrophysics Data System (ADS)

Vlasenko, Alexey; McLaughlin, G. C.

2018-04-01

Simulations of neutrino flavor evolution in compact merger environments have shown that neutrino flavor, and hence nucleosynthesis, can be strongly affected by the presence of matter-neutrino resonances (MNRs), where there is a cancelation between the matter and the neutrino potential. Simulations performed thus far follow flavor evolution along a single neutrino trajectory, but self-consistency requires all trajectories to be treated simultaneously, and it has not been known whether MNR phenomena would still occur in multiangle models. In this paper, we present the first fully multi-angle calculations of MNR. We find that familiar MNR phenomena, where neutrinos transform to a greater extent than anti-neutrinos and a feedback mechanism maintains the cancellation between the matter and neutrino potential, still occurs for a subset of angular bins, although the flavor transformation is not as efficient as in the single-angle case. In addition, we find other types of flavor transformation that are not seen in single-angle simulations. These flavor transformation phenomena appear to be robust and are present for a wide range of model parameters, as long as an MNR is present. Although computational constraints currently limit us to models with spherical symmetry, our results suggest that the presence of an MNR generally leads to large-scale neutrino flavor evolution in multiangle systems.

Simulations of AGN jets: magnetic kink instability versus conical shocks

NASA Astrophysics Data System (ADS)

Barniol Duran, Rodolfo; Tchekhovskoy, Alexander; Giannios, Dimitrios

2017-08-01

Relativistic jets in active galactic nuclei (AGN) convert as much as half of their energy into radiation. To explore the poorly understood processes that are responsible for this conversion, we carry out fully 3D magnetohydrodynamic (MHD) simulations of relativistic magnetized jets. Unlike the standard approach of injecting the jets at large radii, our simulated jets self-consistently form at the source and propagate and accelerate outwards for several orders of magnitude in distance before they interact with the ambient medium. We find that this interaction can trigger strong energy dissipation of two kinds inside the jets, depending on the properties of the ambient medium. Those jets that form in a new outburst and drill a fresh hole through the ambient medium fall victim to a 3D magnetic kink instability and dissipate their energy primarily through magnetic reconnection in the current sheets formed by the instability. On the other hand, those jets that form during repeated cycles of AGN activity and escape through a pre-existing hole in the ambient medium maintain their stability and dissipate their energy primarily at MHD recollimation shocks. In both cases, the dissipation region can be associated with a change in the density profile of the ambient gas. The Bondi radius in AGN jets serves as such a location.

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

Churchill, Randy M.; Canik, John M.; Chang, C. S.

Simulations using the fully kinetic neoclassical code XGCa (X-point included guiding-center axisymmetric) were undertaken to explore the impact of kinetic effects on scrape-off layer (SOL) physics in DIII-D H-mode plasmas. XGCa is a total-f, gyrokinetic code which self-consistently calculates the axisymmetric electrostatic potential and plasma dynamics, and includes modules for Monte Carlo neutral transport. Previously presented XGCa results showed several noteworthy features, including large variations of ion density and pressure along field lines in the SOL, experimentally relevant levels of SOL parallel ion flow (Mach number similar to 0.5), skewed ion distributions near the sheath entrance leading to subsonic flowmore » there, and elevated sheath potentials (Churchill 2016 Nucl. Mater. Energy 1-6). In this paper, we explore in detail the question of pressure balance in the SOL, as it was observed in the simulation that there was a large deviation from a simple total pressure balance (the sum of ion and electron static pressure plus ion inertia). It will be shown that both the contributions from the ion viscosity (driven by ion temperature anisotropy) and neutral source terms can be substantial, and should be retained in the parallel momentum equation in the SOL, but still falls short of accounting for the observed fluid pressure imbalance in the XGCa simulation results.« less

Fast Flows in the Magnetotail and Energetic Particle Transport: Multiscale Coupling in the Magnetosphere

NASA Astrophysics Data System (ADS)

Lin, Y.; Wang, X.; Fok, M. C. H.; Buzulukova, N.; Perez, J. D.; Chen, L. J.

2017-12-01

The interaction between the Earth's inner and outer magnetospheric regions associated with the tail fast flows is calculated by coupling the Auburn 3-D global hybrid simulation code (ANGIE3D) to the Comprehensive Inner Magnetosphere/Ionosphere (CIMI) model. The global hybrid code solves fully kinetic equations governing the ions and a fluid model for electrons in the self-consistent electromagnetic field of the dayside and night side outer magnetosphere. In the integrated computation model, the hybrid simulation provides the CIMI model with field data in the CIMI 3-D domain and particle data at its boundary, and the transport in the inner magnetosphere is calculated by the CIMI model. By joining the two existing codes, effects of the solar wind on particle transport through the outer magnetosphere into the inner magnetosphere are investigated. Our simulation shows that fast flows and flux ropes are localized transients in the magnetotail plasma sheet and their overall structures have a dawn-dusk asymmetry. Strong perpendicular ion heating is found at the fast flow braking, which affects the earthward transport of entropy-depleted bubbles. We report on the impacts from the temperature anisotropy and non-Maxwellian ion distributions associated with the fast flows on the ring current and the convection electric field.

Numerical simulations of thermo-compositional global convection with generation of proto-continental crust

NASA Astrophysics Data System (ADS)

Rozel, A. B.; Golabek, G.; Gerya, T.; Jain, C.; Tackley, P. J.

2017-12-01

We study the creation of primordial continental crust (TTG rocks) employing fully self-consistent numerical models of thermo-chemical convection on a global scale at the Archean. We use realistic rheological parameters [1] in 2D spherical annulus geometry using the convection code StagYY [2] for a one billion years period. Starting from a pyrolytic composition and an initially warm core, our simulations first generate mafic crust and depleted mantle in the upper mantle. The basaltic material can be both erupted (cold) and/or intruded (warm) at the base of the crust following a predefined partitioning. At all times, water concentration is considered fully saturated in the top 10 km of the domain, and it simply advected with the deforming material elsewhere. We track the pressure-temperature conditions of the newly formed hydrated basalt and check if it matches the conditions necessary for the formation of proto-continental crust [3]. We systematically test the influence of volcanism (eruption, also called "heat pipe") and plutonism (intrusive magmatism) on the time-dependent geotherm in the lithosphere. We show that the "heat-pipe" model (assuming 100% eruption) suggested to be the main heat loss mechanism during the Archean epoch [4] is not able to produce continental crust since it forms a too cold lithosphere. We also systematically test various friction coefficients and show that an intrusion fraction higher than 60% (in agreement with [5]) combined with a friction coefficient larger than 0.1 produces the expected amount of the three main petrological TTG compositions previously reported [3]. This result seems robust as the amount of TTG rocks formed vary over orders of magnitude. A large eruption over intrusion ratio can result in up to 100 times less TTG felsic crust production than a case where plutonism dominates. This study represents a major step towards the production of self-consistent convection models able to generate the continental crust of the Earth.[1] Lourenço D. et al. (2016) Earth Plan. Sci. Lett. 438, 18-28. [2] Tackley P.J. (2008) Phys. Earth Plan. Int. 171, 7-18. [3] Moyen J.-F. (2011) Lithos 123, 21-36. [4] Moore, W. and Webb, A. (2013) Nature, 501, 501-505. [5] Crisp, J. A. (1984) Journ. Volc. Geoth. Res., 20, 177-211.

Three dimensional Particle-in-Cell (PIC) simulations of the 67P environment

NASA Astrophysics Data System (ADS)

Divin, Andrey; Deca, Jan; Henri, Pierre; Horanyi, Mihaly; Markidis, Stefano; Lapenta, Giovanni; Olshevsky, Vyacheslav; Eriksson, Anders

2017-04-01

ESA's Rosetta orbiter spacecraft escorted comet 67P/Churyumov-Gerasimenko for two years, carrying 21 scientific instruments. Five of those were dedicated to plasma measurements. The mission revealed for the first time, and in unprecedented detail, the fascinating evolution of a comet and its interaction with our Sun as it races along its 6.45yr elliptical orbit around the Sun. Using a self-consistent 3-D fully kinetic electromagnetic particle-in-cell approach, we focus on the global cometary environment and, in particular, on the collisionless electron-kinetic interaction. We include cometary ions and electrons produced by the ionization of the outgassing cometary atmosphere in addition to the solar wind ion and electron plasma flow. We approximate mass-loading of the cold cometary ion and electron populations using a 1/r relation with distance to the comet with a total neutral production rate of Q = 1026 s-1. Our simulation results disentangle for the first time the kinetic ion and electron dynamics of the solar wind interaction with a weakly outgassing comet. The simulated global structure of the solar wind-comet interaction confirms the results reported in hybrid simulations of the induced cometary magnetosphere. Moreover, we show that cometary and solar wind electrons neutralize the solar wind protons and cometary ions, respectively, in the region of influence around the comet, representing to first order a four-fluid behavior. The electron energy distribution close to the comet is shown to be a mix of cometary and solar wind electrons that appear as, respectively, a thermal and a suprathermal components. Analyzing ion and electron energy distribution functions, and comparing with plasma measurements from ESA's Rosetta mission to comet 67P/Churyumov-Gerasimenko, we conclude that a detailed kinetic treatment of the electron dynamics is critical to fully capture the complex physics of mass-loading plasmas.

Gradient Theory simulations of pure fluid interfaces using a generalized expression for influence parameters and a Helmholtz energy equation of state for fundamentally consistent two-phase calculations

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

Dahms, Rainer N.

2014-12-31

The fidelity of Gradient Theory simulations depends on the accuracy of saturation properties and influence parameters, and require equations of state (EoS) which exhibit a fundamentally consistent behavior in the two-phase regime. Widely applied multi-parameter EoS, however, are generally invalid inside this region. Hence, they may not be fully suitable for application in concert with Gradient Theory despite their ability to accurately predict saturation properties. The commonly assumed temperature-dependence of pure component influence parameters usually restricts their validity to subcritical temperature regimes. This may distort predictions for general multi-component interfaces where temperatures often exceed the critical temperature of vapor phasemore » components. Then, the calculation of influence parameters is not well defined. In this paper, one of the first studies is presented in which Gradient Theory is combined with a next-generation Helmholtz energy EoS which facilitates fundamentally consistent calculations over the entire two-phase regime. Illustrated on pentafluoroethane as an example, reference simulations using this method are performed. They demonstrate the significance of such high-accuracy and fundamentally consistent calculations for the computation of interfacial properties. These reference simulations are compared to corresponding results from cubic PR EoS, widely-applied in combination with Gradient Theory, and mBWR EoS. The analysis reveals that neither of those two methods succeeds to consistently capture the qualitative distribution of obtained key thermodynamic properties in Gradient Theory. Furthermore, a generalized expression of the pure component influence parameter is presented. This development is informed by its fundamental definition based on the direct correlation function of the homogeneous fluid and by presented high-fidelity simulations of interfacial density profiles. As a result, the new model preserves the accuracy of previous temperature-dependent expressions, remains well-defined at supercritical temperatures, and is fully suitable for calculations of general multi-component two-phase interfaces.« less

Self-consistent molecular dynamics formulation for electric-field-mediated electrolyte transport through nanochannels

NASA Astrophysics Data System (ADS)

Raghunathan, A. V.; Aluru, N. R.

2007-07-01

A self-consistent molecular dynamics (SCMD) formulation is presented for electric-field-mediated transport of water and ions through a nanochannel connected to reservoirs or baths. The SCMD formulation is compared with a uniform field MD approach, where the applied electric field is assumed to be uniform, for 2nm and 3.5nm wide nanochannels immersed in a 0.5M KCl solution. Reservoir ionic concentrations are maintained using the dual-control-volume grand canonical molecular dynamics technique. Simulation results with varying channel height indicate that the SCMD approach calculates the electrostatic potential in the simulation domain more accurately compared to the uniform field approach, with the deviation in results increasing with the channel height. The translocation times and ionic fluxes predicted by uniform field MD can be substantially different from those predicted by the SCMD approach. Our results also indicate that during a 2ns simulation time K+ ions can permeate through a 1nm channel when the applied electric field is computed self-consistently, while the permeation is not observed when the electric field is assumed to be uniform.

Modeling of RF/MHD coupling using NIMROD, GENRAY, and the Integrated Plasma Simulator

NASA Astrophysics Data System (ADS)

Jenkins, Thomas; Schnack, D. D.; Sovinec, C. R.; Hegna, C. C.; Callen, J. D.; Ebrahimi, F.; Kruger, S. E.; Carlsson, J.; Held, E. D.; Ji, J.-Y.; Harvey, R. W.; Smirnov, A. P.

2009-05-01

We summarize ongoing theoretical/numerical work relevant to the development of a self--consistent framework for the inclusion of RF effects in fluid simulations; specifically considering resistive tearing mode stabilization in tokamak (DIII--D--like) geometry via ECCD. Relatively simple (though non--self--consistent) models for the RF--induced currents are incorporated into the fluid equations, markedly reducing the width of the nonlinearly saturated magnetic islands generated by tearing modes. We report our progress toward the self--consistent modeling of these RF--induced currents. The initial interfacing of the NIMROD* code with the GENRAY/CQL3D** codes (calculating RF propagation and energy/momentum deposition) via the Integrated Plasma Simulator (IPS) framework*** is explained, equilibration of RF--induced currents over the plasma flux surfaces is investigated, and studies exploring the efficient reduction of saturated island widths through time modulation and spatial localization of the ECCD are presented. *[Sovinec et al., JCP 195, 355 (2004)] **[www.compxco.com] ***[This research and the IPS development are both part of the SWIM project. Funded by U.S. DoE.

UCLA IGPP Space Plasma Simulation Group

NASA Technical Reports Server (NTRS)

1998-01-01

During the past 10 years the UCLA IGPP Space Plasma Simulation Group has pursued its theoretical effort to develop a Mission Oriented Theory (MOT) for the International Solar Terrestrial Physics (ISTP) program. This effort has been based on a combination of approaches: analytical theory, large scale kinetic (LSK) calculations, global magnetohydrodynamic (MHD) simulations and self-consistent plasma kinetic (SCK) simulations. These models have been used to formulate a global interpretation of local measurements made by the ISTP spacecraft. The regions of applications of the MOT cover most of the magnetosphere: the solar wind, the low- and high-latitude magnetospheric boundary, the near-Earth and distant magnetotail, and the auroral region. Most recent investigations include: plasma processes in the electron foreshock, response of the magnetospheric cusp, particle entry in the magnetosphere, sources of observed distribution functions in the magnetotail, transport of oxygen ions, self-consistent evolution of the magnetotail, substorm studies, effects of explosive reconnection, and auroral acceleration simulations.

Self-consistent radiation-based simulation of electric arcs: II. Application to gas circuit breakers

NASA Astrophysics Data System (ADS)

Iordanidis, A. A.; Franck, C. M.

2008-07-01

An accurate and robust method for radiative heat transfer simulation for arc applications was presented in the previous paper (part I). In this paper a self-consistent mathematical model based on computational fluid dynamics and a rigorous radiative heat transfer model is described. The model is applied to simulate switching arcs in high voltage gas circuit breakers. The accuracy of the model is proven by comparison with experimental data for all arc modes. The ablation-controlled arc model is used to simulate high current PTFE arcs burning in cylindrical tubes. Model accuracy for the lower current arcs is evaluated using experimental data on the axially blown SF6 arc in steady state and arc resistance measurements close to current zero. The complete switching process with the arc going through all three phases is also simulated and compared with the experimental data from an industrial circuit breaker switching test.

Integration of RAM-SCB into the Space Weather Modeling Framework

DOE PAGES

Welling, Daniel; Toth, Gabor; Jordanova, Vania Koleva; ...

2018-02-07

We present that numerical simulations of the ring current are a challenging endeavor. They require a large set of inputs, including electric and magnetic fields and plasma sheet fluxes. Because the ring current broadly affects the magnetosphere-ionosphere system, the input set is dependent on the ring current region itself. This makes obtaining a set of inputs that are self-consistent with the ring current difficult. To overcome this challenge, researchers have begun coupling ring current models to global models of the magnetosphere-ionosphere system. This paper describes the coupling between the Ring current Atmosphere interaction Model with Self-Consistent Magnetic field (RAM-SCB) tomore » the models within the Space Weather Modeling Framework. Full details on both previously introduced and new coupling mechanisms are defined. Finally, the impact of self-consistently including the ring current on the magnetosphere-ionosphere system is illustrated via a set of example simulations.« less

Integration of RAM-SCB into the Space Weather Modeling Framework

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

Welling, Daniel; Toth, Gabor; Jordanova, Vania Koleva

We present that numerical simulations of the ring current are a challenging endeavor. They require a large set of inputs, including electric and magnetic fields and plasma sheet fluxes. Because the ring current broadly affects the magnetosphere-ionosphere system, the input set is dependent on the ring current region itself. This makes obtaining a set of inputs that are self-consistent with the ring current difficult. To overcome this challenge, researchers have begun coupling ring current models to global models of the magnetosphere-ionosphere system. This paper describes the coupling between the Ring current Atmosphere interaction Model with Self-Consistent Magnetic field (RAM-SCB) tomore » the models within the Space Weather Modeling Framework. Full details on both previously introduced and new coupling mechanisms are defined. Finally, the impact of self-consistently including the ring current on the magnetosphere-ionosphere system is illustrated via a set of example simulations.« less

Air-fluidized grains as a model system: Self-propelling and jamming

NASA Astrophysics Data System (ADS)

Daniels, Lynn J.

This thesis examines two concepts -- self-propelling and jamming -- that have been employed to unify disparate non-equilibrium systems, in the context of a monolayer of grains fluidized by a temporally and spatially homogeneous upflow of air. The first experiment examines the single particle dynamics of air-fluidized rods. For Brownian rods, equipartition of energy holds and rotational motion sets a timescale after which directional memory is lost. Air-fluidized rods no longer obey equipartion; they self-propel, moving preferentially along their long axis. We show that self-propelling can be treated phenomenologically as an enhanced memory effect causing directional memory to persist for times longer than expected for thermal systems. The second experiment studies dense collections of self-propelling air-fluidized rods. We observe collective propagating modes that give rise to anomalously large fluctuations in the local number density. We quantify these compression waves by calculating the dynamic structure factor and show that the wavespeed is weakly linear with increasing density. It has been suggested that the observed behavior might be explained using the framework put forth by Baskaran et al. [12]. The third experiment seeks to determine whether a force analogous to the critical Casimir force in fluids exists for a large sphere fluidized in the presence of a background of smaller spheres. The behavior of such a large sphere is fully characterized showing that, rather than behaving like a sphere driven by turbulence, the large ball self-propels. We also show that the background is responsible for the purely attractive, intermediate-ranged interaction force between two simultaneously-fluidized large balls. The final experiment seeks to determine what parameters control the diverging relaxation timescale associated with the jamming transition. By tilting our apparatus, we quantify pressure, packing fraction, and temperature simultaneously with dynamics as we approach jamming. We obtain an equation of state that agrees well with simulation and free volume theory. We collapse the relaxation time by defining a time- and energy-scale using pressure, consistent with recent simulation [82]. These experiments are further confirmation of the universality of the concepts of self-propelling and jamming.

Reactive molecular dynamics of network polymers: Generation, characterization and mechanical properties

NASA Astrophysics Data System (ADS)

Shankar, Chandrashekar

The goal of this research was to gain a fundamental understanding of the properties of networks created by the ring opening metathesis polymerization (ROMP) of dicyclopentadiene (DCPD) used in self-healing materials. To this end we used molecular simulation methods to generate realistic structures of DCPD networks, characterize their structures, and determine their mechanical properties. Density functional theory (DFT) calculations, complemented by structural information derived from molecular dynamics simulations were used to reconstruct experimental Raman spectra and differential scanning calorimetry (DSC) data. We performed coarse-grained simulations comparing networks generated via the ROMP reaction process and compared them to those generated via a RANDOM process, which led to the fundamental realization that the polymer topology has a unique influence on the network properties. We carried out fully atomistic simulations of DCPD using a novel algorithm for recreating ROMP reactions of DCPD molecules. Mechanical properties derived from these atomistic networks are in excellent agreement with those obtained from coarse-grained simulations in which interactions between nodes are subject to angular constraints. This comparison provides self-consistent validation of our simulation results and helps to identify the level of detail necessary for the coarse-grained interaction model. Simulations suggest networks can classified into three stages: fluid-like, rubber-like or glass-like delineated by two thresholds in degree of reaction alpha: The onset of finite magnitudes for the Young's modulus, alphaY, and the departure of the Poisson ration from 0.5, alphaP. In each stage the polymer exhibits a different predominant mechanical response to deformation. At low alpha < alphaY it flows. At alpha Y < alpha < alphaP the response is entropic with no change in internal energy. At alpha > alphaP the response is enthalpic change in internal energy. We developed graph theory-based network characterizations to correlate between network topology and the simulated mechanical properties. (1) Eigenvector centrality (2) Graph fractal dimension, (3) Fiedler partitioning, and (4) Cross-link fraction (Q3+Q4). Of these quantities, the Fiedler partition is the best characteristic for the prediction of Young's Modulus. The new computational tools developed in this research are of great fundamental and practical interest.

Fully-coupled aeroelastic simulation with fluid compressibility — For application to vocal fold vibration

PubMed Central

Yang, Jubiao; Wang, Xingshi; Krane, Michael; Zhang, Lucy T.

2017-01-01

In this study, a fully-coupled fluid–structure interaction model is developed for studying dynamic interactions between compressible fluid and aeroelastic structures. The technique is built based on the modified Immersed Finite Element Method (mIFEM), a robust numerical technique to simulate fluid–structure interactions that has capabilities to simulate high Reynolds number flows and handles large density disparities between the fluid and the solid. For accurate assessment of this intricate dynamic process between compressible fluid, such as air and aeroelastic structures, we included in the model the fluid compressibility in an isentropic process and a solid contact model. The accuracy of the compressible fluid solver is verified by examining acoustic wave propagations in a closed and an open duct, respectively. The fully-coupled fluid–structure interaction model is then used to simulate and analyze vocal folds vibrations using compressible air interacting with vocal folds that are represented as layered viscoelastic structures. Using physiological geometric and parametric setup, we are able to obtain a self-sustained vocal fold vibration with a constant inflow pressure. Parametric studies are also performed to study the effects of lung pressure and vocal fold tissue stiffness in vocal folds vibrations. All the case studies produce expected airflow behavior and a sustained vibration, which provide verification and confidence in our future studies of realistic acoustical studies of the phonation process. PMID:29527067

How to model AGN feedback in cosmological simulations?

NASA Astrophysics Data System (ADS)

Sijacki, Debora

2015-08-01

Hydrodynamical cosmological simulations are one of the most powerful tools to study the formation and evolution of galaxies in the fully non-linear regime. Despite several recent successes in simulating Milky Way look-alikes, self-consistent, ab-initio models are still a long way off. In this talk I will review numerical and physical uncertainties plaguing current state-of-the-art cosmological simulations of galaxy formation. I will then discuss which feedback mechanisms are needed to reproduce realistic stellar masses and galaxy morphologies in the present day Universe and argue that the black hole feedback is necessary for the quenching of massive galaxies. I will then demonstrate how black hole - host galaxy scaling relations depend on galaxy morphology and colour, highlighting the implications for the co-evolutionary picture between galaxies and their central black holes. In the second part of the talk I will present a novel method that permits to resolve gas flows around black holes all the way from large cosmological scales to the Bondi radii of black holes themselves. I will demonstrate that with this new numerical technique it is possible to estimate much more accurately gas properties in the vicinity of black holes than has been feasible before in galaxy and cosmological simulations, allowing to track reliably gas angular momentum transport from Mpc to pc scales. Finally, I will also discuss if AGN-driven outflows are more likely to be energy- or momentum-driven and what implications this has for the redshift evolution of black hole - host galaxy scaling relations.

Self-diffusion in compressively strained Ge

NASA Astrophysics Data System (ADS)

Kawamura, Yoko; Uematsu, Masashi; Hoshi, Yusuke; Sawano, Kentarou; Myronov, Maksym; Shiraki, Yasuhiro; Haller, Eugene E.; Itoh, Kohei M.

2011-08-01

Under a compressive biaxial strain of ˜ 0.71%, Ge self-diffusion has been measured using an isotopically controlled Ge single-crystal layer grown on a relaxed Si0.2Ge0.8 virtual substrate. The self-diffusivity is enhanced by the compressive strain and its behavior is fully consistent with a theoretical prediction of a generalized activation volume model of a simple vacancy mediated diffusion, reported by Aziz et al. [Phys. Rev. B 73, 054101 (2006)]. The activation volume of (-0.65±0.21) times the Ge atomic volume quantitatively describes the observed enhancement due to the compressive biaxial strain very well.

Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

PubMed

Ma, Manman; Xu, Zhenli

2014-12-28

Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

Integrating simulated teaching/learning strategies in undergraduate nursing education.

PubMed

Sinclair, Barbara; Ferguson, Karen

2009-01-01

In this article, the results of a mixed-methods study integrating the use of simulations in a nursing theory course in order to assess students' perceptions of self-efficacy for nursing practice are presented. Nursing students in an intervention group were exposed to a combination of lecture and simulation, and then asked to rate their perceptions of self-efficacy, satisfaction and effectiveness of this combined teaching and learning strategy. Based on Bandura's (1977, 1986) theory of self-efficacy, this study provides data to suggest that students' self-confidence for nursing practice may be increased through the use of simulation as a method of teaching and learning. Students also reported higher levels of satisfaction, effectiveness and consistency with their learning style when exposed to the combination of lecture and simulation than the control group, who were exposed to lecture as the only method of teaching and learning.

Prospective post traumatic stress disorder symptom trajectories in active duty and separated military personnel

DTIC Science & Technology

2017-01-30

the proportion of active duty service members receiving VA care was restricted to zero. This model included all the covariates of the fully adjusted...assessed remained consistent across participants and timepoints. VA care was assessed from self -report, but could not be verified with VA medical...utility of a self -report version of PRIME-MD: the PHQ primary care study. JAMA J. Am. Med. Assoc. 282, 1737e1744. Spitzer, R.L., Williams, J.B

Perceptions of self-determination by special education and rehabilitation practitioners based on viewing a self-directed IEP versus an external-directed IEP meeting.

PubMed

Branding, Dave; Bates, Paul; Miner, Craig

2009-01-01

This study investigated perception of self-determination by special education and rehabilitation practitioners following their exposure to a videotaped simulation of a self-directed IEP meeting and an external-directed IEP meeting involving an adolescent with mild mental retardation. Groups of special education practitioners and rehabilitation practitioners did not differ from each other in their perceptions of self-determination before or after viewing either the self-directed or external-directed IEP meeting simulation. However, both groups of respondents had higher perceptions of the self-determination capability of the confederate student when they viewed her in a self-directed meeting. In addition, respondents consistently rated the self-directed meeting simulation as being of higher overall quality than the external-directed meeting. Results are discussed in relation to practitioner recommendations and future research in regard to the development and enabling of self-determination skills involving persons with disabilities.

Global Properties of Fully Convective Accretion Disks from Local Simulations

NASA Astrophysics Data System (ADS)

Bodo, G.; Cattaneo, F.; Mignone, A.; Ponzo, F.; Rossi, P.

2015-08-01

We present an approach to deriving global properties of accretion disks from the knowledge of local solutions derived from numerical simulations based on the shearing box approximation. The approach consists of a two-step procedure. First, a local solution valid for all values of the disk height is constructed by piecing together an interior solution obtained numerically with an analytical exterior radiative solution. The matching is obtained by assuming hydrostatic balance and radiative equilibrium. Although in principle the procedure can be carried out in general, it simplifies considerably when the interior solution is fully convective. In these cases, the construction is analogous to the derivation of the Hayashi tracks for protostars. The second step consists of piecing together the local solutions at different radii to obtain a global solution. Here we use the symmetry of the solutions with respect to the defining dimensionless numbers—in a way similar to the use of homology relations in stellar structure theory—to obtain the scaling properties of the various disk quantities with radius.

Numerical simulation of MPD thruster flows with anomalous transport

NASA Technical Reports Server (NTRS)

Caldo, Giuliano; Choueiri, Edgar Y.; Kelly, Arnold J.; Jahn, Robert G.

1992-01-01

Anomalous transport effects in an Ar self-field coaxial MPD thruster are presently studied by means of a fully 2D two-fluid numerical code; its calculations are extended to a range of typical operating conditions. An effort is made to compare the spatial distribution of the steady state flow and field properties and thruster power-dissipation values for simulation runs with and without anomalous transport. A conductivity law based on the nonlinear saturation of lower hybrid current-driven instability is used for the calculations. Anomalous-transport simulation runs have indicated that the resistivity in specific areas of the discharge is significantly higher than that calculated in classical runs.

On the Role of Global Magnetic Field Configuration in Affecting Ring Current Dynamics

NASA Technical Reports Server (NTRS)

Zheng, Y.; Zaharia, S. G.; Fok, M. H.

2010-01-01

Plasma and field interaction is one important aspect of inner magnetospheric physics. The magnetic field controls particle motion through gradient, curvature drifts and E cross B drift. In this presentation, we show how the global magnetic field affects dynamics of the ring current through simulations of two moderate geomagnetic storms (20 November 2007 and 8-9 March 2008). Preliminary results of coupling the Comprehensive Ring Current Model (CRCM) with a three-dimensional plasma force balance code (to achieve self-consistency in both E and B fields) indicate that inclusion of self-consistency in B tends to mitigate the intensification of the ring current as other similar coupling efforts have shown. In our approach, self-consistency in the electric field is already an existing capability of the CRCM. The magnetic self-consistency is achieved by computing the three-dimensional magnetic field in force balance with anisotropic ring current ion distributions. We discuss the coupling methodology and its further improvement. In addition, comparative studies by using various magnetic field models will be shown. Simulation results will be put into a global context by analyzing the morphology of the ring current, its anisotropy and characteristics ofthe interconnected region 2 field-aligned currents.

Self-assembled three-dimensional and compressible interdigitated thin-film supercapacitors and batteries

PubMed Central

Nyström, Gustav; Marais, Andrew; Karabulut, Erdem; Wågberg, Lars; Cui, Yi; Hamedi, Mahiar M.

2015-01-01

Traditional thin-film energy-storage devices consist of stacked layers of active films on two-dimensional substrates and do not exploit the third dimension. Fully three-dimensional thin-film devices would allow energy storage in bulk materials with arbitrary form factors and with mechanical properties unique to bulk materials such as compressibility. Here we show three-dimensional energy-storage devices based on layer-by-layer self-assembly of interdigitated thin films on the surface of an open-cell aerogel substrate. We demonstrate a reversibly compressible three-dimensional supercapacitor with carbon nanotube electrodes and a three-dimensional hybrid battery with a copper hexacyanoferrate ion intercalating cathode and a carbon nanotube anode. The three-dimensional supercapacitor shows stable operation over 400 cycles with a capacitance of 25 F g−1 and is fully functional even at compressions up to 75%. Our results demonstrate that layer-by-layer self-assembly inside aerogels is a rapid, precise and scalable route for building high-surface-area 3D thin-film devices. PMID:26021485

Career pathfinders: a qualitative study of career development.

PubMed

Beutell, Icholas J; O'Hare, Marianne M

2006-04-01

This paper examined the perceptions of career path and issues of MBA students in response to Lore's The Pathfinder, a comprehensive career-planning model. Using internet discussion boards, an interactive dialogue was mentioned by participants in response to the components of Lore's model. The sample consisted of 50 fully employed MBA students enrolled in a course on self-assessment and career planning. A total of 1,781 separate postings were made and analyzed, using inductive analysis derived from discussion threads based on Lore's categories: comments on Lore's Pathfinder model, living a life you love (what's the holdup, career fantasies, work and family issues, and career selection), how to get there from here (commitment and future from the present), and designing your future career. Findings indicated several interesting trends in the career planning of current MBA students, particularly the importance of self or self-reflective observations in real time as students who are also fully employed formulate career plans. Implications for psychologists and career counselors, career development models, and suggestions for research are presented.

Psychometric testing on the NLN Student Satisfaction and Self-Confidence in Learning, Simulation Design Scale, and Educational Practices Questionnaire using a sample of pre-licensure novice nurses.

PubMed

Franklin, Ashley E; Burns, Paulette; Lee, Christopher S

2014-10-01

In 2006, the National League for Nursing published three measures related to novice nurses' beliefs about self-confidence, scenario design, and educational practices associated with simulation. Despite the extensive use of these measures, little is known about their reliability and validity. The psychometric properties of the Student Satisfaction and Self-Confidence in Learning Scale, Simulation Design Scale, and Educational Practices Questionnaire were studied among a sample of 2200 surveys completed by novice nurses from a liberal arts university in the southern United States. Psychometric tests included item analysis, confirmatory and exploratory factor analyses in randomly-split subsamples, concordant and discordant validity, and internal consistency. All three measures have sufficient reliability and validity to be used in education research. There is room for improvement in content validity with the Student Satisfaction and Self-Confidence in Learning and Simulation Design Scale. This work provides robust evidence to ensure that judgments made about self-confidence after simulation, simulation design and educational practices are valid and reliable. Copyright © 2014 Elsevier Ltd. All rights reserved.

Using Two Different Self-Directed Search (SDS) Interpretive Materials: Implications for Career Assessment

ERIC Educational Resources Information Center

Dozier, V. Casey; Sampson, James P.; Reardon, Robert C.

2013-01-01

John Holland's Self-Directed Search (SDS) is a career assessment that consists of several booklets designed to be self-scored and self-administered. It simulates what a practitioner and an individual might do together in a career counseling session (e.g., review preferred activities and occupations; review competencies, abilities and possible…

Edge gyrokinetic theory and continuum simulations

NASA Astrophysics Data System (ADS)

Xu, X. Q.; Xiong, Z.; Dorr, M. R.; Hittinger, J. A.; Bodi, K.; Candy, J.; Cohen, B. I.; Cohen, R. H.; Colella, P.; Kerbel, G. D.; Krasheninnikov, S.; Nevins, W. M.; Qin, H.; Rognlien, T. D.; Snyder, P. B.; Umansky, M. V.

2007-08-01

The following results are presented from the development and application of TEMPEST, a fully nonlinear (full-f) five-dimensional (3d2v) gyrokinetic continuum edge-plasma code. (1) As a test of the interaction of collisions and parallel streaming, TEMPEST is compared with published analytic and numerical results for endloss of particles confined by combined electrostatic and magnetic wells. Good agreement is found over a wide range of collisionality, confining potential and mirror ratio, and the required velocity space resolution is modest. (2) In a large-aspect-ratio circular geometry, excellent agreement is found for a neoclassical equilibrium with parallel ion flow in the banana regime with zero temperature gradient and radial electric field. (3) The four-dimensional (2d2v) version of the code produces the first self-consistent simulation results of collisionless damping of geodesic acoustic modes and zonal flow (Rosenbluth-Hinton residual) with Boltzmann electrons using a full-f code. The electric field is also found to agree with the standard neoclassical expression for steep density and ion temperature gradients in the plateau regime. In divertor geometry, it is found that the endloss of particles and energy induces parallel flow stronger than the core neoclassical predictions in the SOL.

A structural model for apolipoprotein C-II amyloid fibrils: experimental characterization and molecular dynamics simulations.

PubMed

Teoh, Chai Lean; Pham, Chi L L; Todorova, Nevena; Hung, Andrew; Lincoln, Craig N; Lees, Emma; Lam, Yuen Han; Binger, Katrina J; Thomson, Neil H; Radford, Sheena E; Smith, Trevor A; Müller, Shirley A; Engel, Andreas; Griffin, Michael D W; Yarovsky, Irene; Gooley, Paul R; Howlett, Geoffrey J

2011-02-04

The self-assembly of specific proteins to form insoluble amyloid fibrils is a characteristic feature of a number of age-related and debilitating diseases. Lipid-free human apolipoprotein C-II (apoC-II) forms characteristic amyloid fibrils and is one of several apolipoproteins that accumulate in amyloid deposits located within atherosclerotic plaques. X-ray diffraction analysis of aligned apoC-II fibrils indicated a simple cross-β-structure composed of two parallel β-sheets. Examination of apoC-II fibrils using transmission electron microscopy, scanning transmission electron microscopy, and atomic force microscopy indicated that the fibrils are flat ribbons composed of one apoC-II molecule per 4.7-Å rise of the cross-β-structure. Cross-linking results using single-cysteine substitution mutants are consistent with a parallel in-register structural model for apoC-II fibrils. Fluorescence resonance energy transfer analysis of apoC-II fibrils labeled with specific fluorophores provided distance constraints for selected donor-acceptor pairs located within the fibrils. These findings were used to develop a simple 'letter-G-like' β-strand-loop-β-strand model for apoC-II fibrils. Fully solvated all-atom molecular dynamics (MD) simulations showed that the model contained a stable cross-β-core with a flexible connecting loop devoid of persistent secondary structure. The time course of the MD simulations revealed that charge clusters in the fibril rearrange to minimize the effects of same-charge interactions inherent in parallel in-register models. Our structural model for apoC-II fibrils suggests that apoC-II monomers fold and self-assemble to form a stable cross-β-scaffold containing relatively unstructured connecting loops. Copyright © 2010 Elsevier Ltd. All rights reserved.

Design and Impacts of Land-Biogenic-Atmosphere Coupling in the NASA-Unified WRF (NU-WRF) Modeling System

NASA Technical Reports Server (NTRS)

Tan, Qian; Santanello, Joseph A., Jr.; Zhou, Shujia; Tao, Zhining; Peters-Lidard, Christa d.; Chn, Mian

2011-01-01

Land-Atmosphere coupling is typically designed and implemented independently for physical (e.g. water and energy) and chemical (e.g. biogenic emissions and surface depositions)-based models and applications. Differences in scale, data requirements, and physics thus limit the ability of Earth System models to be fully coupled in a consistent manner. In order for the physical-chemical-biological coupling to be complete, treatment of the land in terms of surface classification, condition, fluxes, and emissions must be considered simultaneously and coherently across all components. In this study, we investigate a coupling strategy for the NASA-Unified Weather Research and Forecasting (NU-WRF) model that incorporates the traditionally disparate fluxes of water and energy through NASA's LIS (Land Information System) and biogenic emissions through BEIS (Biogenic Emissions Inventory System) and MEGAN (Model of Emissions of Gases and Aerosols from Nature) into the atmosphere. In doing so, inconsistencies across model inputs and parameter data are resolved such that the emissions from a particular plant species are consistent with the heat and moisture fluxes calculated for that land cover type. In turn, the response of the atmospheric turbulence and mixing in the planetary boundary layer (PBL) acts on the identical surface type, fluxes, and emissions for each. In addition, the coupling of dust emission within the NU-WRF system is performed in order to ensure consistency and to maximize the benefit of high-resolution land representation in LIS. The impacts of those self-consistent components on' the simulation of atmospheric aerosols are then evaluated through the WRF-Chem-GOCART (Goddard Chemistry Aerosol Radiation and Transport) model. Overall, this ambitious project highlights the current difficulties and future potential of fully coupled. components. in Earth System models, and underscores the importance of the iLEAPS community in supporting improved knowledge of processes and innovative approaches for models and observations.

Self-enhancement among high-exposure survivors of the September 11th terrorist attack: resilience or social maladjustment?

PubMed

Bonanno, George A; Rennicke, Courtney; Dekel, Sharon

2005-06-01

The authors examined self-enhancing bias as a predictor of adjustment among individuals in or near the World Trade Center during the September 11, 2001, terrorist attacks. Resilience was defined from categorical and continuous analyses of both participant self-report and friend and relative ratings of adjustment. Self-enhancement was associated with a resilient outcome, ratings of better adjustment prior to September 11th, greater positive affect, and reduced perceptions of social constraints. Additional analyses indicated that self-enhancers' reduced symptom levels were fully mediated by their low perceived social constraints. However, consistent with previous evidence suggesting a social cost to self-enhancement, at 18 months post-September 11th, self-enhancers' friends and relatives also rated them as decreasing in social adjustment and as being less honest.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

NASA Astrophysics Data System (ADS)

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M. N.; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-01

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Self-Consistent Monte Carlo Study of the Coulomb Interaction under Nano-Scale Device Structures

NASA Astrophysics Data System (ADS)

Sano, Nobuyuki

2011-03-01

It has been pointed that the Coulomb interaction between the electrons is expected to be of crucial importance to predict reliable device characteristics. In particular, the device performance is greatly degraded due to the plasmon excitation represented by dynamical potential fluctuations in high-doped source and drain regions by the channel electrons. We employ the self-consistent 3D Monte Carlo (MC) simulations, which could reproduce both the correct mobility under various electron concentrations and the collective plasma waves, to study the physical impact of dynamical potential fluctuations on device performance under the Double-gate MOSFETs. The average force experienced by an electron due to the Coulomb interaction inside the device is evaluated by performing the self-consistent MC simulations and the fixed-potential MC simulations without the Coulomb interaction. Also, the band-tailing associated with the local potential fluctuations in high-doped source region is quantitatively evaluated and it is found that the band-tailing becomes strongly dependent of position in real space even inside the uniform source region. This work was partially supported by Grants-in-Aid for Scientific Research B (No. 2160160) from the Ministry of Education, Culture, Sports, Science and Technology in Japan.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory.

PubMed

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; Niklasson, Anders M N; Head-Gordon, Teresa; Skylaris, Chris-Kriton

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities are treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes-in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

DOE PAGES

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex; ...

2017-03-28

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory

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

Vitale, Valerio; Dziedzic, Jacek; Albaugh, Alex

Iterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using converged solutions from previous time steps. However, this must be done carefully, as not to break time-reversal symmetry, which negatively impacts energy conservation. Self-consistent schemes based on the extended Lagrangian formalism, where the initial guesses for the optimized quantities aremore » treated as auxiliary degrees of freedom, constitute one elegant solution. We report on the performance of two integration schemes with the same underlying extended Lagrangian structure, which we both employ in two radically distinct regimes—in classical molecular dynamics simulations with the AMOEBA polarizable force field and in BOMD simulations with the Onetep linear-scaling density functional theory (LS-DFT) approach. Furthermore, both integration schemes are found to offer significant improvements over the standard (unpropagated) molecular dynamics formulation in both the classical and LS-DFT regimes.« less

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

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

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

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

A DSMC Study of Low Pressure Argon Discharge

NASA Astrophysics Data System (ADS)

Hash, David; Meyyappan, M.

1997-10-01

Work toward a self-consistent plasma simulation using the DSMC method for examination of the flowfields of low-pressure high density plasma reactors is presented. Presently, DSMC simulations for these applications involve either treating the electrons as a fluid or imposing experimentally determined values for the electron number density profile. In either approach, the electrons themselves are not physically simulated. Self-consistent plasma DSMC simulations have been conducted for aerospace applications but at a severe computational cost due in part to the scalar architectures on which the codes were employed. The present work attempts to conduct such simulations at a more reasonable cost using a plasma version of the object-oriented parallel Cornell DSMC code, MONACO, on an IBM SP-2. Due the availability of experimental data, the GEC reference cell is chosen to conduct preliminary investigations. An argon discharge is examined thus affording a simple chemistry set with eight gas-phase reactions and five species: Ar, Ar^+, Ar^*, Ar_2, and e where Ar^* is a metastable.

Self-consistent one dimension in space and three dimension in velocity kinetic trajectory simulation model of magnetized plasma-wall transition

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

Chalise, Roshan, E-mail: plasma.roshan@gmail.com; Khanal, Raju

2015-11-15

We have developed a self-consistent 1d3v (one dimension in space and three dimension in velocity) Kinetic Trajectory Simulation (KTS) model, which can be used for modeling various situations of interest and yields results of high accuracy. Exact ion trajectories are followed, to calculate along them the ion distribution function, assuming an arbitrary injection ion distribution. The electrons, on the other hand, are assumed to have a cut-off Maxwellian velocity distribution at injection and their density distribution is obtained analytically. Starting from an initial guess, the potential profile is iterated towards the final time-independent self-consistent state. We have used it tomore » study plasma sheath region formed in presence of an oblique magnetic field. Our results agree well with previous works from other models, and hence, we expect our 1d3v KTS model to provide a basis for the studying of all types of magnetized plasmas, yielding more accurate results.« less

A Multirater Instrument for the Assessment of Simulated Pediatric Crises

PubMed Central

Calhoun, Aaron W; Boone, Megan; Miller, Karen H; Taulbee, Rebecca L; Montgomery, Vicki L; Boland, Kimberly

2011-01-01

Background Few validated instruments exist to measure pediatric code team skills. The goal of this study was to develop an instrument for the assessment of resuscitation competency and self-appraisal using multirater and gap analysis methodologies. Methods Multirater assessment with gap analysis is a robust methodology that enables the measurement of self-appraisal as well as competency, offering faculty the ability to provide enhanced feedback. The Team Performance during Simulated Crises Instrument (TPDSCI) was grounded in the Accreditation Council for Graduate Medical Education competencies. The instrument contains 5 competencies, each assessed by a series of descriptive rubrics. It was piloted during a series of simulation-based interdisciplinary pediatric crisis resource management education sessions. Course faculty assessed participants, who also did self-assessments. Internal consistency and interrater reliability were analyzed using Cronbach α and intraclass correlation (ICC) statistics. Gap analysis results were examined descriptively. Results Cronbach α for the instrument was between 0.72 and 0.69. The overall ICC was 0.82. ICC values for the medical knowledge, clinical skills, communication skills, and systems-based practice were between 0.87 and 0.72. The ICC for the professionalism domain was 0.22. Further examination of the professionalism competency revealed a positive skew, 43 simulated sessions (98%) had significant gaps for at least one of the competencies, 38 sessions (86%) had gaps indicating self-overappraisal, and 15 sessions (34%) had gaps indicating self-underappraisal. Conclusions The TPDSCI possesses good measures of internal consistency and interrater reliability with respect to medical knowledge, clinical skills, communication skills, systems-based practice, and overall competence in the context of simulated interdisciplinary pediatric medical crises. Professionalism remains difficult to assess. These results provide an encouraging first step toward instrument validation. Gap analysis reveals disparities between faculty and self-assessments that indicate inadequate participant self-reflection. Identifying self-overappraisal can facilitate focused interventions. PMID:22379528

Turbulent transport coefficients in spherical wedge dynamo simulations of solar-like stars

NASA Astrophysics Data System (ADS)

Warnecke, J.; Rheinhardt, M.; Tuomisto, S.; Käpylä, P. J.; Käpylä, M. J.; Brandenburg, A.

2018-01-01

Aims: We investigate dynamo action in global compressible solar-like convective dynamos in the framework of mean-field theory. Methods: We simulate a solar-type star in a wedge-shaped spherical shell, where the interplay between convection and rotation self-consistently drives a large-scale dynamo. To analyze the dynamo mechanism we apply the test-field method for azimuthally (φ) averaged fields to determine the 27 turbulent transport coefficients of the electromotive force, of which six are related to the α tensor. This method has previously been used either in simulations in Cartesian coordinates or in the geodynamo context and is applied here for the first time to fully compressible simulations of solar-like dynamos. Results: We find that the φφ-component of the α tensor does not follow the profile expected from that of kinetic helicity. The turbulent pumping velocities significantly alter the effective mean flows acting on the magnetic field and therefore challenge the flux transport dynamo concept. All coefficients are significantly affected by dynamically important magnetic fields. Quenching as well as enhancement are being observed. This leads to a modulation of the coefficients with the activity cycle. The temporal variations are found to be comparable to the time-averaged values and seem to be responsible for a nonlinear feedback on the magnetic field generation. Furthermore, we quantify the validity of the Parker-Yoshimura rule for the equatorward propagation of the mean magnetic field in the present case.

Structural, vibrational, and quasiparticle properties of the Peierls semiconductor BaBiO3 : A hybrid functional and self-consistent GW+vertex-corrections study

NASA Astrophysics Data System (ADS)

Franchini, C.; Sanna, A.; Marsman, M.; Kresse, G.

2010-02-01

BaBiO3 is characterized by a charge disproportionation with half of the Bi atoms possessing a valence 3+ and half a valence 5+ . Because of self-interaction errors, local- and semilocal-density functionals fail to describe the charge disproportionation quantitatively, yielding a too small structural distortion and no band gap. Using hybrid functionals, we obtain a satisfactory description of the structural, electronic, optical, and vibrational properties of BaBiO3 . The results obtained using GW (Green’s function G and screened Coulomb potential W) based schemes on top of hybrid functionals, including fully self-consistent GW calculations with vertex corrections in the dielectric screening, qualitatively confirm the Heyd-Scuseria-Ernzerhof picture but a systematic overestimation of the band gap by about 0.4 eV is observed.

Simulation of bio-locomotion by a momentum redistribution technique for self-propulsion

NASA Astrophysics Data System (ADS)

Curet, Oscar; Shirgaonkar, Anup; Patankar, Neelesh; Maciver, Malcolm

2007-11-01

We have developed a general purpose computational approach for self-propulsion based on a momentum redistribution concept. In this poster, our primary goal is to show that the technique can simulate swimming of various organisms without using reduced order models for fluid dynamics. The approach fully resolves the motion of the organism and the surrounding fluid. Thus, it is an effective tool to obtain forces, flow fields, as well as the swimming velocity when the deformation kinematics of the organism are available from observational data. We will present images of computational flow fields for several examples including the aquatic locomotion of sperm, jellyfish, eel, and blackghost knifefish. These examples span a range of body configurations, swimming gaits, and Reynolds numbers in their natural environments. Peculiarities of various modes of swimming will be highlighted.

Comparisons of angularly and spectrally resolved Bremsstrahlung measurements to two-dimensional multi-stage simulations of short-pulse laser-plasma interactions

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

Chen, C. D.; Kemp, A. J.; Pérez, F.

2013-05-15

A 2-D multi-stage simulation model incorporating realistic laser conditions and a fully resolved electron distribution handoff has been developed and compared to angularly and spectrally resolved Bremsstrahlung measurements from high-Z planar targets. For near-normal incidence and 0.5-1 × 10{sup 20} W/cm{sup 2} intensity, particle-in-cell (PIC) simulations predict the existence of a high energy electron component consistently directed away from the laser axis, in contrast with previous expectations for oblique irradiation. Measurements of the angular distribution are consistent with a high energy component when directed along the PIC predicted direction, as opposed to between the target normal and laser axis asmore » previously measured.« less

Total fluid pressure imbalance in the scrape-off layer of tokamak plasmas

DOE PAGES

Churchill, Randy M.; Canik, John M.; Chang, C. S.; ...

2017-03-10

Simulations using the fully kinetic neoclassical code XGCa (X-point included guiding-center axisymmetric) were undertaken to explore the impact of kinetic effects on scrape-off layer (SOL) physics in DIII-D H-mode plasmas. XGCa is a total-f, gyrokinetic code which self-consistently calculates the axisymmetric electrostatic potential and plasma dynamics, and includes modules for Monte Carlo neutral transport. Previously presented XGCa results showed several noteworthy features, including large variations of ion density and pressure along field lines in the SOL, experimentally relevant levels of SOL parallel ion flow (Mach number similar to 0.5), skewed ion distributions near the sheath entrance leading to subsonic flowmore » there, and elevated sheath potentials (Churchill 2016 Nucl. Mater. Energy 1-6). In this paper, we explore in detail the question of pressure balance in the SOL, as it was observed in the simulation that there was a large deviation from a simple total pressure balance (the sum of ion and electron static pressure plus ion inertia). It will be shown that both the contributions from the ion viscosity (driven by ion temperature anisotropy) and neutral source terms can be substantial, and should be retained in the parallel momentum equation in the SOL, but still falls short of accounting for the observed fluid pressure imbalance in the XGCa simulation results.« less

Continuum Edge Gyrokinetic Theory and Simulations

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

Xu, X Q; Xiong, Z; Dorr, M R

The following results are presented from the development and application of TEMPEST, a fully nonlinear (full-f) five dimensional (3d2v) gyrokinetic continuum edge-plasma code. (1) As a test of the interaction of collisions and parallel streaming, TEMPEST is compared with published analytic and numerical results for endloss of particles confined by combined electrostatic and magnetic wells. Good agreement is found over a wide range of collisionality, confining potential, and mirror ratio; and the required velocity space resolution is modest. (2) In a large-aspect-ratio circular geometry, excellent agreement is found for a neoclassical equilibrium with parallel ion flow in the banana regimemore » with zero temperature gradient and radial electric field. (3) The four-dimensional (2d2v) version of the code produces the first self-consistent simulation results of collisionless damping of geodesic acoustic modes and zonal flow (Rosenbluth-Hinton residual) with Boltzmann electrons using a full-f code. The electric field is also found to agree with the standard neoclassical expression for steep density and ion temperature gradients in the banana regime. In divertor geometry, it is found that the endloss of particles and energy induces parallel flow stronger than the core neoclassical predictions in the SOL. (5) Our 5D gyrokinetic formulation yields a set of nonlinear electrostatic gyrokinetic equations that are for both neoclassical and turbulence simulations.« less

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

Yadav, Rakesh K.; Poppenhaeger, Katja; Wolk, Scott J.

Despite the lack of a shear-rich tachocline region, low-mass fully convective (FC) stars are capable of generating strong magnetic fields, indicating that a dynamo mechanism fundamentally different from the solar dynamo is at work in these objects. We present a self-consistent three-dimensional model of magnetic field generation in low-mass FC stars. The model utilizes the anelastic magnetohydrodynamic equations to simulate compressible convection in a rotating sphere. A distributed dynamo working in the model spontaneously produces a dipole-dominated surface magnetic field of the observed strength. The interaction of this field with the turbulent convection in outer layers shreds it, producing small-scalemore » fields that carry most of the magnetic flux. The Zeeman–Doppler-Imaging technique applied to synthetic spectropolarimetric data based on our model recovers most of the large-scale field. Our model simultaneously reproduces the morphology and magnitude of the large-scale field as well as the magnitude of the small-scale field observed on low-mass FC stars.« less

Two dimensional model for coherent synchrotron radiation

NASA Astrophysics Data System (ADS)

Huang, Chengkun; Kwan, Thomas J. T.; Carlsten, Bruce E.

2013-01-01

Understanding coherent synchrotron radiation (CSR) effects in a bunch compressor requires an accurate model accounting for the realistic beam shape and parameters. We extend the well-known 1D CSR analytic model into two dimensions and develop a simple numerical model based on the Liénard-Wiechert formula for the CSR field of a coasting beam. This CSR numerical model includes the 2D spatial dependence of the field in the bending plane and is accurate for arbitrary beam energy. It also removes the singularity in the space charge field calculation present in a 1D model. Good agreement is obtained with 1D CSR analytic result for free electron laser (FEL) related beam parameters but it can also give a more accurate result for low-energy/large spot size beams and off-axis/transient fields. This 2D CSR model can be used for understanding the limitation of various 1D models and for benchmarking fully electromagnetic multidimensional particle-in-cell simulations for self-consistent CSR modeling.

Self-Synchronization of Numerical Granular Flows: A Key to Musical Sands?

NASA Astrophysics Data System (ADS)

Staron, L.

2011-12-01

In some rare circumstances, sand flows at the surface of dunes are able to produce a loud sound known as "the song of dunes". The complex mechanisms at the source of these singing properties are far from fully understood. In this study, granular flows are simulated in two dimensions using the discrete Contact Dynamics algorithm. We show that the motion of grains at the surface of the flows exhibits a well-defined oscillation, the frequency of which is not described by the natural frequencies of the system, and does not depend on the rigid or erodible bottom condition. To explain this oscillation, we propose a simple synchronization model based on the existence of coherent structures, or clusters, at the surface of the flow, which yields successful prediction of the numerically observed frequencies. Our analysis gives consistent results when compared with field data from booming dunes, offers a possible explanation for the field observation of sound-generation velocity threshold, and provides new keys to the understanding of musical sands.

Self-consistent simulation of an electron beam for a new autoresonant x-ray generator based on TE 102 rectangular mode

NASA Astrophysics Data System (ADS)

Dugar-Zhabon, V. D.; Orozco, E. A.; Herrera, A. M.

2016-02-01

The space cyclotron autoresonance interaction of an electron beam with microwaves of TE 102 rectangular mode is simulated. It is shown that in these conditions the beam electrons can achieve energies which are sufficient to generate hard x-rays. The physical model consists of a rectangular cavity fed by a magnetron oscillator through a waveguide with a ferrite isolator, an iris window and a system of dc current coils which generates an axially symmetric magnetic field. The 3D magnetic field profile is that which maintains the electron beam in the space autoresonance regime. To simulate the beam dynamics, a full self-consistent electromagnetic particle-in-cell code is developed. It is shown that the injected 12keV electron beam of 0.5A current is accelerated to energy of 225keV at a distance of an order of 17cm by 2.45GHz standing microwave field with amplitude of 14kV/cm.

Multiple imputation for handling missing outcome data when estimating the relative risk.

PubMed

Sullivan, Thomas R; Lee, Katherine J; Ryan, Philip; Salter, Amy B

2017-09-06

Multiple imputation is a popular approach to handling missing data in medical research, yet little is known about its applicability for estimating the relative risk. Standard methods for imputing incomplete binary outcomes involve logistic regression or an assumption of multivariate normality, whereas relative risks are typically estimated using log binomial models. It is unclear whether misspecification of the imputation model in this setting could lead to biased parameter estimates. Using simulated data, we evaluated the performance of multiple imputation for handling missing data prior to estimating adjusted relative risks from a correctly specified multivariable log binomial model. We considered an arbitrary pattern of missing data in both outcome and exposure variables, with missing data induced under missing at random mechanisms. Focusing on standard model-based methods of multiple imputation, missing data were imputed using multivariate normal imputation or fully conditional specification with a logistic imputation model for the outcome. Multivariate normal imputation performed poorly in the simulation study, consistently producing estimates of the relative risk that were biased towards the null. Despite outperforming multivariate normal imputation, fully conditional specification also produced somewhat biased estimates, with greater bias observed for higher outcome prevalences and larger relative risks. Deleting imputed outcomes from analysis datasets did not improve the performance of fully conditional specification. Both multivariate normal imputation and fully conditional specification produced biased estimates of the relative risk, presumably since both use a misspecified imputation model. Based on simulation results, we recommend researchers use fully conditional specification rather than multivariate normal imputation and retain imputed outcomes in the analysis when estimating relative risks. However fully conditional specification is not without its shortcomings, and so further research is needed to identify optimal approaches for relative risk estimation within the multiple imputation framework.

The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations.

PubMed

Grzetic, Douglas J; Delaney, Kris T; Fredrickson, Glenn H

2018-05-28

We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ̃) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor Sk and the dielectric function ϵ^(k) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters B AA , B AB , and B BB , which then determine χ̃. The one-loop theory not only enables the quantitative prediction of χ̃ but also provides useful insight into the dependence of χ̃ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ϵ^(k) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ̃N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

Applicability of mode-coupling theory to polyisobutylene: a molecular dynamics simulation study.

PubMed

Khairy, Y; Alvarez, F; Arbe, A; Colmenero, J

2013-10-01

The applicability of Mode Coupling Theory (MCT) to the glass-forming polymer polyisobutylene (PIB) has been explored by using fully atomistic molecular dynamics simulations. MCT predictions for the so-called asymptotic regime have been successfully tested on the dynamic structure factor and the self-correlation function of PIB main-chain carbons calculated from the simulated cell. The factorization theorem and the time-temperature superposition principle are satisfied. A consistent fitting procedure of the simulation data to the MCT asymptotic power-laws predicted for the α-relaxation regime has delivered the dynamic exponents of the theory-in particular, the exponent parameter λ-the critical non-ergodicity parameters, and the critical temperature T(c). The obtained values of λ and T(c) agree, within the uncertainties involved in both studies, with those deduced from depolarized light scattering experiments [A. Kisliuk et al., J. Polym. Sci. Part B: Polym. Phys. 38, 2785 (2000)]. Both, λ and T(c)/T(g) values found for PIB are unusually large with respect to those commonly obtained in low molecular weight systems. Moreover, the high T(c)/T(g) value is compatible with a certain correlation of this parameter with the fragility in Angell's classification. Conversely, the value of λ is close to that reported for real polymers, simulated "realistic" polymers and simple polymer models with intramolecular barriers. In the framework of the MCT, such finding should be the signature of two different mechanisms for the glass-transition in real polymers: intermolecular packing and intramolecular barriers combined with chain connectivity.

Rolling into spatial disorientation: simulator demonstration of the post-roll (Gillingham) illusion.

PubMed

Nooij, Suzanne A E; Groen, Eric L

2011-05-01

Spatial disorientation (SD) is still a contributing factor in many aviation accidents, stressing the need for adequate SD training scenarios. In this article we focused on the post-roll effect (the sensation of rolling back after a roll maneuver, such as an entry of a coordinated turn) and investigated the effect of roll stimuli on the pilot's ability to stabilize their roll attitude. This resulted in a ground-based demonstration scenario for pilots. The experiments took place in the advanced 6-DOF Desdemona motion simulator, with the subject in a supine position. Roll motions were either fully automated with the subjects blindfolded (BLIND), automated with the subject viewing the cockpit interior (COCKPIT), or self-controlled (LEAD). After the roll stimulus subjects had to cancel all perceived simulator motion without any visual feedback. Both the roll velocity and duration were varied. In 68% of all trials subjects corrected for the perceived motion of rolling back by initiating a roll motion in the same direction as the preceeding roll. The effect was dependent on both rate and duration, in a manner consistent with semicircular canal dynamics. The effect was smallest in the BLIND scenario, but differences between simulation scenarios were non-significant. The results show that the effects of the post-roll illusion on aircraft control can be demonstrated adequately in a flight simulator using an attitude control task. The effect is present even after short roll movements, occurring frequently in flight. Therefore this demonstration is relevant for spatial disorientation training programs for pilots.

Description and Preliminary Evaluation of a Diabetes Technology Simulation Course

PubMed Central

Wilson, Rebecca D.; Bailey, Marilyn; Boyle, Mary E.; Seifert, Karen M.; Cortez, Karla Y.; Baker, Leslie J.; Hovan, Michael J.; Stepanek, Jan; Cook, Curtiss B.

2013-01-01

Background We aim to provide data on a diabetes technology simulation course (DTSC) that instructs internal medicine residents in the use of continuous subcutaneous insulin infusion (CSII) and continuous glucose monitoring system (CGMS) devices. Methods The DTSC was implemented during calendar year 2012 and conducted in the institution’s simulation center. It consisted of a set of prerequisites, a practicum, and completion of a web-based inpatient CSII-ordering simulation. DTSC participants included only those residents in the outpatient endocrinology rotation. Questionnaires were used to determine whether course objectives were met and to assess the satisfaction of residents with the course. Questionnaires were also administered before and after the endocrine rotation to gauge improvement in familiarity with CSII and CGMS technologies. Results During the first year, 12 of 12 residents in the outpatient endocrinology rotation completed the DTSC. Residents reported that the course objectives were fully met. The mean satisfaction score with the course ranged from 4.0 to 4.9 (maximum, 5), with most variables rated above 4.5. Self-reported familiarity with the operation of CSII and CGMS devices increased significantly in the postrotation survey compared with that on the prerotation survey (both p < .01). Conclusions In this pilot program, simulation-based education increased the perceived familiarity of residents with CSII and CGMS technologies. In light of these preliminary findings, the course will continue to be offered, with further data accrual. Future work will involve piloting the DTSC approach among other types of providers, such as residents in other specialties or inpatient nursing staff. PMID:24351182

The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations

NASA Astrophysics Data System (ADS)

Grzetic, Douglas J.; Delaney, Kris T.; Fredrickson, Glenn H.

2018-05-01

We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ ˜ ) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor S (k ) and the dielectric function ɛ ^ (k ) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters BAA, BAB, and BBB, which then determine χ ˜ . The one-loop theory not only enables the quantitative prediction of χ ˜ but also provides useful insight into the dependence of χ ˜ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ɛ ^ (k ) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ ˜ N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

Quiet Ego, Self-Regulatory Skills, and Perceived Stress in College Students.

PubMed

Wayment, Heidi A; Cavolo, Keragan

2018-04-13

Examine the unique contributions of self-control and grit subscales (perseverance, interest consistency) as potential mediators of the relationship between quiet ego characteristics and less perceived stress in college students. Data from 1117 college students were collected between October, 2015 and May, 2016. The sample was split randomly into exploratory and confirmatory samples. Multiple mediator models were tested with PROCESS module (SPSS v. 24) in both samples. Hypotheses were largely confirmed with self-control fully mediating the link between quiet ego and perceived stress in both samples. Although many self-regulatory constructs may argue for their positive impact on college student outcomes, interventions that strengthen self-control, and not grit, may be most promising to reduce perceived stress. Further, interventions to strengthen quiet ego characteristics may be beneficial for strengthening self-control in college students.

Trauma-related self-defining memories and future goals in Dissociative Identity Disorder.

PubMed

Huntjens, Rafaële J C; Wessel, Ineke; Ostafin, Brian D; Boelen, Paul A; Behrens, Friederike; van Minnen, Agnes

2016-12-01

This study examined the content of self-defining autobiographical memories in different identities in patients with Dissociative Identity Disorder (DID) and comparison groups of patients with PTSD, healthy controls, and DID simulators. Consistent with the DID trauma model, analyses of objective ratings showed that DID patients in trauma identities retrieved more negative and trauma-related self-defining memories than DID patients in avoidant identities. Inconsistent with the DID trauma model, DID patients' self-rated trauma-relatedness of self-defining memories and future life goals did not differ between trauma identities and trauma avoidant identities. That is, the DID patients did not seem to be "shut off" from their trauma while in their avoidant identity. Furthermore, DID patients in both identities reported a higher proportion of avoidance goals compared to PTSD patients, with the latter group scoring comparably to healthy controls. The simulators behaved according to the instructions to respond differently in each identity (i.e., to report memories and goals consistent with the identity tested). The discrepant task behavior by DID patients and simulators indicated that DID patients did not seem to intentionally produce the hypothesized differences in performance between identities. In conclusion, for patients with DID (i.e., in both identities) and patients with PTSD, trauma played a central role in the retrieval of self-defining memories and in the formulation of life goals. Copyright © 2016 Elsevier Ltd. All rights reserved.

An Integrated Modeling Suite for Simulating the Core Induction and Kinetic Effects in Mercury's Magnetosphere

NASA Astrophysics Data System (ADS)

Jia, X.; Slavin, J.; Chen, Y.; Poh, G.; Toth, G.; Gombosi, T.

2018-05-01

We present results from state-of-the-art global models of Mercury's space environment capable of self-consistently simulating the induction effect at the core and resolving kinetic physics important for magnetic reconnection.

Motivational Regulatory Styles of Graduate Students Enrolled in Online Prescribed and Elective Courses

ERIC Educational Resources Information Center

Wasmanski, Stephanie Lynn

2018-01-01

The purpose of this study was to explore the regulatory styles, as identified in Ryan and Deci's Self-Determination Theory, of graduate students enrolled in prescribed and elective courses, in a fully online Master of Education degree program. A sample consisting of 53 participants, enrolled in a master's degree program in education at a state…

Bose condensation of nuclei in heavy ion collisions

NASA Technical Reports Server (NTRS)

Tripathi, Ram K.; Townsend, Lawrence W.

1994-01-01

Using a fully self-consistent quantum statistical model, we demonstrate the possibility of Bose condensation of nuclei in heavy ion collisions. The most favorable conditions of high densities and low temperatures are usually associated with astrophysical processes and may be difficult to achieve in heavy ion collisions. Nonetheless, some suggestions for the possible experimental verification of the existence of this phenomenon are made.

A Galilean Invariant Explicit Algebraic Reynolds Stress Model for Curved Flows

NASA Technical Reports Server (NTRS)

Girimaji, Sharath

1996-01-01

A Galilean invariant weak-equilbrium hypothesis that is sensitive to streamline curvature is proposed. The hypothesis leads to an algebraic Reynolds stress model for curved flows that is fully explicit and self-consistent. The model is tested in curved homogeneous shear flow: the agreement is excellent with Reynolds stress closure model and adequate with available experimental data.

Fully coupled simulation of cosmic reionization. I. numerical methods and tests

DOE PAGES

Norman, Michael L.; Reynolds, Daniel R.; So, Geoffrey C.; ...

2015-01-09

Here, we describe an extension of the Enzo code to enable fully coupled radiation hydrodynamical simulation of inhomogeneous reionization in large similar to(100 Mpc)(3) cosmological volumes with thousands to millions of point sources. We solve all dynamical, radiative transfer, thermal, and ionization processes self-consistently on the same mesh, as opposed to a postprocessing approach which coarse-grains the radiative transfer. But, we employ a simple subgrid model for star formation which we calibrate to observations. The numerical method presented is a modification of an earlier method presented in Reynolds et al. differing principally in the operator splitting algorithm we use tomore » advance the system of equations. Radiation transport is done in the gray flux-limited diffusion (FLD) approximation, which is solved by implicit time integration split off from the gas energy and ionization equations, which are solved separately. This results in a faster and more robust scheme for cosmological applications compared to the earlier method. The FLD equation is solved using the hypre optimally scalable geometric multigrid solver from LLNL. By treating the ionizing radiation as a grid field as opposed to rays, our method is scalable with respect to the number of ionizing sources, limited only by the parallel scaling properties of the radiation solver. We test the speed and accuracy of our approach on a number of standard verification and validation tests. We show by direct comparison with Enzo's adaptive ray tracing method Moray that the well-known inability of FLD to cast a shadow behind opaque clouds has a minor effect on the evolution of ionized volume and mass fractions in a reionization simulation validation test. Finally, we illustrate an application of our method to the problem of inhomogeneous reionization in a 80 Mpc comoving box resolved with 3200(3) Eulerian grid cells and dark matter particles.« less

Validation of the Fully-Coupled Air-Sea-Wave COAMPS System

NASA Astrophysics Data System (ADS)

Smith, T.; Campbell, T. J.; Chen, S.; Gabersek, S.; Tsu, J.; Allard, R. A.

2017-12-01

A fully-coupled, air-sea-wave numerical model, COAMPS®, has been developed by the Naval Research Laboratory to further enhance understanding of oceanic, atmospheric, and wave interactions. The fully-coupled air-sea-wave system consists of an atmospheric component with full physics parameterizations, an ocean model, NCOM (Navy Coastal Ocean Model), and two wave components, SWAN (Simulating Waves Nearshore) and WaveWatch III. Air-sea interactions between the atmosphere and ocean components are accomplished through bulk flux formulations of wind stress and sensible and latent heat fluxes. Wave interactions with the ocean include the Stokes' drift, surface radiation stresses, and enhancement of the bottom drag coefficient in shallow water due to the wave orbital velocities at the bottom. In addition, NCOM surface currents are provided to SWAN and WaveWatch III to simulate wave-current interaction. The fully-coupled COAMPS system was executed for several regions at both regional and coastal scales for the entire year of 2015, including the U.S. East Coast, Western Pacific, and Hawaii. Validation of COAMPS® includes observational data comparisons and evaluating operational performance on the High Performance Computing (HPC) system for each of these regions.

GLOBAL PROPERTIES OF FULLY CONVECTIVE ACCRETION DISKS FROM LOCAL SIMULATIONS

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

Bodo, G.; Ponzo, F.; Rossi, P.

2015-08-01

We present an approach to deriving global properties of accretion disks from the knowledge of local solutions derived from numerical simulations based on the shearing box approximation. The approach consists of a two-step procedure. First, a local solution valid for all values of the disk height is constructed by piecing together an interior solution obtained numerically with an analytical exterior radiative solution. The matching is obtained by assuming hydrostatic balance and radiative equilibrium. Although in principle the procedure can be carried out in general, it simplifies considerably when the interior solution is fully convective. In these cases, the construction ismore » analogous to the derivation of the Hayashi tracks for protostars. The second step consists of piecing together the local solutions at different radii to obtain a global solution. Here we use the symmetry of the solutions with respect to the defining dimensionless numbers—in a way similar to the use of homology relations in stellar structure theory—to obtain the scaling properties of the various disk quantities with radius.« less

CMacIonize: Monte Carlo photoionisation and moving-mesh radiation hydrodynamics

NASA Astrophysics Data System (ADS)

Vandenbroucke, Bert; Wood, Kenneth

2018-02-01

CMacIonize simulates the self-consistent evolution of HII regions surrounding young O and B stars, or other sources of ionizing radiation. The code combines a Monte Carlo photoionization algorithm that uses a complex mix of hydrogen, helium and several coolants in order to self-consistently solve for the ionization and temperature balance at any given time, with a standard first order hydrodynamics scheme. The code can be run as a post-processing tool to get the line emission from an existing simulation snapshot, but can also be used to run full radiation hydrodynamical simulations. Both the radiation transfer and the hydrodynamics are implemented in a general way that is independent of the grid structure that is used to discretize the system, allowing it to be run both as a standard fixed grid code and also as a moving-mesh code.

wFReDoW: A Cloud-Based Web Environment to Handle Molecular Docking Simulations of a Fully Flexible Receptor Model

PubMed Central

De Paris, Renata; Frantz, Fábio A.; Norberto de Souza, Osmar; Ruiz, Duncan D. A.

2013-01-01

Molecular docking simulations of fully flexible protein receptor (FFR) models are coming of age. In our studies, an FFR model is represented by a series of different conformations derived from a molecular dynamic simulation trajectory of the receptor. For each conformation in the FFR model, a docking simulation is executed and analyzed. An important challenge is to perform virtual screening of millions of ligands using an FFR model in a sequential mode since it can become computationally very demanding. In this paper, we propose a cloud-based web environment, called web Flexible Receptor Docking Workflow (wFReDoW), which reduces the CPU time in the molecular docking simulations of FFR models to small molecules. It is based on the new workflow data pattern called self-adaptive multiple instances (P-SaMIs) and on a middleware built on Amazon EC2 instances. P-SaMI reduces the number of molecular docking simulations while the middleware speeds up the docking experiments using a High Performance Computing (HPC) environment on the cloud. The experimental results show a reduction in the total elapsed time of docking experiments and the quality of the new reduced receptor models produced by discarding the nonpromising conformations from an FFR model ruled by the P-SaMI data pattern. PMID:23691504

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids.

PubMed

Aradi, Bálint; Niklasson, Anders M N; Frauenheim, Thomas

2015-07-14

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born-Oppenheimer molecular dynamics. For systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can be applied to a broad range of problems in materials science, chemistry, and biology.

Space Shuttle Orbital Drag Parachute Design

NASA Technical Reports Server (NTRS)

Meyerson, Robert E.

2001-01-01

The drag parachute system was added to the Space Shuttle Orbiter's landing deceleration subsystem beginning with flight STS-49 in May 1992. The addition of this subsystem to an existing space vehicle required a detailed set of ground tests and analyses. The aerodynamic design and performance testing of the system consisted of wind tunnel tests, numerical simulations, pilot-in-the-loop simulations, and full-scale testing. This analysis and design resulted in a fully qualified system that is deployed on every flight of the Space Shuttle.

Molecular structure of the lecithin ripple phase

NASA Astrophysics Data System (ADS)

de Vries, Alex H.; Yefimov, Serge; Mark, Alan E.; Marrink, Siewert J.

2005-04-01

Molecular dynamics simulations of lecithin lipid bilayers in water as they are cooled from the liquid crystalline phase show the spontaneous formation of rippled bilayers. The ripple consists of two domains of different length and orientation, connected by a kink. The organization of the lipids in one domain of the ripple is found to be that of a splayed gel; in the other domain the lipids are gel-like and fully interdigitated. In the concave part of the kink region between the domains the lipids are disordered. The results are consistent with the experimental information available and provide an atomic-level model that may be tested by further experiments. molecular dynamics simulation | structural model

Preliminary assessment of faculty and student perception of a haptic virtual reality simulator for training dental manual dexterity.

PubMed

Gal, Gilad Ben; Weiss, Ervin I; Gafni, Naomi; Ziv, Amitai

2011-04-01

Virtual reality force feedback simulators provide a haptic (sense of touch) feedback through the device being held by the user. The simulator's goal is to provide a learning experience resembling reality. A newly developed haptic simulator (IDEA Dental, Las Vegas, NV, USA) was assessed in this study. Our objectives were to assess the simulator's ability to serve as a tool for dental instruction, self-practice, and student evaluation, as well as to evaluate the sensation it provides. A total of thirty-three evaluators were divided into two groups. The first group consisted of twenty-one experienced dental educators; the second consisted of twelve fifth-year dental students. Each participant performed drilling tasks using the simulator and filled out a questionnaire regarding the simulator and potential ways of using it in dental education. The results show that experienced dental faculty members as well as advanced dental students found that the simulator could provide significant potential benefits in the teaching and self-learning of manual dental skills. Development of the simulator's tactile sensation is needed to attune it to genuine sensation. Further studies relating to aspects of the simulator's structure and its predictive validity, its scoring system, and the nature of the performed tasks should be conducted.

Nature of self-diffusion in two-dimensional fluids

NASA Astrophysics Data System (ADS)

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho; Talkner, Peter; Kidera, Akinori; Lee, Eok Kyun

2017-12-01

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. We numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(t\\sqrt{{ln}t}), however with a rescaled time.

Non-inductive current generation in fusion plasmas with turbulence

NASA Astrophysics Data System (ADS)

Wang, Weixing; Ethier, S.; Startsev, E.; Chen, J.; Hahm, T. S.; Yoo, M. G.

2017-10-01

It is found that plasma turbulence may strongly influence non-inductive current generation. This may have radical impact on various aspects of tokamak physics. Our simulation study employs a global gyrokinetic model coupling self-consistent neoclassical and turbulent dynamics with focus on electron current. Distinct phases in electron current generation are illustrated in the initial value simulation. In the early phase before turbulence develops, the electron bootstrap current is established in a time scale of a few electron collision times, which closely agrees with the neoclassical prediction. The second phase follows when turbulence begins to saturate, during which turbulent fluctuations are found to strongly affect electron current. The profile structure, amplitude and phase space structure of electron current density are all significantly modified relative to the neoclassical bootstrap current by the presence of turbulence. Both electron parallel acceleration and parallel residual stress drive are shown to play important roles in turbulence-induced current generation. The current density profile is modified in a way that correlates with the fluctuation intensity gradient through its effect on k//-symmetry breaking in fluctuation spectrum. Turbulence is shown to deduct (enhance) plasma self-generated current in low (high) collisionality regime, and the reduction of total electron current relative to the neoclassical bootstrap current increases as collisionality decreases. The implication of this result to the fully non-inductive current operation in steady state burning plasma regime should be investigated. Finally, significant non-inductive current is observed in flat pressure region, which is a nonlocal effect and results from turbulence spreading induced current diffusion. Work supported by U.S. DOE Contract DE-AC02-09-CH11466.

The structure and spectrum of the accretion shock in the atmospheres of young stars

NASA Astrophysics Data System (ADS)

Dodin, Alexandr

2018-04-01

The structure and spectrum of the accretion shock have been self-consistently simulated for a wide range of parameters typical for Classical T Tauri Stars (CTTS). Radiative cooling of the shocked gas was calculated, taking into account the self-absorption and non-equilibrium (time-dependent) effects in the level populations. These effects modify the standard cooling curve for an optically thin plasma in coronal equilibrium, however the shape of high-temperature (T > 3 × 105 K) part of the curve remains unchanged. The applied methods allow us to smoothly describe the transition from the cooling flow to the hydrostatic stellar atmosphere. Thanks to this approach, it has been found that the narrow component of He II lines is formed predominantly in the irradiated stationary atmosphere (hotspot), i.e. at velocities of the settling gas <2 km s-1. The structure of the pre-shock region is calculated simultaneously with the heated atmosphere. The simulation shows that the pre-shock gas produces a noticeable emission component in He II lines and practically does not manifest itself in He I lines (λλ 5876, 10830 Å). The ultraviolet spectrum of the hotspot is distorted by the pre-shock gas, namely numerous red-shifted emission and absorption lines overlap each other forming a pseudo-continuum. The spectrum of the accretion region at high pre-shock densities ˜1014 cm-3 is fully formed in the in-falling gas and can be qualitatively described as a spectrum of a star with an effective temperature derived from the Stefan-Boltzmann law via the full energy flux.

Demonstration of Anisotropic Fluid Closure Capturing the Kinetic Structure of Magnetic Reconnection

NASA Astrophysics Data System (ADS)

Ohia, Obioma

2012-10-01

Magnetic reconnection in collisionless plasmas plays an important role in space and laboratory plasmas. Allowing magnetic stress to be reduced by a rearrangement of magnetic line topology, this process is often accompanied by a large release of magnetic field energy, which can heat the plasma, drive large scale flows, or accelerate particles. Reconnection has been widely studied through fluid models and kinetic simulations. While two-fluid models often reproduce the fast reconnection that is observed in nature and seen in kinetic simulations, it is found that the structure surrounding the electron diffusion region and the electron current layer differ vastly between fluid models and kinetic simulations [1]. Recently, using an adiabatic solution of the Vlasov equation, a new fluid closure has been obtained for electrons that relate parallel and perpendicular pressures to the density and magnetic field [2]. Here we present the results of fluid simulation, developed using the HiFi framework [3], that implements new equations of state for guide-field reconnection. The new fluid closure accurately accounts for the anisotropic electron pressure that builds in the reconnection region due to electric and magnetic trapping of electrons. In contrast to previous fluid models, our fluid simulation reproduces the detailed reconnection region as observed in fully kinetic simulations [4]. We hereby demonstrate that the new fluid closure self-consistently captures all the physics relevant to the structure of the reconnection region, providing a gateway to a renewed and deeper theoretical understanding for reconnection in weakly collisional regimes.[4pt] [1] Daughton W et al., Phys. Plasmas 13, 072101 (2006).[0pt] [2] Le A et al., Phys. Rev. Lett. 102, 085001 (2009). [0pt] [3] Lukin VS, Linton MG, Nonlinear Proc. Geoph. 18, 871 (2011). [0pt] [4] Ohia O, et al., Phys. Rev. Lett. In Press (2012).

Kinetic simulations of scrape-off layer physics in the DIII-D tokamak

DOE PAGES

Churchill, Randy M.; Canik, John M.; Chang, C. S.; ...

2016-12-27

Simulations using the fully kinetic code XGCa were undertaken to explore the impact of kinetic effects on scrape-off layer (SOL) physics in DIII-D H-mode plasmas. XGCa is a total- f, gyrokinetic code which self-consistently calculates the axisymmetric electrostatic potential and plasma dynamics, and includes modules for Monte Carlo neutral transport. Fluid simulations are normally used to simulate the SOL, due to its high collisionality. However, depending on plasma conditions, a number of discrepancies have been observed between experiment and leading SOL fluid codes (e.g. SOLPS), including underestimating outer target temperatures, radial electric field in the SOL, parallel ion SOL flowsmore » at the low field side, and impurity radiation. Many of these discrepancies may be linked to the fluid treatment, and might be resolved by including kinetic effects in SOL simulations. The XGCa simulation of the DIII-D tokamak in a nominally sheath-limited regime show many noteworthy features in the SOL. The density and ion temperature are higher at the low-field side, indicative of ion orbit loss. The SOL ion Mach flows are at experimentally relevant levels ( Mi ~0.5), with similar shapes and poloidal variation as observed in various tokamaks. Surprisingly, the ion Mach flows close to the sheath edge remain subsonic, in contrast to the typical fluid Bohm criterion requiring ion flows to be above sonic at the sheath edge. Related to this are the presence of elevated sheath potentials, eΔΦ/T e ~ 3–4, over most of the SOL, with regions in the near-SOL close to the separatrix having eΔΦ/Te > 4. Finally, these two results at the sheath edge are a consequence of non-Maxwellian features in the ions and electrons there.« less

Charging of the Van Allen Probes: Theory and Simulations

NASA Astrophysics Data System (ADS)

Delzanno, G. L.; Meierbachtol, C.; Svyatskiy, D.; Denton, M.

2017-12-01

The electrical charging of spacecraft has been a known problem since the beginning of the space age. Its consequences can vary from moderate (single event upsets) to catastrophic (total loss of the spacecraft) depending on a variety of causes, some of which could be related to the surrounding plasma environment, including emission processes from the spacecraft surface. Because of its complexity and cost, this problem is typically studied using numerical simulations. However, inherent unknowns in both plasma parameters and spacecraft material properties can lead to inaccurate predictions of overall spacecraft charging levels. The goal of this work is to identify and study the driving causes and necessary parameters for particular spacecraft charging events on the Van Allen Probes (VAP) spacecraft. This is achieved by making use of plasma theory, numerical simulations, and on-board data. First, we present a simple theoretical spacecraft charging model, which assumes a spherical spacecraft geometry and is based upon the classical orbital-motion-limited approximation. Some input parameters to the model (such as the warm plasma distribution function) are taken directly from on-board VAP data, while other parameters are either varied parametrically to assess their impact on the spacecraft potential, or constrained through spacecraft charging data and statistical techniques. Second, a fully self-consistent numerical simulation is performed by supplying these parameters to CPIC, a particle-in-cell code specifically designed for studying plasma-material interactions. CPIC simulations remove some of the assumptions of the theoretical model and also capture the influence of the full geometry of the spacecraft. The CPIC numerical simulation results will be presented and compared with on-board VAP data. This work will set the foundation for our eventual goal of importing the full plasma environment from the LANL-developed SHIELDS framework into CPIC, in order to more accurately predict spacecraft charging.

Control of polarization rotation in nonlinear propagation of fully structured light

NASA Astrophysics Data System (ADS)

Gibson, Christopher J.; Bevington, Patrick; Oppo, Gian-Luca; Yao, Alison M.

2018-03-01

Knowing and controlling the spatial polarization distribution of a beam is of importance in applications such as optical tweezing, imaging, material processing, and communications. Here we show how the polarization distribution is affected by both linear and nonlinear (self-focusing) propagation. We derive an analytical expression for the polarization rotation of fully structured light (FSL) beams during linear propagation and show that the observed rotation is due entirely to the difference in Gouy phase between the two eigenmodes comprising the FSL beams, in excellent agreement with numerical simulations. We also explore the effect of cross-phase modulation due to a self-focusing (Kerr) nonlinearity and show that polarization rotation can be controlled by changing the eigenmodes of the superposition, and physical parameters such as the beam size, the amount of Kerr nonlinearity, and the input power. Finally, we show that by biasing cylindrical vector beams to have elliptical polarization, we can vary the polarization state from radial through spiral to azimuthal using nonlinear propagation.

Quantitative verification of ab initio self-consistent laser theory.

PubMed

Ge, Li; Tandy, Robert J; Stone, A D; Türeci, Hakan E

2008-10-13

We generalize and test the recent "ab initio" self-consistent (AISC) time-independent semiclassical laser theory. This self-consistent formalism generates all the stationary lasing properties in the multimode regime (frequencies, thresholds, internal and external fields, output power and emission pattern) from simple inputs: the dielectric function of the passive cavity, the atomic transition frequency, and the transverse relaxation time of the lasing transition.We find that the theory gives excellent quantitative agreement with full time-dependent simulations of the Maxwell-Bloch equations after it has been generalized to drop the slowly-varying envelope approximation. The theory is infinite order in the non-linear hole-burning interaction; the widely used third order approximation is shown to fail badly.

Self-consistent pseudopotential calculation of the bulk properties of Mo and W

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

Zunger, A.; Cohen, M.L.

The bulk properties of Mo and W are calculated using the recently developed momentum-space approach for calculating total energy via a nonlocal pseudopotential. This approach avoids any shape approximation to the variational charge density (e.g., muffin tins), is fully self-consistent, and replaces the multidimensional and multicenter integrals akin to real-space representations by simple and readily convergent reciprocal-space lattice sums. We use first-principles atomic pseudopotentials which have been previously demonstrated to yield band structures and charge densities for both semiconductors and transition metals in good agreement with experiment and all-electron calculations. Using a mixed-basis representation for the crystalline wave function, wemore » are able to accurately reproduce both the localized and itinerant features of the electronic states in these systems. These first-principles pseudopotentials, together with the self-consistent density-functional representation for both the exchange and the correlation screening, yields agreement with experiment of 0.2% in the lattice parameters, 2% and 11% for the binding energies of Mo and W, respectively, and 12% and 7% for the bulk moduli of Mo and W, respectively.« less

Impacts of future radiation management scenarios on terrestrial carbon dynamics simulated with fully coupled NorESM

NASA Astrophysics Data System (ADS)

Ekici, Altug; Tjiputra, Jerry; Grini, Alf; Muri, Helene

2017-04-01

We have simulated 3 different radiation management geoengineering methods (CCT - cirrus cloud thinning; SAI - stratospheric aerosol injection; MSB - marine sky brightening) on top of future RCP8.5 scenario with the fully coupled Norwegian Earth System Model (NorESM). A globally consistent cooling in both atmosphere and soil is observed with all methods. However, precipitation patterns are dependent on the used method. Globally CCT and MSB methods do not affect the vegetation carbon budget, while SAI leads to a loss compared to RCP8.5 simulations. Spatially the most sensitive region is the tropics. Here, the changes in vegetation carbon content are related to the precipitation changes. Increase in soil carbon is projected in all three methods, the biggest change seen in SAI method. Simulations with CCT method leads to twice as much soil carbon retention in the tropics compared to the MSB method. Our findings show that there are unforeseen regional consequences of such geoengineering methods in the biogeochemical cycles and they should be considered with care in future climate policies.

Self-consistent Simulation of Microparticle and Ion Wakefield Configuration

NASA Astrophysics Data System (ADS)

Sanford, Dustin; Brooks, Beau; Ellis, Naoki; Matthews, Lorin; Hyde, Truell

2017-10-01

In a complex plasma, positively charged ions often have a directed flow with respect to the negatively charged dust grains. The resulting interaction between the dust and the flowing plasma creates an ion wakefield downstream from the dust particles, with the resulting positive space region modifying the interaction between the grains and contributing to the observed dynamics and equilibrium structure of the system. Here we present a proof of concept method that uses a molecular dynamics simulation to model the ion wakefield allowing the dynamics of the dust particles to be determined self-consistently. The trajectory of each ion is calculated including the forces from all other ions, which are treated as ``Yukawa particles'' and shielded from thermal electrons and the forces of the charged dust particles. Both the dust grain charge and the wakefield structure are also self-consistently determined for various particle configurations. The resultant wakefield potentials are then used to provide dynamic simulations of dust particle pairs. These results will be employed to analyze the formation and dynamics of field-aligned chains in CASPER's PK4 experiment onboard the International Space Station, allowing examination of extended dust chains without the masking force of gravity. This work was supported by the National Science Foundation under Grants PHY-1414523 and PHY-1740203.

Self-Assembled InAs Nanowires as Optical Reflectors

PubMed Central

Floris, Francesco; Fornasari, Lucia; Marini, Andrea; Roddaro, Stefano; Beltram, Fabio; Cecchini, Marco; Sorba, Lucia; Rossella, Francesco

2017-01-01

Subwavelength nanostructured surfaces are realized with self-assembled vertically-aligned InAs nanowires, and their functionalities as optical reflectors are investigated. In our system, polarization-resolved specular reflectance displays strong modulations as a function of incident photon energy and angle. An effective-medium model allows one to rationalize the experimental findings in the long wavelength regime, whereas numerical simulations fully reproduce the experimental outcomes in the entire frequency range. The impact of the refractive index of the medium surrounding the nanostructure assembly on the reflectance was estimated. In view of the present results, sensing schemes compatible with microfluidic technologies and routes to innovative nanowire-based optical elements are discussed. PMID:29160860

Difficult removal of fully covered self expandable metal stents (SEMS) for benign biliary strictures: the "SEMS in SEMS" technique.

PubMed

Tringali, Andrea; Blero, Daniel; Boškoski, Ivo; Familiari, Pietro; Perri, Vincenzo; Devière, Jacques; Costamagna, Guido

2014-06-01

Removal of biliary Fully Covered Self Expandable Metal Stents can fail due to stent migration and/or hyperplastic ingrowth/overgrowth. A case series of 5 patients with benign biliary strictures (2 post-cholecystectomy, 2 following liver transplantation and 1 related to chronic pancreatitis) is reported. The biliary stricture was treated by temporary insertion of Fully Covered Self Expandable Metal Stents. Stent removal failed due to proximal stent migration and/or overgrowth. Metal stent removal was attempted a few weeks after the insertion of another Fully Covered Metal Stent into the first one. The inner Fully Covered Self Expandable Metal Stent compressed the hyperplastic tissue, leading to the extraction of both the stents in all cases. Two complications were reported as a result of the attempt to stents removal (mild pancreatitis and self-limited haemobilia). In the present series, the "SEMS in SEMS" technique revealed to be effective when difficulties are encountered during Fully Covered Self Expandable Metal Stents removal. Copyright © 2014 Editrice Gastroenterologica Italiana S.r.l. Published by Elsevier Ltd. All rights reserved.

Winds from Luminous Late-Type Stars: II. Broadband Frequency Distribution of Alfven Waves

NASA Technical Reports Server (NTRS)

Airapetian, V.; Carpenter, K. G.; Ofman, L.

2010-01-01

We present the numerical simulations of winds from evolved giant stars using a fully non-linear, time dependent 2.5-dimensional magnetohydrodynamic (MHD) code. This study extends our previous fully non-linear MHD wind simulations to include a broadband frequency spectrum of Alfven waves that drive winds from red giant stars. We calculated four Alfven wind models that cover the whole range of Alfven wave frequency spectrum to characterize the role of freely propagated and reflected Alfven waves in the gravitationally stratified atmosphere of a late-type giant star. Our simulations demonstrate that, unlike linear Alfven wave-driven wind models, a stellar wind model based on plasma acceleration due to broadband non-linear Alfven waves, can consistently reproduce the wide range of observed radial velocity profiles of the winds, their terminal velocities and the observed mass loss rates. Comparison of the calculated mass loss rates with the empirically determined mass loss rate for alpha Tau suggests an anisotropic and time-dependent nature of stellar winds from evolved giants.

Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes.

PubMed

Kang, Myungshim; Chakraborty, Kaushik; Loverde, Sharon M

2018-06-25

We report here on long-time all-atomistic molecular dynamics simulations of functional supramolecular nanotubes composed by the self-assembly of peptide-drug amphiphiles (DAs). These DAs have been shown to possess an inherently high drug loading of the hydrophobic anticancer drug camptothecin. We probe the self-assembly mechanism from random with ∼0.4 μs molecular dynamics simulations. Furthermore, we also computationally characterize the interfacial structure, directionality of π-π stacking, and water dynamics within several peptide-drug nanotubes with diameters consistent with the reported experimental nanotube diameter. Insight gained should inform the future design of these novel anticancer drug delivery systems.

Directional transport of colloids inside a bath of self-propelling walkers.

PubMed

Merlitz, Holger; Wu, Chenxu; Sommer, Jens-Uwe

2017-05-24

We present a setup in which passive colloids inside a solvent are moved to the boundaries of the container. The directional transport is facilitated by self-propelling microparticles ("walkers") with an activity gradient, which reduces their propulsion in the vicinity of bounding walls. An attractive interaction leads to the adsorption of walkers onto the colloid-surfaces in regions of low walker activity. It is shown that the activity gradient generates a free energy gradient which in turn acts as a driving force on the passive colloids. We carry out molecular dynamics simulations and present approaches to a theoretical description of the involved processes. Although the simulation data are not reproduced on a fully quantitative level, their qualitative features are covered by the model. The effect described here may be applied to facilitate a directional transport of drugs or to eliminate pollutants.

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

Bassi, Gabriele; Blednykh, Alexei; Smalyuk, Victor

A novel algorithm for self-consistent simulations of long-range wakefield effects has been developed and applied to the study of both longitudinal and transverse coupled-bunch instabilities at NSLS-II. The algorithm is implemented in the new parallel tracking code space (self-consistent parallel algorithm for collective effects) discussed in the paper. The code is applicable for accurate beam dynamics simulations in cases where both bunch-to-bunch and intrabunch motions need to be taken into account, such as chromatic head-tail effects on the coupled-bunch instability of a beam with a nonuniform filling pattern, or multibunch and single-bunch effects of a passive higher-harmonic cavity. The numericalmore » simulations have been compared with analytical studies. For a beam with an arbitrary filling pattern, intensity-dependent complex frequency shifts have been derived starting from a system of coupled Vlasov equations. The analytical formulas and numerical simulations confirm that the analysis is reduced to the formulation of an eigenvalue problem based on the known formulas of the complex frequency shifts for the uniform filling pattern case.« less

Teaching machines to find mantle composition

NASA Astrophysics Data System (ADS)

Atkins, Suzanne; Tackley, Paul; Trampert, Jeannot; Valentine, Andrew

2017-04-01

The composition of the mantle affects many geodynamical processes by altering factors such as the density, the location of phase changes, and melting temperature. The inferences we make about mantle composition also determine how we interpret the changes in velocity, reflections, attenuation and scattering seen by seismologists. However, the bulk composition of the mantle is very poorly constrained. Inferences are made from meteorite samples, rock samples from the Earth and inferences made from geophysical data. All of these approaches require significant assumptions and the inferences made are subject to large uncertainties. Here we present a new method for inferring mantle composition, based on pattern recognition machine learning, which uses large scale in situ observations of the mantle to make fully probabilistic inferences of composition for convection simulations. Our method has an advantage over other petrological approaches because we use large scale geophysical observations. This means that we average over much greater length scales and do not need to rely on extrapolating from localised samples of the mantle or planetary disk. Another major advantage of our method is that it is fully probabilistic. This allows us to include all of the uncertainties inherent in the inference process, giving us far more information about the reliability of the result than other methods. Finally our method includes the impact of composition on mantle convection. This allows us to make much more precise inferences from geophysical data than other geophysical approaches, which attempt to invert one observation with no consideration of the relationship between convection and composition. We use a sampling based inversion method, using hundreds of convection simulations run using StagYY with self consistent mineral physics properties calculated using the PerpleX package. The observations from these simulations are used to train a neural network to make a probabilistic inference for major element oxide composition of the mantle. We find we can constrain bulk mantle FeO molar percent, FeO/MgO and FeO/SiO2 using observations of the temperature and density structure of the mantle in convection simulations.

Development of Self-Potential Tomography for Early Warning System of rainfall induced Landslides: Electro-kinetic Effects and Sandbox Experiments

NASA Astrophysics Data System (ADS)

Hattori, K.; Yamazaki, T.; Terajima, T.; Huang, Q.

2017-12-01

Electro-kinetic effects is one of the possible mechanism for ULF electromagnetic phenomena preceeding landlisdes and large earthquakes. To understand general tendencies of electromagnetic changes related to electro-kinetic effects, we struggle with the integrated research to clarify the coupling among hydrological, geotechnical, and electromagnetic changes. Our final goal is to understand the ULF elecromagnetic phenomena in order to develop a simple technology for earthquake monitoring/forecasting. So, in this paper, we first show the observed waveforms possibly related to the Boso slow slip events in 2003 and 2007 and indoor landslide experiments with artificial rainfall. Then, numerical computations on the self-potential variation by the simulated groundwater flow, and compare the results with those observed by laboratory experiments. In the result, the simulated self-potential variation is consistent with observed one. FInally, we developed self-potential tomography to estimate the ground water condition. And we also characterize the pressure from the self-potential data, and compare the result with observed pressure head that is measured by pore-pressure gauge and found that the inverted pressure head is consistent with observed one. In addition, we apply the self-potential data observed by the flume test. The estimated pressure head from observed self-potential data shows the consistency with observed pressure head. And estimated pressure head also show the characteristic distribution before the landslide occurred. These facts are highly suggestive in effectiveness of the self-potential tomography to monitor groundwater changes associated with landslide. The details will be given in our presentation.

Control volume analyses of glottal flow using a fully-coupled numerical fluid-structure interaction model

NASA Astrophysics Data System (ADS)

Yang, Jubiao; Krane, Michael; Zhang, Lucy

2013-11-01

Vocal fold vibrations and the glottal jet are successfully simulated using the modified Immersed Finite Element method (mIFEM), a fully coupled dynamics approach to model fluid-structure interactions. A self-sustained and steady vocal fold vibration is captured given a constant pressure input at the glottal entrance. The flow rates at different axial locations in the glottis are calculated, showing small variations among them due to the vocal fold motion and deformation. To further facilitate the understanding of the phonation process, two control volume analyses, specifically with Bernoulli's equation and Newton's 2nd law, are carried out for the glottal flow based on the simulation results. A generalized Bernoulli's equation is derived to interpret the correlations between the velocity and pressure temporally and spatially along the center line which is a streamline using a half-space model with symmetry boundary condition. A specialized Newton's 2nd law equation is developed and divided into terms to help understand the driving mechanism of the glottal flow.

The Locations of Ring Current Pressure Peaks: Comparison of TWINS Measurements and CIMI Simulations for the 7-10 September 2015 CIR Storm

NASA Astrophysics Data System (ADS)

Hill, S. C.; Edmond, J. A.; Xu, H.; Perez, J. D.; Fok, M. C. H.; Goldstein, J.; McComas, D. J.; Valek, P. W.

2017-12-01

The characteristics of a four day 7-10 September 2015 co-rotating interaction region (CIR) storm (min. SYM/H ≤ -110 nT) are categorized by storm phase. Ion distributions of trapped particles in the ring current as measured by the Two Wide-Angle Imaging Neutral Atom Spectrometers (TWINS) are compared with the simulated ion distributions of the Comprehensive Inner Magnetosphere-Ionosphere Model (CIMI). The energetic neutral atom (ENA) images obtained by TWINS are deconvolved to extract equatorial pitch angle, energy spectra, ion pressure intensity, and ion pressure anisotropy distributions in the inner magnetosphere. CIMI, using either a self-consistent electric field or a semi-empirical electric field, simulates comparable distributions. There is good agreement between the data measured by TWINS and the different distributions produced by the self-consistent electric field and the semi-empirical electric field of CIMI. Throughout the storm the pitch angle distribution (PAD) is mostly perpendicular in both CIMI and TWINS and there is agreement between the anisotropy distributions. The locations of the ion pressure peaks seen by TWINS and by the self-consistent and semi empirical electric field parameters in CIMI are usually between dusk and midnight. On average, the self-consistent electric field in CIMI reveals ion pressure peaks closer to Earth than its semi empirical counterpart, while TWINS reports somewhat larger radial values for the ion pressure peak locations. There are also notable events throughout the storm during which the simulated observations show some characteristics that differ from those measured by TWINS. At times, there are ion pressure peaks with magnetic local time on the dayside and in the midnight to dawn region. We discuss these events in light of substorm injections indicated by fluctuating peaks in the AE index and a positive By component in the solar wind. There are also times in which there are multiple ion pressure peaks. This may imply that there are time dependent and spatially dependent injection events that are influenced by local reconnection regions in the tail of the magnetosphere. Using CIMI simulations, we present paths of particles with various energies to assist in interpreting these notable events.

Flux-driven simulations of turbulence collapse

DOE PAGES

Park, G. Y.; Kim, S. S.; Jhang, Hogun; ...

2015-03-12

In this study, using self-consistent three-dimensional nonlinear simulations of tokamak turbulence, we show that an edge transport barrier (ETB) forms naturally due to mean E x B shear feedback through evolving pressure gradient once input power exceeds a threshold value. The temporal evolution and development of the transition are elucidated. Profiles, turbulence-driven flows and neoclassical coefficients are evolved self-consistently. A slow power ramp-up simulation shows that ETB transition is triggered by the turbulence-driven flows via an intermediate phase which involves coherent oscillation of turbulence intensity and E x B flow shear. A novel observation of the evolution is that themore » turbulence collapses and the ETB transition begins when R T > 1 at t = t R (R T : normalized Reynolds power), while the conventional transition criterion (ω E x B > γlin) is satisfied only after t = t C (> t R), when the mean ow shear grows due to positive feedback.« less

Effects of imperfect automation on decision making in a simulated command and control task.

PubMed

Rovira, Ericka; McGarry, Kathleen; Parasuraman, Raja

2007-02-01

Effects of four types of automation support and two levels of automation reliability were examined. The objective was to examine the differential impact of information and decision automation and to investigate the costs of automation unreliability. Research has shown that imperfect automation can lead to differential effects of stages and levels of automation on human performance. Eighteen participants performed a "sensor to shooter" targeting simulation of command and control. Dependent variables included accuracy and response time of target engagement decisions, secondary task performance, and subjective ratings of mental work-load, trust, and self-confidence. Compared with manual performance, reliable automation significantly reduced decision times. Unreliable automation led to greater cost in decision-making accuracy under the higher automation reliability condition for three different forms of decision automation relative to information automation. At low automation reliability, however, there was a cost in performance for both information and decision automation. The results are consistent with a model of human-automation interaction that requires evaluation of the different stages of information processing to which automation support can be applied. If fully reliable decision automation cannot be guaranteed, designers should provide users with information automation support or other tools that allow for inspection and analysis of raw data.

The life story of hydrogen peroxide II: a periodic pH and thermochemical drive for the RNA world

PubMed Central

Ball, Rowena; Brindley, John

2015-01-01

It is now accepted that primordial non-cellular RNA communities must have been subject to a periodic drive in order to replicate and prosper. We have proposed the oxidation of thiosulfate by hydrogen peroxide as this drive. This reaction system behaves as (i) a thermochemical and (ii) a pH oscillator, and in this work, we unify (i) and (ii) for the first time. We report thermally self-consistent, dynamical simulations in which the system transitions smoothly from nearly isothermal pH to fully developed thermo-pH oscillatory regimes. We use this oscillator to drive simulated replication of a 39-bp RNA species. Production of replicated duplex under thermo-pH drive was significantly enhanced compared with that under purely thermochemical drive, effectively allowing longer strands to replicate. Longer strands are fitter, with more potential to evolve enzyme activity and resist degradation. We affirm that concern over the alleged toxicity of hydrogen peroxide to life is largely misplaced in the current context, we survey its occurrence in the solar system to motivate its inclusion as a biosignature in the search for life on other worlds and highlight that pH oscillations in a spatially extended, bounded system manifest as the fundamental driving force of life: a proton gradient. PMID:26202683

Ultimate scaling of TiN/ZrO2/TiN capacitors: Leakage currents and limitations due to electrode roughness

NASA Astrophysics Data System (ADS)

Jegert, Gunther; Kersch, Alfred; Weinreich, Wenke; Lugli, Paolo

2011-01-01

In this paper, we investigate the influence of electrode roughness on the leakage current in TiN/high-κ ZrO2/TiN (TZT) thin-film capacitors which are used in dynamic random access memory cells. Based on a microscopic transport model, which is expanded to incorporate electrode roughness, we assess the ultimate scaling potential of TZT capacitors in terms of equivalent oxide thickness, film smoothness, thickness fluctuations, defect density and distribution, and conduction band offset (CBO). The model is based on three-dimensional, fully self-consistent, kinetic Monte Carlo transport simulations. Tunneling transport in the bandgap of the dielectric is treated, which includes defect-assisted transport mechanisms. Electrode roughness is described in the framework of fractal geometry. While the short-range roughness of the electrodes is found not to influence significantly the leakage current, thickness fluctuations of the dielectric have a major impact. For thinner dielectric films they cause a transformation of the dominant transport mechanism from Poole-Frenkel conduction to trap-assisted tunneling. Consequently, the sensitivity of the leakage current on electrode roughness drastically increases on downscaling. Based on the simulations, optimization of the CBO is suggested as the most viable strategy to extend the scalability of TZT capacitors over the next chip generations.

Gyrokinetic simulation of edge blobs and divertor heat-load footprint

NASA Astrophysics Data System (ADS)

Chang, C. S.; Ku, S.; Hager, R.; Churchill, M.; D'Azevedo, E.; Worley, P.

2015-11-01

Gyrokinetic study of divertor heat-load width Lq has been performed using the edge gyrokinetic code XGC1. Both neoclassical and electrostatic turbulence physics are self-consistently included in the simulation with fully nonlinear Fokker-Planck collision operation and neutral recycling. Gyrokinetic ions and drift kinetic electrons constitute the plasma in realistic magnetic separatrix geometry. The electron density fluctuations from nonlinear turbulence form blobs, as similarly seen in the experiments. DIII-D and NSTX geometries have been used to represent today's conventional and tight aspect ratio tokamaks. XGC1 shows that the ion neoclassical orbit dynamics dominates over the blob physics in setting Lq in the sample DIII-D and NSTX plasmas, re-discovering the experimentally observed 1/Ip type scaling. Magnitude of Lq is in the right ballpark, too, in comparison with experimental data. However, in an ITER standard plasma, XGC1 shows that the negligible neoclassical orbit excursion effect makes the blob dynamics to dominate Lq. Differently from Lq 1mm (when mapped back to outboard midplane) as was predicted by simple-minded extrapolation from the present-day data, XGC1 shows that Lq in ITER is about 1 cm that is somewhat smaller than the average blob size. Supported by US DOE and the INCITE program.

The impact of simulation education on self-efficacy towards teaching for nurse educators.

PubMed

Garner, S L; Killingsworth, E; Bradshaw, M; Raj, L; Johnson, S R; Abijah, S P; Parimala, S; Victor, S

2018-03-23

The objective of this study was to assess the impact of a simulation workshop on self-efficacy towards teaching for nurse educators in India. Additionally, we sought to revise and validate a tool to measure self-efficacy in teaching for use with a global audience. Simulation is an evidence-based teaching and learning method and is increasingly used in nursing education globally. As new technology and teaching methods such as simulation continue to evolve, it is important for new as well as experienced nurse educators globally to have confidence in their teaching skills and abilities. The study included (1) instrument revision, and measures of reliability and validation, (2) an 8-h faculty development workshop intervention on simulation, (3) pre- and post-survey of self-efficacy among nurse educators, and (4) investigation of relationship between faculty socio-demographics and degree of self-efficacy. The modified tool showed internal consistency (r = 0.98) and was validated by international faculty experts. There were significant improvements in total self-efficacy (P < 0.001) and subscale scores among nurse educators after the simulation workshop intervention when compared to pre-survey results. No significant relationships were found between socio-demographic variables and degree of self-efficacy. Strong self-efficacy in teaching among nurse educators is crucial for effective learning to occur. Results indicated the simulation workshop was effective in significantly improving self-efficacy towards teaching for nurse educators using an internationally validated tool. The Minister of Health in India recently called for improvements in nursing education. Introducing nursing education on simulation as a teaching method in India and globally to improve self-efficacy among teachers is an example of a strategy towards meeting this call. © 2018 The Authors International Nursing Review published by John Wiley & Sons Ltd on behalf of International Council of Nurses.

Computation of the bluff-body sound generation by a self-consistent mean flow formulation

NASA Astrophysics Data System (ADS)

Fani, A.; Citro, V.; Giannetti, F.; Auteri, F.

2018-03-01

The sound generated by the flow around a circular cylinder is numerically investigated by using a finite-element method. In particular, we study the acoustic emissions generated by the flow past the bluff body at low Mach and Reynolds numbers. We perform a global stability analysis by using the compressible linearized Navier-Stokes equations. The resulting direct global mode provides detailed information related to the underlying hydrodynamic instability and data on the acoustic field generated. In order to recover the intensity of the produced sound, we apply the self-consistent model for non-linear saturation proposed by Mantič-Lugo, Arratia, and Gallaire ["Self-consistent mean flow description of the nonlinear saturation of the vortex shedding in the cylinder wake," Phys. Rev. Lett. 113, 084501 (2014)]. The application of this model allows us to compute the amplitude of the resulting linear mode and the effects of saturation on the mode structure and acoustic field. Our results show excellent agreement with those obtained by a full compressible simulation direct numerical simulation and those derived by the application of classical acoustic analogy formulations.

Time-Domain Filtering for Spatial Large-Eddy Simulation

NASA Technical Reports Server (NTRS)

Pruett, C. David

1997-01-01

An approach to large-eddy simulation (LES) is developed whose subgrid-scale model incorporates filtering in the time domain, in contrast to conventional approaches, which exploit spatial filtering. The method is demonstrated in the simulation of a heated, compressible, axisymmetric jet, and results are compared with those obtained from fully resolved direct numerical simulation. The present approach was, in fact, motivated by the jet-flow problem and the desire to manipulate the flow by localized (point) sources for the purposes of noise suppression. Time-domain filtering appears to be more consistent with the modeling of point sources; moreover, time-domain filtering may resolve some fundamental inconsistencies associated with conventional space-filtered LES approaches.

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

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

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

Extended Lagrangian Density Functional Tight-Binding Molecular Dynamics for Molecules and Solids

DOE PAGES

Aradi, Bálint; Niklasson, Anders M. N.; Frauenheim, Thomas

2015-06-26

A computationally fast quantum mechanical molecular dynamics scheme using an extended Lagrangian density functional tight-binding formulation has been developed and implemented in the DFTB+ electronic structure program package for simulations of solids and molecular systems. The scheme combines the computational speed of self-consistent density functional tight-binding theory with the efficiency and long-term accuracy of extended Lagrangian Born–Oppenheimer molecular dynamics. Furthermore, for systems without self-consistent charge instabilities, only a single diagonalization or construction of the single-particle density matrix is required in each time step. The molecular dynamics simulation scheme can also be applied to a broad range of problems in materialsmore » science, chemistry, and biology.« less

A 40 GHz fully integrated circuit with a vector network analyzer and a coplanar-line-based detection area for circulating tumor cell analysis using 65 nm CMOS technology

NASA Astrophysics Data System (ADS)

Nakanishi, Taiki; Matsunaga, Maya; Kobayashi, Atsuki; Nakazato, Kazuo; Niitsu, Kiichi

2018-03-01

A 40-GHz fully integrated CMOS-based circuit for circulating tumor cells (CTC) analysis, consisting of an on-chip vector network analyzer (VNA) and a highly sensitive coplanar-line-based detection area is presented in this paper. In this work, we introduce a fully integrated architecture that eliminates unwanted parasitic effects. The proposed analyzer was designed using 65 nm CMOS technology, and SPICE and MWS simulations were used to validate its operation. The simulation confirmed that the proposed circuit can measure S-parameter shifts resulting from the addition of various types of tumor cells to the detection area, the data of which are provided in a previous study: the |S 21| values for HepG2, A549, and HEC-1-A cells are -0.683, -0.580, and -0.623 dB, respectively. Additionally, the measurement demonstrated an S-parameters reduction of -25.7% when a silicone resin was put on the circuit. Hence, the proposed system is expected to contribute to cancer diagnosis.

Self-Consistent Chaotic Transport in a High-Dimensional Mean-Field Hamiltonian Map Model

DOE PAGES

Martínez-del-Río, D.; del-Castillo-Negrete, D.; Olvera, A.; ...

2015-10-30

We studied the self-consistent chaotic transport in a Hamiltonian mean-field model. This model provides a simplified description of transport in marginally stable systems including vorticity mixing in strong shear flows and electron dynamics in plasmas. Self-consistency is incorporated through a mean-field that couples all the degrees-of-freedom. The model is formulated as a large set of N coupled standard-like area-preserving twist maps in which the amplitude and phase of the perturbation, rather than being constant like in the standard map, are dynamical variables. Of particular interest is the study of the impact of periodic orbits on the chaotic transport and coherentmore » structures. Furthermore, numerical simulations show that self-consistency leads to the formation of a coherent macro-particle trapped around the elliptic fixed point of the system that appears together with an asymptotic periodic behavior of the mean field. To model this asymptotic state, we introduced a non-autonomous map that allows a detailed study of the onset of global transport. A turnstile-type transport mechanism that allows transport across instantaneous KAM invariant circles in non-autonomous systems is discussed. As a first step to understand transport, we study a special type of orbits referred to as sequential periodic orbits. Using symmetry properties we show that, through replication, high-dimensional sequential periodic orbits can be generated starting from low-dimensional periodic orbits. We show that sequential periodic orbits in the self-consistent map can be continued from trivial (uncoupled) periodic orbits of standard-like maps using numerical and asymptotic methods. Normal forms are used to describe these orbits and to find the values of the map parameters that guarantee their existence. Numerical simulations are used to verify the prediction from the asymptotic methods.« less

Self-Consistent Chaotic Transport in a High-Dimensional Mean-Field Hamiltonian Map Model

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

Martínez-del-Río, D.; del-Castillo-Negrete, D.; Olvera, A.

We studied the self-consistent chaotic transport in a Hamiltonian mean-field model. This model provides a simplified description of transport in marginally stable systems including vorticity mixing in strong shear flows and electron dynamics in plasmas. Self-consistency is incorporated through a mean-field that couples all the degrees-of-freedom. The model is formulated as a large set of N coupled standard-like area-preserving twist maps in which the amplitude and phase of the perturbation, rather than being constant like in the standard map, are dynamical variables. Of particular interest is the study of the impact of periodic orbits on the chaotic transport and coherentmore » structures. Furthermore, numerical simulations show that self-consistency leads to the formation of a coherent macro-particle trapped around the elliptic fixed point of the system that appears together with an asymptotic periodic behavior of the mean field. To model this asymptotic state, we introduced a non-autonomous map that allows a detailed study of the onset of global transport. A turnstile-type transport mechanism that allows transport across instantaneous KAM invariant circles in non-autonomous systems is discussed. As a first step to understand transport, we study a special type of orbits referred to as sequential periodic orbits. Using symmetry properties we show that, through replication, high-dimensional sequential periodic orbits can be generated starting from low-dimensional periodic orbits. We show that sequential periodic orbits in the self-consistent map can be continued from trivial (uncoupled) periodic orbits of standard-like maps using numerical and asymptotic methods. Normal forms are used to describe these orbits and to find the values of the map parameters that guarantee their existence. Numerical simulations are used to verify the prediction from the asymptotic methods.« less

Gate-controlled current and inelastic electron tunneling spectrum of benzene: a self-consistent study.

PubMed

Liang, Y Y; Chen, H; Mizuseki, H; Kawazoe, Y

2011-04-14

We use density functional theory based nonequilibrium Green's function to self-consistently study the current through the 1,4-benzenedithiol (BDT). The elastic and inelastic tunneling properties through this Au-BDT-Au molecular junction are simulated, respectively. For the elastic tunneling case, it is found that the current through the tilted molecule can be modulated effectively by the external gate field, which is perpendicular to the phenyl ring. The gate voltage amplification comes from the modulation of the interaction between the electrodes and the molecules in the junctions. For the inelastic case, the electron tunneling scattered by the molecular vibrational modes is considered within the self-consistent Born approximation scheme, and the inelastic electron tunneling spectrum is calculated.

3-D VPIC simulation of an vortex-induced reconnection event observed by MMS

DOE Data Explorer

Nakamura, Takuma; Daughton, William

2016-01-01

The data set consists of a 3-D fully kinetic (VPIC) simulation of an in-situ observation event at the Earth's magnetopause by the NASA MMS spacecraft on September 8, 2015. The results show a turbulent development of magnetic reconnection induced by the Kelvin-Helmohltz vortex, and resulting significantly efficient plasma mixing across the magnetopause. The vortex-induced reconnection signatures are well consistent with the MMS observations. These results are published in some scientific journals such as Nature Communications. Fortran unformatted files with 1024x1536x512 cells, which have been compressed from original ones with 2048x3072x1024 cells, are archived for selected time slices of field and moment data shown in these papers.

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

DOE PAGES

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

2018-03-07

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

Trajectory following and stabilization control of fully actuated AUV using inverse kinematics and self-tuning fuzzy PID.

PubMed

Hammad, Mohanad M; Elshenawy, Ahmed K; El Singaby, M I

2017-01-01

In this work a design for self-tuning non-linear Fuzzy Proportional Integral Derivative (FPID) controller is presented to control position and speed of Multiple Input Multiple Output (MIMO) fully-actuated Autonomous Underwater Vehicles (AUV) to follow desired trajectories. Non-linearity that results from the hydrodynamics and the coupled AUV dynamics makes the design of a stable controller a very difficult task. In this study, the control scheme in a simulation environment is validated using dynamic and kinematic equations for the AUV model and hydrodynamic damping equations. An AUV configuration with eight thrusters and an inverse kinematic model from a previous work is utilized in the simulation. In the proposed controller, Mamdani fuzzy rules are used to tune the parameters of the PID. Nonlinear fuzzy Gaussian membership functions are selected to give better performance and response in the non-linear system. A control architecture with two feedback loops is designed such that the inner loop is for velocity control and outer loop is for position control. Several test scenarios are executed to validate the controller performance including different complex trajectories with and without injection of ocean current disturbances. A comparison between the proposed FPID controller and the conventional PID controller is studied and shows that the FPID controller has a faster response to the reference signal and more stable behavior in a disturbed non-linear environment.

Trajectory following and stabilization control of fully actuated AUV using inverse kinematics and self-tuning fuzzy PID

PubMed Central

Elshenawy, Ahmed K.; El Singaby, M.I.

2017-01-01

In this work a design for self-tuning non-linear Fuzzy Proportional Integral Derivative (FPID) controller is presented to control position and speed of Multiple Input Multiple Output (MIMO) fully-actuated Autonomous Underwater Vehicles (AUV) to follow desired trajectories. Non-linearity that results from the hydrodynamics and the coupled AUV dynamics makes the design of a stable controller a very difficult task. In this study, the control scheme in a simulation environment is validated using dynamic and kinematic equations for the AUV model and hydrodynamic damping equations. An AUV configuration with eight thrusters and an inverse kinematic model from a previous work is utilized in the simulation. In the proposed controller, Mamdani fuzzy rules are used to tune the parameters of the PID. Nonlinear fuzzy Gaussian membership functions are selected to give better performance and response in the non-linear system. A control architecture with two feedback loops is designed such that the inner loop is for velocity control and outer loop is for position control. Several test scenarios are executed to validate the controller performance including different complex trajectories with and without injection of ocean current disturbances. A comparison between the proposed FPID controller and the conventional PID controller is studied and shows that the FPID controller has a faster response to the reference signal and more stable behavior in a disturbed non-linear environment. PMID:28683071

Self-Assembly of Nanoclusters into Mono-, Few-, and Multilayered Sheets via Dipole-Induced Asymmetric van der Waals Attraction.

PubMed

Wu, Zhennan; Liu, Jiale; Li, Yanchun; Cheng, Ziyi; Li, Tingting; Zhang, Hao; Lu, Zhongyuan; Yang, Bai

2015-06-23

Two-dimensional (2D) nanomaterials possessing regular layered structures and versatile chemical composition are highly expected in many applications. Despite the importance of van der Waals (vdW) attraction in constructing and maintaining layered structures, the origin of 2D anisotropy is not fully understood, yet. Here, we report the 2D self-assembly of ligand-capped Au15 nanoclusters into mono-, few-, and multilayered sheets in colloidal solution. Both the experimental results and computer simulation reveal that the 2D self-assembly is initiated by 1D dipolar attraction common in nanometer-sized objects. The dense 1D attachment of Au15 leads to a redistribution of the surface ligands, thus generating asymmetric vdW attraction. The deliberate control of the coordination of dipolar and vdW attraction further allows to manipulate the thickness and morphologies of 2D self-assembly architectures.

Self-consistent atmosphere modeling with cloud formation for low-mass stars and exoplanets

NASA Astrophysics Data System (ADS)

Juncher, Diana; Jørgensen, Uffe G.; Helling, Christiane

2017-12-01

Context. Low-mass stars and extrasolar planets have ultra-cool atmospheres where a rich chemistry occurs and clouds form. The increasing amount of spectroscopic observations for extrasolar planets requires self-consistent model atmosphere simulations to consistently include the formation processes that determine cloud formation and their feedback onto the atmosphere. Aims: Our aim is to complement the MARCS model atmosphere suit with simulations applicable to low-mass stars and exoplanets in preparation of E-ELT, JWST, PLATO and other upcoming facilities. Methods: The MARCS code calculates stellar atmosphere models, providing self-consistent solutions of the radiative transfer and the atmospheric structure and chemistry. We combine MARCS with a kinetic model that describes cloud formation in ultra-cool atmospheres (seed formation, growth/evaporation, gravitational settling, convective mixing, element depletion). Results: We present a small grid of self-consistently calculated atmosphere models for Teff = 2000-3000 K with solar initial abundances and log (g) = 4.5. Cloud formation in stellar and sub-stellar atmospheres appears for Teff < 2700 K and has a significant effect on the structure and the spectrum of the atmosphere for Teff < 2400 K. We have compared the synthetic spectra of our models with observed spectra and found that they fit the spectra of mid- to late-type M-dwarfs and early-type L-dwarfs well. The geometrical extension of the atmospheres (at τ = 1) changes with wavelength resulting in a flux variation of 10%. This translates into a change in geometrical extension of the atmosphere of about 50 km, which is the quantitative basis for exoplanetary transit spectroscopy. We also test DRIFT-MARCS for an example exoplanet and demonstrate that our simulations reproduce the Spitzer observations for WASP-19b rather well for Teff = 2600 K, log (g) = 3.2 and solar abundances. Our model points at an exoplanet with a deep cloud-free atmosphere with a substantial day-night energy transport and no temperature inversion.

Self-Assembly Behavior of Amphiphilic Janus Dendrimers in Water: A Combined Experimental and Coarse-Grained Molecular Dynamics Simulation Approach.

PubMed

Elizondo-García, Mariana E; Márquez-Miranda, Valeria; Araya-Durán, Ingrid; Valencia-Gallegos, Jesús A; González-Nilo, Fernando D

2018-04-21

Amphiphilic Janus dendrimers (JDs) are repetitively branched molecules with hydrophilic and hydrophobic components that self-assemble in water to form a variety of morphologies, including vesicles analogous to liposomes with potential pharmaceutical and medical application. To date, the self-assembly of JDs has not been fully investigated thus it is important to gain insight into its mechanism and dependence on JDs’ molecular structure. In this study, the aggregation behavior in water of a second-generation bis-MPA JD was evaluated using experimental and computational methods. Dispersions of JDs in water were carried out using the thin-film hydration and ethanol injection methods. Resulting assemblies were characterized by dynamic light scattering, confocal microscopy, and atomic force microscopy. Furthermore, a coarse-grained molecular dynamics (CG-MD) simulation was performed to study the mechanism of JDs aggregation. The obtaining of assemblies in water with no interdigitated bilayers was confirmed by the experimental characterization and CG-MD simulation. Assemblies with dendrimersome characteristics were obtained using the ethanol injection method. The results of this study establish a relationship between the molecular structure of the JD and the properties of its aggregates in water. Thus, our findings could be relevant for the design of novel JDs with tailored assemblies suitable for drug delivery systems.

Towards a fully kinetic 3D electromagnetic particle-in-cell model of streamer formation and dynamics in high-pressure electronegative gases

NASA Astrophysics Data System (ADS)

Rose, D. V.; Welch, D. R.; Clark, R. E.; Thoma, C.; Zimmerman, W. R.; Bruner, N.; Rambo, P. K.; Atherton, B. W.

2011-09-01

Streamer and leader formation in high pressure devices is dynamic process involving a broad range of physical phenomena. These include elastic and inelastic particle collisions in the gas, radiation generation, transport and absorption, and electrode interactions. Accurate modeling of these physical processes is essential for a number of applications, including high-current, laser-triggered gas switches. Towards this end, we present a new 3D implicit particle-in-cell simulation model of gas breakdown leading to streamer formation in electronegative gases. The model uses a Monte Carlo treatment for all particle interactions and includes discrete photon generation, transport, and absorption for ultra-violet and soft x-ray radiation. Central to the realization of this fully kinetic particle treatment is an algorithm that manages the total particle count by species while preserving the local momentum distribution functions and conserving charge [D. R. Welch, T. C. Genoni, R. E. Clark, and D. V. Rose, J. Comput. Phys. 227, 143 (2007)]. The simulation model is fully electromagnetic, making it capable of following, for example, the evolution of a gas switch from the point of laser-induced localized breakdown of the gas between electrodes through the successive stages of streamer propagation, initial electrode current connection, and high-current conduction channel evolution, where self-magnetic field effects are likely to be important. We describe the model details and underlying assumptions used and present sample results from 3D simulations of streamer formation and propagation in SF6.

Self-rotations in simulated microgravity: performance effects of strategy training.

PubMed

Stirling, Leia; Newman, Dava; Willcox, Karen

2009-01-01

This research studies reorientation methodologies in a simulated microgravity environment using an experimental framework to reduce astronaut adaptation time and provide for a safety countermeasure during extravehicular activity. There were 20 subjects (10 men, 10 women, mean age of 23.6 +/- 3.5) who were divided into 2 groups, fully trained and minimally trained, which determined the amount of motion strategy training received. Subjects performed a total of 48 rotations about their pitch, roll, and yaw axes in a suspension system that simulated microgravity. In each trial subjects either rotated 90 degrees in pitch, 90 degrees in roll, or 180 degrees in yaw. Experimental measures include subject coordination, performance time, cognitive workload assessments, and qualitative motion control strategies. Subjects in the fully trained group had better initial performance with respect to performance time and workload scores for the pitch and yaw rotations. Further, trained subjects reached a steady-state performance time in fewer trials than those with minimal training. The subjects with minimal training tended to use motions that were common in an Earth environment since no technique was provided. For roll rotations they developed motions that would have led to significant off-axis (pitch and yaw) rotations in a true microgravity environment. We have shown that certain body axes are easier to rotate about than others and that fully trained subjects had an easier time performing the body rotations than the minimally trained subjects. This study has provided the groundwork for the development of an astronaut motion-control training program.

3D Hall MHD-EPIC Simulations of Ganymede's Magnetosphere

NASA Astrophysics Data System (ADS)

Zhou, H.; Toth, G.; Jia, X.

2017-12-01

Fully kinetic modeling of a complete 3D magnetosphere is still computationally expensive and not feasible on current computers. While magnetohydrodynamic (MHD) models have been successfully applied to a wide range of plasma simulation, they cannot capture some important kinetic effects. We have recently developed a new modeling tool to embed the implicit particle-in-cell (PIC) model iPIC3D into the Block-Adaptive-Tree-Solarwind-Roe-Upwind-Scheme (BATS-R-US) magnetohydrodynamic model. This results in a kinetic model of the regions where kinetic effects are important. In addition to the MHD-EPIC modeling of the magnetosphere, the improved model presented here is now able to represent the moon as a resistive body. We use a stretched spherical grid with adaptive mesh refinement (AMR) to capture the resistive body and its boundary. A semi-implicit scheme is employed for solving the magnetic induction equation to allow time steps that are not limited by the resistivity. We have applied the model to Ganymede, the only moon in the solar system known to possess a strong intrinsic magnetic field, and included finite resistivity beneath the moon`s surface to model the electrical properties of the interior in a self-consistent manner. The kinetic effects of electrons and ions on the dayside magnetopause and tail current sheet are captured with iPIC3D. Magnetic reconnections under different upstream background conditions of several Galileo flybys are simulated to study the global reconnection rate and the magnetospheric dynamics

Temperature for a dynamic spin ensemble

NASA Astrophysics Data System (ADS)

Ma, Pui-Wai; Dudarev, S. L.; Semenov, A. A.; Woo, C. H.

2010-09-01

In molecular dynamics simulations, temperature is evaluated, via the equipartition principle, by computing the mean kinetic energy of atoms. There is no similar recipe yet for evaluating temperature of a dynamic system of interacting spins. By solving semiclassical Langevin spin-dynamics equations, and applying the fluctuation-dissipation theorem, we derive an equation for the temperature of a spin ensemble, expressed in terms of dynamic spin variables. The fact that definitions for the kinetic and spin temperatures are fully consistent is illustrated using large-scale spin dynamics and spin-lattice dynamics simulations.

Lattice dynamics of solid N2 with an ab initio intermolecular potential

NASA Astrophysics Data System (ADS)

Luty, T.; van der Avoird, A.; Berns, R. M.

1980-11-01

We have performed harmonic and self-consistent phonon lattice dynamics calculations for α and γ N2 crystals using an intermolecular potential from ab initio calculations. This potential contains electrostatic (multipole) interactions, up to all R-9 terms inclusive, anisotropic dispersion interactions up to all R-10 terms inclusive, and anisotropic overlap interactions caused by charge penetration and exchange between the molecules. The lattice constants, cohesion energy, the frequencies of the translational phonon modes and the Grüneisen parameters for the librational modes are in good agreement with experimental values, confirming the quality of the potential. The frequencies of the librational modes and those of the mixed modes are less well reproduced, especially at temperatures near the α-β phase transition. Probably, the self-consistent phonon method used does not fully account for the anharmonicity in the librations.

Conservatives report, but liberals display, greater happiness.

PubMed

Wojcik, Sean P; Hovasapian, Arpine; Graham, Jesse; Motyl, Matt; Ditto, Peter H

2015-03-13

Research suggesting that political conservatives are happier than political liberals has relied exclusively on self-report measures of subjective well-being. We show that this finding is fully mediated by conservatives' self-enhancing style of self-report (study 1; N = 1433) and then describe three studies drawing from "big data" sources to assess liberal-conservative differences in happiness-related behavior (studies 2 to 4; N = 4936). Relative to conservatives, liberals more frequently used positive emotional language in their speech and smiled more intensely and genuinely in photographs. Our results were consistent across large samples of online survey takers, U.S. politicians, Twitter users, and LinkedIn users. Our findings illustrate the nuanced relationship between political ideology, self-enhancement, and happiness and illuminate the contradictory ways that happiness differences can manifest across behavior and self-reports. Copyright © 2015, American Association for the Advancement of Science.

Fully kinetic simulations of dense plasma focus Z-pinch devices.

PubMed

Schmidt, A; Tang, V; Welch, D

2012-11-16

Dense plasma focus Z-pinch devices are sources of copious high energy electrons and ions, x rays, and neutrons. The mechanisms through which these physically simple devices generate such high-energy beams in a relatively short distance are not fully understood. We now have, for the first time, demonstrated a capability to model these plasmas fully kinetically, allowing us to simulate the pinch process at the particle scale. We present here the results of the initial kinetic simulations, which reproduce experimental neutron yields (~10(7)) and high-energy (MeV) beams for the first time. We compare our fluid, hybrid (kinetic ions and fluid electrons), and fully kinetic simulations. Fluid simulations predict no neutrons and do not allow for nonthermal ions, while hybrid simulations underpredict neutron yield by ~100x and exhibit an ion tail that does not exceed 200 keV. Only fully kinetic simulations predict MeV-energy ions and experimental neutron yields. A frequency analysis in a fully kinetic simulation shows plasma fluctuations near the lower hybrid frequency, possibly implicating lower hybrid drift instability as a contributor to anomalous resistivity in the plasma.

Nature of self-diffusion in two-dimensional fluids

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

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. Here, we numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(more » $$t\\sqrt{In t)}$$ however with a rescaled time.« less

Nature of self-diffusion in two-dimensional fluids

DOE PAGES

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho; ...

2017-12-18

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. Here, we numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(more » $$t\\sqrt{In t)}$$ however with a rescaled time.« less

Does self-efficacy influence recovery and well-being in osteoarthritis patients undergoing joint replacement? A systematic review.

PubMed

Magklara, Eleni; Burton, Christopher R; Morrison, Val

2014-09-01

To investigate the role of self-efficacy in functional recovery and well-being outcomes in osteoarthritis patients, undergoing hip or knee replacement surgery. Studies were identified using MEDLINE via PUB med, PsycINFO and CINAHL from inception to July 2013. Three search strategies that combined key terms of 'self-efficacy', 'functional recovery', 'well-being' and 'joint replacement' were applied. Titles and abstracts were screened for eligibility and, accordingly, potentially eligible studies were retrieved for review. Included studies were assessed in terms of their quality, and data were extracted by two independent reviewers. A narrative synthesis of results was conducted. In total, 836 articles were identified and after electronic de-duplication, 708 articles remained. After screening 15 articles were retrieved as potentially eligible and eight articles were included in the review. Of the eight studies (n = 967 patients), seven had a prospective design and all studies were considered of good quality. No fully conclusive evidence for the influence of self-efficacy upon functional recovery outcomes was found. When the timing of self-efficacy measurement was examined, post-operative self-efficacy was found to be related to functional recovery outcomes. Presurgical self-efficacy was the least consistent predictor of functional outcomes while postoperative self-efficacy was more consistently associated with recovery outcomes such as longer distance ambulation, exercise repetition and frequency, walking speed and disability. © The Author(s) 2014.

A quantitative approach to evaluating caring in nursing simulation.

PubMed

Eggenberger, Terry L; Keller, Kathryn B; Chase, Susan K; Payne, Linda

2012-01-01

This study was designed to test a quantitative method of measuring caring in the simulated environment. Since competency in caring is central to nursing practice, ways of including caring concepts in designing scenarios and in evaluation of performance need to be developed. Coates' Caring Efficacy scales were adapted for simulation and named the Caring Efficacy Scale-Simulation Student Version (CES-SSV) and Caring Efficacy Scale-Simulation Faculty Version (CES-SFV). A correlational study was designed to compare student self-ratings with faculty ratings on caring efficacy during an adult acute simulation experience with traditional and accelerated baccalaureate students in a nursing program grounded in caring theory. Student self-ratings were significantly correlated with objective ratings (r = 0.345, 0.356). Both the CES-SSV and the CES-SFV were found to have excellent internal consistency and significantly correlated interrater reliability. They were useful in measuring caring in the simulated learning environment.

Comparison of self-efficacy and its improvement after artificial simulator or live animal model emergency procedure training.

PubMed

Hall, Andrew B; Riojas, Ramon; Sharon, Danny

2014-03-01

The objective of this study is to compare post-training self-efficacy between artificial simulators and live animal training for the performance of emergency medical procedures. Volunteer airmen of the 81st Medical Group, without prior medical procedure training, were randomly assigned to two experimental arms consisting of identical lectures and training of diagnostic peritoneal lavage, thoracostomy (chest tube), and cricothyroidotomy on either the TraumaMan (Simulab Corp., Seattle, Washington) artificial simulator or a live pig (Sus scrofa domestica) model. Volunteers were given a postlecture and postskills training assessment of self-efficacy. Twenty-seven volunteers that initially performed artificial simulator training subsequently underwent live animal training and provided assessments comparing both modalities. The results were first, postskills training self-efficacy scores were significantly higher than postlecture scores for either training mode and for all procedures (p < 0.0001). Second, post-training self-efficacy scores were not statistically different between live animal and artificial simulator training for diagnostic peritoneal lavage (p = 0.555), chest tube (p = 0.486), and cricothyroidotomy (p = 0.329). Finally, volunteers undergoing both training modalities indicated preference for live animal training (p < 0.0001). We conclude that artificial simulator and live animal training produce equivalent levels of self-efficacy after initial training, but there is a preference in using a live animal model to achieve those skills. Reprint & Copyright © 2014 Association of Military Surgeons of the U.S.

Self-Consistent Field Lattice Model for Polymer Networks.

PubMed

Tito, Nicholas B; Storm, Cornelis; Ellenbroek, Wouter G

2017-12-26

A lattice model based on polymer self-consistent field theory is developed to predict the equilibrium statistics of arbitrary polymer networks. For a given network topology, our approach uses moment propagators on a lattice to self-consistently construct the ensemble of polymer conformations and cross-link spatial probability distributions. Remarkably, the calculation can be performed "in the dark", without any prior knowledge on preferred chain conformations or cross-link positions. Numerical results from the model for a test network exhibit close agreement with molecular dynamics simulations, including when the network is strongly sheared. Our model captures nonaffine deformation, mean-field monomer interactions, cross-link fluctuations, and finite extensibility of chains, yielding predictions that differ markedly from classical rubber elasticity theory for polymer networks. By examining polymer networks with different degrees of interconnectivity, we gain insight into cross-link entropy, an important quantity in the macroscopic behavior of gels and self-healing materials as they are deformed.

Kinematic Evolution of Simulated Star-Forming Galaxies

NASA Technical Reports Server (NTRS)

Kassin, Susan A.; Brooks, Alyson; Governato, Fabio; Weiner, Benjamin J.; Gardner, Jonathan P.

2014-01-01

Recent observations have shown that star-forming galaxies like our own Milky Way evolve kinematically into ordered thin disks over the last approximately 8 billion years since z = 1.2, undergoing a process of "disk settling." For the first time, we study the kinematic evolution of a suite of four state of the art "zoom in" hydrodynamic simulations of galaxy formation and evolution in a fully cosmological context and compare with these observations. Until now, robust measurements of the internal kinematics of simulated galaxies were lacking as the simulations suffered from low resolution, overproduction of stars, and overly massive bulges. The current generation of simulations has made great progress in overcoming these difficulties and is ready for a kinematic analysis. We show that simulated galaxies follow the same kinematic trends as real galaxies: they progressively decrease in disordered motions (sigma(sub g)) and increase in ordered rotation (V(sub rot)) with time. The slopes of the relations between both sigma(sub g) and V(sub rot) with redshift are consistent between the simulations and the observations. In addition, the morphologies of the simulated galaxies become less disturbed with time, also consistent with observations. This match between the simulated and observed trends is a significant success for the current generation of simulations, and a first step in determining the physical processes behind disk settling.

Simulation of Mirror Electron Microscopy Caustic Images in Three-Dimensions

NASA Astrophysics Data System (ADS)

Kennedy, S. M.; Zheng, C. X.; Jesson, D. E.

A full, three-dimensional (3D) ray tracing approach is developed to simulate the caustics visible in mirror electron microscopy (MEM). The method reproduces MEM image contrast resulting from 3D surface relief. To illustrate the potential of the simulation methods, we study the evolution of crater contrast associated with a movie of GaAs structures generated by the droplet epitaxy technique. Specifically, we simulate the image contrast resulting from both a precursor stage and the final crater morphology which is consistent with an inverted pyramid consisting of (111) facet walls. The method therefore facilities the study of how self-assembled quantum structures evolve with time and, in particular, the development of anisotropic features including faceting.

Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

NASA Astrophysics Data System (ADS)

Lyutorovich, N.; Tselyaev, V.; Speth, J.; Krewald, S.; Grümmer, F.; Reinhard, P.-G.

2015-10-01

We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree-Fock ground state and the excitation spectra within random-phase approximation (RPA) and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA). All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.

Force-velocity relation for actin-polymerization-driven motility from Brownian dynamics simulations.

PubMed

Lee, Kun-Chun; Liu, Andrea J

2009-09-02

We report numerical simulation results for the force-velocity relation for actin-polymerization-driven motility. We use Brownian dynamics to solve a physically consistent formulation of the dendritic nucleation model with semiflexible filaments that self-assemble and push a disk. We find that at small loads, the disk speed is independent of load, whereas at high loads, the speed decreases and vanishes at a characteristic stall pressure. Our results demonstrate that at small loads, the velocity is controlled by the reaction rates, whereas at high loads the stall pressure is determined by the mechanical properties of the branched actin network. The behavior is consistent with experiments and with our recently proposed self-diffusiophoretic mechanism for actin-polymerization-driven motility. New in vitro experiments to measure the force-velocity relation are proposed.

Direct numerical simulation of human phonation

NASA Astrophysics Data System (ADS)

Saurabh, Shakti; Bodony, Daniel

2016-11-01

A direct numerical simulation study of the generation and propagation of the human voice in a full-body domain is conducted. A fully compressible fluid flow model, anatomically representative vocal tract geometry, finite deformation model for vocal fold (VF) motion and a fully coupled fluid-structure interaction model are employed. The dynamics of the multi-layered VF tissue with varying stiffness are solved using a quadratic finite element code. The fluid-solid domains are coupled through a boundary-fitted interface and utilize a Poisson equation-based mesh deformation method. A new inflow boundary condition, based upon a quasi-1D formulation with constant sub-glottal volume velocity, linked to the VF movement, has been adopted. Simulations for both child and adult phonation were performed. Acoustic characteristics obtained from these simulation are consistent with expected values. A sensitivity analysis based on VF stiffness variation is undertaken and sound pressure level/fundamental frequency trends are established. An evaluation of the data against the commonly-used quasi-1D equations suggest that the latter are not sufficient to model phonation. Phonation threshold pressures are measured for several VF stiffness variations and comparisons to clinical data are carried out. Supported by the National Science Foundation (CAREER Award Number 1150439).

Heinrich events simulated across the glacial

NASA Astrophysics Data System (ADS)

Ziemen, F. A.; Mikolajewicz, U.

2015-12-01

Heinrich events are among the most prominent climate change events recorded in proxies across the northern hemisphere. They are the archetype of ice sheet — climate interactions on millennial time scales. Nevertheless, the exact mechanisms that cause Heinrich events are still under discussion, and their climatic consequences are far from being fully understood. We contribute to answering the open questions by studying Heinrich events in a coupled ice sheet model (ISM) atmosphere-ocean-vegetation general circulation model (AOVGCM) framework, where this variability occurs as part of the model generated internal variability. The setup consists of a northern hemisphere setup of the modified Parallel Ice Sheet Model (mPISM) coupled to the global AOVGCM ECHAM5/MPIOM/LPJ. The simulations were performed fully coupled and with transient orbital and greenhouse gas forcing. They span from several millennia before the last glacial maximum into the deglaciation. We analyze simulations where the ISM is coupled asynchronously to the AOVGCM and simulations where the ISM and the ocean model are coupled synchronously and the atmosphere model is coupled asynchronously to them. The modeled Heinrich events show a marked influence of the ice discharge on the Atlantic circulation and heat transport.

Particle-In-Cell simulations of electron beam microbunching instability in three dimensions

NASA Astrophysics Data System (ADS)

Huang, Chengkun; Zeng, Y.; Meyers, M. D.; Yi, S.; Albright, B. J.; Kwan, T. J. T.

2013-10-01

Microbunching instability due to Coherent Synchrotron Radiation (CSR) in a magnetic chicane is one of the major effects that can degrade the electron beam quality in an X-ray Free Electron Laser. Self-consistent simulation using the Particle-In-Cell (PIC) method for the CSR fields of the beam and their effects on beam dynamics have been elusive due to the excessive dispersion error on the grid. We have implemented a high-order finite-volume PIC scheme that models the propagation of the CSR fields accurately. This new scheme is characterized and optimized through a detailed dispersion analysis. The CSR fields from our improved PIC calculation are compared to the extended CSR numerical model based on the Lienard-Wiechert formula in 2D/3D. We also conduct beam dynamics simulation of the microbunching instability using our new PIC capability. Detailed self-consistent PIC simulations of the CSR fields and beam dynamics will be presented and discussed. Work supported by the U.S. Department of Energy through the LDRD program at Los Alamos National Laboratory.

Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems.

PubMed

Zhu, You-Liang; Lu, Zhong-Yuan; Milano, Giuseppe; Shi, An-Chang; Sun, Zhao-Yan

2016-04-14

To achieve simulations on large spatial and temporal scales with high molecular chemical specificity, a hybrid particle-field method was proposed recently. This method is developed by combining molecular dynamics and self-consistent field theory (MD-SCF). The MD-SCF method has been validated by successfully predicting the experimentally observable properties of several systems. Here we propose an efficient scheme for the inclusion of electrostatic interactions in the MD-SCF framework. In this scheme, charged molecules are interacting with the external fields that are self-consistently determined from the charge densities. This method is validated by comparing the structural properties of polyelectrolytes in solution obtained from the MD-SCF and particle-based simulations. Moreover, taking PMMA-b-PEO and LiCF3SO3 as examples, the enhancement of immiscibility between the ion-dissolving block and the inert block by doping lithium salts into the copolymer is examined by using the MD-SCF method. By employing GPU-acceleration, the high performance of the MD-SCF method with explicit treatment of electrostatics facilitates the simulation study of many problems involving polyelectrolytes.

Theoretical Technology Research for the International Solar Terrestrial Physics (ISTP) Program

NASA Technical Reports Server (NTRS)

Ashour-Abdalla, Maha; Curtis, Steve (Technical Monitor)

2002-01-01

During the last four years the UCLA (University of California, Los Angeles) IGPP (Institute of Geophysics and Planetary Physics) Space Plasma Simulation Group has continued its theoretical effort to develop a Mission Oriented Theory (MOT) for the International Solar Terrestrial Physics (ISTP) program. This effort has been based on a combination of approaches: analytical theory, large-scale kinetic (LSK) calculations, global magnetohydrodynamic (MHD) simulations and self-consistent plasma kinetic (SCK) simulations. These models have been used to formulate a global interpretation of local measurements made by the ISTP spacecraft. The regions of applications of the MOT cover most of the magnetosphere: solar wind, low- and high- latitude magnetospheric boundary, near-Earth and distant magnetotail, and auroral region. Most recent investigations include: plasma processes in the electron foreshock, response of the magnetospheric cusp, particle entry in the magnetosphere, sources of observed distribution functions in the magnetotail, transport of oxygen ions, self-consistent evolution of the magnetotail, substorm studies, effects of explosive reconnection, and auroral acceleration simulations. A complete list of the activities completed under the grant follow.

Dynamics and Self-consistent Chaos in a Mean Field Hamiltonian Model

NASA Astrophysics Data System (ADS)

del-Castillo-Negrete, Diego

We study a mean field Hamiltonian model that describes the collective dynamics of marginally stable fluids and plasmas in the finite N and N-> infty kinetic limit (where N is the number of particles). The linear stability of equilibria in the kinetic model is studied as well as the initial value problem including Landau damping . Numerical simulations show the existence of coherent, rotating dipole states. We approximate the dipole as two macroparticles and show that the N=2 limit has a family of rotating integrable solutions that provide an accurate description of the dynamics. We discuss the role of self-consistent Hamiltonian chaos in the formation of coherent structures, and discuss a mechanism of "violent" mixing caused by a self-consistent elliptic-hyperbolic bifurcation in phase space.

Coarse-Graining Polymer Field Theory for Fast and Accurate Simulations of Directed Self-Assembly

NASA Astrophysics Data System (ADS)

Liu, Jimmy; Delaney, Kris; Fredrickson, Glenn

To design effective manufacturing processes using polymer directed self-assembly (DSA), the semiconductor industry benefits greatly from having a complete picture of stable and defective polymer configurations. Field-theoretic simulations are an effective way to study these configurations and predict defect populations. Self-consistent field theory (SCFT) is a particularly successful theory for studies of DSA. Although other models exist that are faster to simulate, these models are phenomenological or derived through asymptotic approximations, often leading to a loss of accuracy relative to SCFT. In this study, we employ our recently-developed method to produce an accurate coarse-grained field theory for diblock copolymers. The method uses a force- and stress-matching strategy to map output from SCFT simulations into parameters for an optimized phase field model. This optimized phase field model is just as fast as existing phenomenological phase field models, but makes more accurate predictions of polymer self-assembly, both in bulk and in confined systems. We study the performance of this model under various conditions, including its predictions of domain spacing, morphology and defect formation energies. Samsung Electronics.

A model for self-diffusion of guanidinium-based ionic liquids: a molecular simulation study.

PubMed

Klähn, Marco; Seduraman, Abirami; Wu, Ping

2008-11-06

We propose a novel self-diffusion model for ionic liquids on an atomic level of detail. The model is derived from molecular dynamics simulations of guanidinium-based ionic liquids (GILs) as a model case. The simulations are based on an empirical molecular mechanical force field, which has been developed in our preceding work, and it relies on the charge distribution in the actual liquid. The simulated GILs consist of acyclic and cyclic cations that were paired with nitrate and perchlorate anions. Self-diffusion coefficients are calculated at different temperatures from which diffusive activation energies between 32-40 kJ/mol are derived. Vaporization enthalpies between 174-212 kJ/mol are calculated, and their strong connection with diffusive activation energies is demonstrated. An observed formation of cavities in GILs of up to 6.5% of the total volume does not facilitate self-diffusion. Instead, the diffusion of ions is found to be determined primarily by interactions with their immediate environment via electrostatic attraction between cation hydrogen and anion oxygen atoms. The calculated average time between single diffusive transitions varies between 58-107 ps and determines the speed of diffusion, in contrast to diffusive displacement distances, which were found to be similar in all simulated GILs. All simulations indicate that ions diffuse by using a brachiation type of movement: a diffusive transition is initiated by cleaving close contacts to a coordinated counterion, after which the ion diffuses only about 2 A until new close contacts are formed with another counterion in its vicinity. The proposed diffusion model links all calculated energetic and dynamic properties of GILs consistently and explains their molecular origin. The validity of the model is confirmed by providing an explanation for the variation of measured ratios of self-diffusion coefficients of cations and paired anions over a wide range of values, encompassing various ionic liquid classes as well as the simulated GILs. The proposed diffusion model facilitates the qualitative a priori prediction of the impact of ion modifications on the diffusive characteristics of new ionic liquids.

Flexwall Hydraulic Hose Replacement in the NASA Glenn 10- by 10-Foot Supersonic Propulsion Wind Tunnel

NASA Technical Reports Server (NTRS)

Smith, Larry E.; Roeder, James W.; Linne, Alan A.; Klann, Gary A.

2003-01-01

The space-time conservation-element and solution-element method is employed to numerically study the near-field screech-tone noise of a typical underexpanded circular jet issuing from a sonic nozzle. Both axisymmetric and fully three-dimensional computations are carried out. The self-sustained feedback loop is properly simulated. The computed shock-cell structure, acoustic wave length, screech-tone frequency, and sound-pressure levels are in good agreement with existing experimental results.

First results of coupled IPS/NIMROD/GENRAY simulations

NASA Astrophysics Data System (ADS)

Jenkins, Thomas; Kruger, S. E.; Held, E. D.; Harvey, R. W.; Elwasif, W. R.; Schnack, D. D.

2010-11-01

The Integrated Plasma Simulator (IPS) framework, developed by the SWIM Project Team, facilitates self-consistent simulations of complicated plasma behavior via the coupling of various codes modeling different spatial/temporal scales in the plasma. Here, we apply this capability to investigate the stabilization of tearing modes by ECCD. Under IPS control, the NIMROD code (MHD) evolves fluid equations to model bulk plasma behavior, while the GENRAY code (RF) calculates the self-consistent propagation and deposition of RF power in the resulting plasma profiles. GENRAY data is then used to construct moments of the quasilinear diffusion tensor (induced by the RF) which influence the dynamics of momentum/energy evolution in NIMROD's equations. We present initial results from these coupled simulations and demonstrate that they correctly capture the physics of magnetic island stabilization [Jenkins et al, PoP 17, 012502 (2010)] in the low-beta limit. We also discuss the process of code verification in these simulations, demonstrating good agreement between NIMROD and GENRAY predictions for the flux-surface-averaged, RF-induced currents. An overview of ongoing model development (synthetic diagnostics/plasma control systems; neoclassical effects; etc.) is also presented. Funded by US DoE.

MODELING THE RISE OF FIBRIL MAGNETIC FIELDS IN FULLY CONVECTIVE STARS

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

Weber, Maria A.; Browning, Matthew K., E-mail: mweber@astro.ex.ac.uk

Many fully convective stars exhibit a wide variety of surface magnetism, including starspots and chromospheric activity. The manner by which bundles of magnetic field traverse portions of the convection zone to emerge at the stellar surface is not especially well understood. In the solar context, some insight into this process has been gleaned by regarding the magnetism as consisting partly of idealized thin flux tubes (TFTs). Here we present the results of a large set of TFT simulations in a rotating spherical domain of convective flows representative of a 0.3 M {sub ⊙} main-sequence star. This is the first studymore » to investigate how individual flux tubes in such a star might rise under the combined influence of buoyancy, convection, and differential rotation. A time-dependent hydrodynamic convective flow field, taken from separate 3D simulations calculated with the anelastic equations, impacts the flux tube as it rises. Convective motions modulate the shape of the initially buoyant flux ring, promoting localized rising loops. Flux tubes in fully convective stars have a tendency to rise nearly parallel to the rotation axis. However, the presence of strong differential rotation allows some initially low-latitude flux tubes of moderate strength to develop rising loops that emerge in the near-equatorial region. Magnetic pumping suppresses the global rise of the flux tube most efficiently in the deeper interior and at lower latitudes. The results of these simulations aim to provide a link between dynamo-generated magnetic fields, fluid motions, and observations of starspots for fully convective stars.« less

European vegetation during Marine Oxygen Isotope Stage-3

NASA Astrophysics Data System (ADS)

Huntley, Brian; Alfano, Mary J. o.; Allen, Judy R. M.; Pollard, Dave; Tzedakis, Polychronis C.; de Beaulieu, Jacques-Louis; Grüger, Eberhard; Watts, Bill

2003-03-01

European vegetation during representative "warm" and "cold" intervals of stage-3 was inferred from pollen analytical data. The inferred vegetation differs in character and spatial pattern from that of both fully glacial and fully interglacial conditions and exhibits contrasts between warm and cold intervals, consistent with other evidence for stage-3 palaeoenvironmental fluctuations. European vegetation thus appears to have been an integral component of millennial environmental fluctuations during stage-3; vegetation responded to this scale of environmental change and through feedback mechanisms may have had effects upon the environment. The pollen-inferred vegetation was compared with vegetation simulated using the BIOME 3.5 vegetation model for climatic conditions simulated using a regional climate model (RegCM2) nested within a coupled global climate and vegetation model (GENESIS-BIOME). Despite some discrepancies in detail, both approaches capture the principal features of the present vegetation of Europe. The simulated vegetation for stage-3 differs markedly from that inferred from pollen analytical data, implying substantial discrepancy between the simulated climate and that actually prevailing. Sensitivity analyses indicate that the simulated climate is too warm and probably has too short a winter season. These discrepancies may reflect incorrect specification of sea surface temperature or sea-ice conditions and may be exacerbated by vegetation-climate feedback in the coupled global model.

Southern Ocean Open Ocean Polynyas in Observations and from a Low- and a High-Resolution Fully-Coupled Earth System Model Simulation

NASA Astrophysics Data System (ADS)

Veneziani, C.; Kurtakoti, P. K.; Weijer, W.; Stoessel, A.

2016-12-01

In contrast to their better known coastal counterpart, open ocean polynyas (OOPs) form through complex driving mechanisms, involving pre-conditioning of the water column, external forcing and internal ocean dynamics, and are therefore much more elusive and less predictable than coastal polynyas. Yet, their impact on bottom water formation and the Meridional Overturning Circulation could prove substantial. Here, we characterize the formation of Southern Ocean OOPs by analyzing the full satellite NASA microwave imager and radiometer (SSMI/SMMR) data record from 1972 to present day. We repeat the same analysis within the low-resolution (LR) and high-resolution (HR) fully-coupled Earth System Model simulations that are part of the Accelerated Climate Model for Energy (ACME) v0 baseline experiments. The focus is on two OOPs that are more consistently seen in observations: the Maud Rise and the Weddell Sea polynyas. Results show that the LR simulation is unable to reproduce any OOP over the 195 years of its duration, while both Maud Rise and Weddell Sea polynyas are seen in the HR simulation, with extents similar to observations'. We explore possible mechanisms that would explain the asymmetric behavior, including topographic processes, eddy shedding events, and different water column stratification between the two simulations.

Modeling meander morphodynamics over self-formed heterogeneous floodplains

NASA Astrophysics Data System (ADS)

Bogoni, Manuel; Putti, Mario; Lanzoni, Stefano

2017-06-01

This work addresses the signatures embedded in the planform geometry of meandering rivers consequent to the formation of floodplain heterogeneities as the river bends migrate. Two geomorphic features are specifically considered: scroll bars produced by lateral accretion of point bars at convex banks and oxbow lake fills consequent to neck cutoffs. The sedimentary architecture of these geomorphic units depends on the type and amount of sediment, and controls bank erodibility as the river impinges on them, favoring or contrasting the river migration. The geometry of numerically generated planforms obtained for different scenarios of floodplain heterogeneity is compared to that of natural meandering paths. Half meander metrics and spatial distribution of channel curvatures are used to disclose the complexity embedded in meandering geometry. Fourier Analysis, Principal Component Analysis, Singular Spectrum Analysis and Multivariate Singular Spectrum Analysis are used to emphasize the subtle but crucial differences which may emerge between apparently similar configurations. A closer similarity between observed and simulated planforms is attained when fully coupling flow and sediment dynamics (fully-coupled models) and when considering self-formed heterogeneities that are less erodible than the surrounding floodplain.

Investigating EMIC Wave Dynamics with RAM-SCB-E

NASA Astrophysics Data System (ADS)

Jordanova, V. K.; Fu, X.; Henderson, M. G.; Morley, S.; Welling, D. T.; Yu, Y.

2017-12-01

The distribution of ring current ions and electrons in the inner magnetosphere depends strongly on their transport in realistic electric (E) and magnetic (B) fields and concurrent energization or loss. To investigate the high variability of energetic particle (H+, He+, O+, and electron) fluxes during storms selected by the GEM Surface Charging Challenge, we use our kinetic ring current model (RAM) two-way coupled with a 3-D magnetic field code (SCB). This model was just extended to include electric field calculations, making it a unique, fully self-consistent, anisotropic ring current-atmosphere interactions model, RAM-SCB-E. Recently we investigated electromagnetic ion cyclotron (EMIC) instability in a local plasma using both linear theory and nonlinear hybrid simulations and derived a scaling formula that relates the saturation EMIC wave amplitude to initial plasma conditions. Global dynamic EMIC wave maps obtained with our RAM-SCB-E model using this scaling will be presented and compared with statistical models. These plasma waves can affect significantly both ion and electron precipitation into the atmosphere and the subsequent patterns of ionospheric conductance, as well as the global ring current dynamics.

Galactic scale gas flows in colliding galaxies: 3-dimensional, N-body/hydrodynamics experiments

NASA Technical Reports Server (NTRS)

Lamb, Susan A.; Gerber, Richard A.; Balsara, Dinshaw S.

1994-01-01

We present some results from three dimensional computer simulations of collisions between models of equal mass galaxies, one of which is a rotating, disk galaxy containing both gas and stars and the other is an elliptical containing stars only. We use fully self consistent models in which the halo mass is 2.5 times that of the disk. In the experiments we have varied the impact parameter between zero (head on) and 0.9R (where R is the radius of the disk), for impacts perpendicular to the disk plane. The calculations were performed on a Cray 2 computer using a combined N-body/smooth particle hydrodynamics (SPH) program. The results show the development of complicated flows and shock structures in the direction perpendicular to the plane of the disk and the propagation outwards of a density wave in both the stars and the gas. The collisional nature of the gas results in a sharper ring than obtained for the star particles, and the development of high volume densities and shocks.

Non-thermal electron distribution functions through 3D magnetic reconnection instabilities in the solar wind

NASA Astrophysics Data System (ADS)

Alejandro Munoz Sepulveda, Patricio; Buechner, Joerg

2017-04-01

The effects of kinetic instabilities on the solar wind electron velocity distribution functions (eVDFs) are mostly well understood under local homogeneous and stationary conditions. But the solar wind also contains current sheets, which affect the local properties of instabilities, turbulence and thus the observed non-maxwellian features in the eVDFs. Those processes are vastly unexplored. Therefore, we aim to investigate the influence of self-consistently generated turbulence via electron-scale instabilities in reconnecting current sheets on the formation of suprathermal features in the eVDFs. For this sake, we carry out 3D fully-kinetic Particle-in-Cell code numerical simulations of force free current sheets with a guide magnetic field. We find extended tails, anisotropic plateaus and non-gyrotropic features in the eVDFs, correlated with the locations and time where micro-turbulence is enhanced in the current sheet due to current-aligned streaming instabilities. We also discuss the influence of the plasma parameters, such as the ion to electron temperature ratio, on the excitation of current sheet instabilities and their effect on the properties of the eVDFs.

The reliability of prayer-based self-efficacy scale to assess self-confidence of Muslims with low back pain.

PubMed

Al-Obaidi, Saud; Wall, James C; Mulekar, Madhuri S; Al-Mutairie, Rebecca

2012-06-01

Low back pain (LBP) may challenge an individual's self-confidence to perform usual daily activities such as Islamic daily prayer. Existing self-efficacy scales may not be appropriate to assess individual's self-confidence to perform Islamic prayers. This study aimed to develop a scale to assess self-confidence to prepare and perform Islamic prayer in the presence of LBP, the Islamic Prayer-based Self-efficacy Scale (IpbSeS), and to determine its consistency. The IpbSeS consists of three parts: pre-prayer preparation, getting to and from the mosque, and positions and movements during prayer. On a scale of 0 to 6, 0 indicates 'not at all confident' and 6 'fully confident'. Sixty individuals with LBP gave their responses on two different visits. Pain intensity was assessed by the Visual Analogue Scale (VAS), and the pain intensity changes were assessed using a seven-point global patient rating scale. Descriptive statistics, Pearson's correlation coefficient, Wilcoxon test and t-test were used in the analysis (alpha set at 0.05). VAS scores did not differ significantly between visits. No association was found between VAS and age (r = 0.039, p = 0.77) and between VAS and body mass index (BMI; r = 0.06, p = 0. 67). All 28 questions have consistent responses on two visits (0.75 ≤ r ≤ 0.99, p < 0.001 for all) indicating a very high reliability. IpbSeS appears to be a reliable instrument to assess the self-confidence of Muslims in the presence of LBP to pray. Copyright © 2011 John Wiley & Sons, Ltd.

GaN Microwave DC-DC Converters

NASA Astrophysics Data System (ADS)

Ramos Franco, Ignacio

Increasing the operating frequency of switching converters can have a direct impact in the miniaturization and integration of power converters. The size of energy-storage passive components and the difficulty to integrate them with the rest of the circuitry is a major challenge in the development of a fully integrated power supply on a chip. The work presented in this thesis attempts to address some of the difficulties encountered in the design of high-frequency converters by applying concepts and techniques usually used in the design of high-efficiency power amplifiers and high-efficiency rectifiers at microwave frequencies. The main focus is in the analysis, design, and characterization of dc-dc converters operating at microwave frequencies in the low gigahertz range. The concept of PA-rectifier duality, where a high-efficiency power amplifier operates as a high-efficiency rectifier is investigated through non-linear simulations and experimentally validated. Additionally, the concept of a self-synchronous rectifier, where a transistor rectifier operates synchronously without the need of a RF source or driver is demonstrated. A theoretical analysis of a class-E self-synchronous rectifier is presented and validated through non-linear simulations and experiments. Two GaN class-E2 dc-dc converters operating at a switching frequency of 1 and 1.2 GHz are demonstrated. The converters achieve 80 % and 75 % dc-dc efficiency respectively and are among the highest-frequency and highest-efficiency reported in the literature. The application of the concepts established in the analysis of a self-synchronous rectifier to a power amplifier culminated in the development of an oscillating, self-synchronous class-E 2 dc-dc converter. Finally, a proof-of-concept fully integrated GaN MMIC class-E 2 dc-dc converter switching at 4.6 GHz is demonstrated for the first time to the best of our knowledge. The 3.8 mm x 2.6 mm chip contains distributed inductors and does not require any external components. The maximum measured dc-dc efficiency is approximately 45%.

Density-dependent covariant energy density functionals

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

Lalazissis, G. A.

2012-10-20

Relativistic nuclear energy density functionals are applied to the description of a variety of nuclear structure phenomena at and away fromstability line. Isoscalar monopole, isovector dipole and isoscalar quadrupole giant resonances are calculated using fully self-consistent relativistic quasiparticle randomphase approximation, based on the relativistic Hartree-Bogoliubovmodel. The impact of pairing correlations on the fission barriers in heavy and superheavy nuclei is examined. The role of pion in constructing desnity functionals is also investigated.

Formation of Accelerated Backstreaming Particles within the Quasi-perpendicular Ion Terrestrial Foreshock: 2D Full-Particle and Test-particles simulations

NASA Astrophysics Data System (ADS)

Savoini, P.; Lembege, B.

2016-12-01

Backstreaming ion populations are observed upstream of the Terrestrial bow shock and form the ion foreshock. Two distinct populations have been firmly identified by spacecrafts within the quasi-perpendicular shock region (i.e. for 45° ≤ ΘBn ≤ 90°, where ΘBn is the angle between the shock normal and the upstream magnetostatic field): so called (i) field-aligned ion beams (« FAB ») characterized by a gyrotropic distribution, and (ii) gyro-phase bunched ions («GPB »), characterized by a NON gyrotropic distribution.The origin of these backstreaming ions is still an important unresolved question which can be partially analyzed with the help of 2D PIC simulation of a curved shock, where full curvature effects, time of flight effects and both electrons and ions dynamics are fully included by a self consistent approach. Our previous analysis (Savoini et Lembege, 2015) has evidenced that these two populations can be generated directly by the macroscopic fields at the shock front itself. Present results based on ion trajectories analysis confirm: (i) the importance of the interaction time ΔTinter spent by ions within the shock front. "GPB" population is characterized by a very short interaction time (ΔTinter = 1 to 2 tci) in comparison to the "FAB" population (ΔTinter = 2 tci to 10 tci), where tci is the upstream ion gyroperiod. (ii) the key role of the injection angle (i.e. defined between the normal of the shock front and the gyration velocity at the time incoming ions hit the shock front) which strongly differs between FAB and GPB ions. (iii) that "FAB" ions drift along the shock front and « scan » a large ΘBn range (up to 20°) which explains the loss of their initial gyro-phase, before being re-injected into the upstream region. Moreover, our test-particule simulations evidence the importance of the shock wave profile for both the « FAB » and « GPB » populations. Such results show that the reflection process is not continuous in time and in space, but strongly depends of the local shock front profile met by incoming ions at their hitting time. The same simulations also emphasize the slight decrease of backstreaming ions density when the electric field space charge effect present within the shock front is artificially canceled. A comparison between self-consistent and test-particles results will be presented in more details.

The Monte Carlo photoionization and moving-mesh radiation hydrodynamics code CMACIONIZE

NASA Astrophysics Data System (ADS)

Vandenbroucke, B.; Wood, K.

2018-04-01

We present the public Monte Carlo photoionization and moving-mesh radiation hydrodynamics code CMACIONIZE, which can be used to simulate the self-consistent evolution of HII regions surrounding young O and B stars, or other sources of ionizing radiation. The code combines a Monte Carlo photoionization algorithm that uses a complex mix of hydrogen, helium and several coolants in order to self-consistently solve for the ionization and temperature balance at any given type, with a standard first order hydrodynamics scheme. The code can be run as a post-processing tool to get the line emission from an existing simulation snapshot, but can also be used to run full radiation hydrodynamical simulations. Both the radiation transfer and the hydrodynamics are implemented in a general way that is independent of the grid structure that is used to discretize the system, allowing it to be run both as a standard fixed grid code, but also as a moving-mesh code.

An Attachable Electromagnetic Energy Harvester Driven Wireless Sensing System Demonstrating Milling-Processes and Cutter-Wear/Breakage-Condition Monitoring.

PubMed

Chung, Tien-Kan; Yeh, Po-Chen; Lee, Hao; Lin, Cheng-Mao; Tseng, Chia-Yung; Lo, Wen-Tuan; Wang, Chieh-Min; Wang, Wen-Chin; Tu, Chi-Jen; Tasi, Pei-Yuan; Chang, Jui-Wen

2016-02-23

An attachable electromagnetic-energy-harvester driven wireless vibration-sensing system for monitoring milling-processes and cutter-wear/breakage-conditions is demonstrated. The system includes an electromagnetic energy harvester, three single-axis Micro Electro-Mechanical Systems (MEMS) accelerometers, a wireless chip module, and corresponding circuits. The harvester consisting of magnets with a coil uses electromagnetic induction to harness mechanical energy produced by the rotating spindle in milling processes and consequently convert the harnessed energy to electrical output. The electrical output is rectified by the rectification circuit to power the accelerometers and wireless chip module. The harvester, circuits, accelerometer, and wireless chip are integrated as an energy-harvester driven wireless vibration-sensing system. Therefore, this completes a self-powered wireless vibration sensing system. For system testing, a numerical-controlled machining tool with various milling processes is used. According to the test results, the system is fully self-powered and able to successfully sense vibration in the milling processes. Furthermore, by analyzing the vibration signals (i.e., through analyzing the electrical outputs of the accelerometers), criteria are successfully established for the system for real-time accurate simulations of the milling-processes and cutter-conditions (such as cutter-wear conditions and cutter-breaking occurrence). Due to these results, our approach can be applied to most milling and other machining machines in factories to realize more smart machining technologies.

An Attachable Electromagnetic Energy Harvester Driven Wireless Sensing System Demonstrating Milling-Processes and Cutter-Wear/Breakage-Condition Monitoring

PubMed Central

Chung, Tien-Kan; Yeh, Po-Chen; Lee, Hao; Lin, Cheng-Mao; Tseng, Chia-Yung; Lo, Wen-Tuan; Wang, Chieh-Min; Wang, Wen-Chin; Tu, Chi-Jen; Tasi, Pei-Yuan; Chang, Jui-Wen

2016-01-01

An attachable electromagnetic-energy-harvester driven wireless vibration-sensing system for monitoring milling-processes and cutter-wear/breakage-conditions is demonstrated. The system includes an electromagnetic energy harvester, three single-axis Micro Electro-Mechanical Systems (MEMS) accelerometers, a wireless chip module, and corresponding circuits. The harvester consisting of magnets with a coil uses electromagnetic induction to harness mechanical energy produced by the rotating spindle in milling processes and consequently convert the harnessed energy to electrical output. The electrical output is rectified by the rectification circuit to power the accelerometers and wireless chip module. The harvester, circuits, accelerometer, and wireless chip are integrated as an energy-harvester driven wireless vibration-sensing system. Therefore, this completes a self-powered wireless vibration sensing system. For system testing, a numerical-controlled machining tool with various milling processes is used. According to the test results, the system is fully self-powered and able to successfully sense vibration in the milling processes. Furthermore, by analyzing the vibration signals (i.e., through analyzing the electrical outputs of the accelerometers), criteria are successfully established for the system for real-time accurate simulations of the milling-processes and cutter-conditions (such as cutter-wear conditions and cutter-breaking occurrence). Due to these results, our approach can be applied to most milling and other machining machines in factories to realize more smart machining technologies. PMID:26907297

Self-assembly behavior of pH- and thermosensitive amphiphilic triblock copolymers in solution: experimental studies and self-consistent field theory simulations.

PubMed

Cai, Chunhua; Zhang, Liangshun; Lin, Jiaping; Wang, Liquan

2008-10-09

We investigated, both experimentally and theoretically, the self-assembly behaviors of pH- and thermosensitive poly(L-glutamic acid)- b-poly(propylene oxide)-b-poly(L-glutamic acid) (PLGA-b-PPO-b-PLGA) triblock copolymers in aqueous solution by means of transmission electron microscopy (TEM), scanning electron microscopy (SEM), dynamic light scattering (DLS), circular dichroism (CD), and self-consistent field theory (SCFT) simulations. Vesicles were observed when the hydrophilic PLGA block length is shorter or the pH value of solution is lower. The vesicles were found to transform to spherical micelles when the PLGA block length increases or its conformation changes from helix to coil with increasing the pH value. In addition, increasing temperature gives rise to a decrease in the size of aggregates, which is related to the dehydration of the PPO segments at higher temperatures. The SCFT simulation results show that the vesicles transform to the spherical micelles with increasing the fraction or statistical length of A block in model ABA triblock copolymer, which corresponds to the increase in the PLGA length or its conformation change from helix to coil in experiments, respectively. The SCFT calculations also provide chain distribution information in the aggregates. On the basis of both experimental and SCFT results, the mechanism of the structure change of the PLGA- b-PPO- b-PLGA aggregates was proposed.

Phase-field simulation of microstructure formation in technical castings - A self-consistent homoenthalpic approach to the micro-macro problem

NASA Astrophysics Data System (ADS)

Böttger, B.; Eiken, J.; Apel, M.

2009-10-01

Performing microstructure simulation of technical casting processes suffers from the strong interdependency between latent heat release due to local microstructure formation and heat diffusion on the macroscopic scale: local microstructure formation depends on the macroscopic heat fluxes and, in turn, the macroscopic temperature solution depends on the latent heat release, and therefore on the microstructure formation, in all parts of the casting. A self-consistent homoenthalpic approximation to this micro-macro problem is proposed, based on the assumption of a common enthalpy-temperature relation for the whole casting which is used for the description of latent heat production on the macroscale. This enthalpy-temperature relation is iteratively obtained by phase-field simulations on the microscale, thus taking into account the specific morphological impact on the latent heat production. This new approach is discussed and compared to other approximations for the coupling of the macroscopic heat flux to complex microstructure models. Simulations are performed for the binary alloy Al-3at%Cu, using a multiphase-field solidification model which is coupled to a thermodynamic database. Microstructure formation is simulated for several positions in a simple model plate casting, using a one-dimensional macroscopic temperature solver which can be directly coupled to the microscopic phase-field simulation tool.

The self-consistency model of subjective confidence.

PubMed

Koriat, Asher

2012-01-01

How do people monitor the correctness of their answers? A self-consistency model is proposed for the process underlying confidence judgments and their accuracy. In answering a 2-alternative question, participants are assumed to retrieve a sample of representations of the question and base their confidence on the consistency with which the chosen answer is supported across representations. Confidence is modeled by analogy to the calculation of statistical level of confidence (SLC) in testing hypotheses about a population and represents the participant's assessment of the likelihood that a new sample will yield the same choice. Assuming that participants draw representations from a commonly shared item-specific population of representations, predictions were derived regarding the function relating confidence to inter-participant consensus and intra-participant consistency for the more preferred (majority) and the less preferred (minority) choices. The predicted pattern was confirmed for several different tasks. The confidence-accuracy relationship was shown to be a by-product of the consistency-correctness relationship: It is positive because the answers that are consistently chosen are generally correct, but negative when the wrong answers tend to be favored. The overconfidence bias stems from the reliability-validity discrepancy: Confidence monitors reliability (or self-consistency), but its accuracy is evaluated in calibration studies against correctness. Simulation and empirical results suggest that response speed is a frugal cue for self-consistency, and its validity depends on the validity of self-consistency in predicting performance. Another mnemonic cue-accessibility, which is the overall amount of information that comes to mind-makes an added, independent contribution. Self-consistency and accessibility may correspond to the 2 parameters that affect SLC: sample variance and sample size.

Atomistic simulation of hydrophobin HFBII conformation in aqueous and fluorous media and at the water/vacuum interface.

PubMed

Raffaini, Giuseppina; Milani, Roberto; Ganazzoli, Fabio; Resnati, Giuseppe; Metrangolo, Pierangelo

2016-01-01

Hydrophobins are proteins of interest for numerous applications thanks to their unique conformational and surface properties and their ability to self-assemble at interfaces. Here we report fully atomistic molecular mechanics and molecular dynamics results together with circular dichroism experimental data, aimed to study the conformational properties of the hydrophobin HFBII in a fluorinated solvent in comparison with a water solution and/or at an aqueous/vacuum interface. Both the atomistic simulations and the circular dichroism data show the remarkable structural stability of HFBII at all scales in all these environments, with no significant structural change, although a small cavity is formed in the fluorinated solvent. The combination of theoretical calculations and circular dichroism data can describe in detail the protein conformation and flexibility in different solvents and/or at an interface, and constitutes a first step towards the study of their self-assembly. Copyright © 2015 Elsevier Inc. All rights reserved.

Self-consistent electronic structure of disordered Fe/sub 0. 65/Ni/sub 0. 35/

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

Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

1985-04-15

We present the results of the first ab initio calculation of the electronic structure of the disordered alloy Fe/sub 0.65/Ni/sub 0.35/. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko--Wilk--Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder, whereas the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared to the verymore » structured majority spin density of states. This difference is due to a subtle balance between exchange splitting and charge neutrality.« less

Self-consistent electronic structure of disordered Fe/sub 0/ /sub 65/Ni/sub 0/ /sub 35/

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

Johnson, D.D.; Pinski, F.J.; Stocks, G.M.

1984-01-01

We present the results of the first ab-initio calculation of the electronic structure of a disordered Fe/sub 0/ /sub 65/Ni/sub 0/ /sub 35/ alloy. The calculation is based on the multiple-scattering coherent-potential approach (KKR-CPA) and is fully self-consistent and spin-polarized. Magnetic effects are included within local-spin-density functional theory using the exchange-correlation function of Vosko-Wilk-Nusair. The most striking feature of the calculation is that electrons of different spins experience different degrees of disorder. The minority spin electrons see a very large disorder; whereas, the majority spin electrons see little disorder. Consequently, the minority spin density of states is smooth compared tomore » the very structured majority spin density of states. This difference is due to a subtle balance between exchange-splitting and charge neutrality. 15 references, 2 figures.« less

GJ 581 update: Additional evidence for a Super-Earth in the habitable zone

NASA Astrophysics Data System (ADS)

Vogt, S. S.; Butler, R. P.; Haghighipour, N.

2012-08-01

We present an analysis of the significantly expanded HARPS 2011 radial velocity data set for GJ 581 that was presented by Forveille et al. (2011). Our analysis reaches substantially different conclusions regarding the evidence for a Super-Earth-mass planet in the star's Habitable Zone. We were able to reproduce their reported χν2 and RMS values only after removing some outliers from their models and refitting the trimmed down RV set. A suite of 4000 N-body simulations of their Keplerian model all resulted in unstable systems and revealed that their reported 3.6σ detection of e=0.32 for the eccentricity of GJ 581e is manifestly incompatible with the system's dynamical stability. Furthermore, their Keplerian model, when integrated only over the time baseline of the observations, significantly increases the χν2 and demonstrates the need for including non-Keplerian orbital precession when modeling this system. We find that a four-planet model with all of the planets on circular or nearly circular orbits provides both an excellent self-consistent fit to their RV data and also results in a very stable configuration. The periodogram of the residuals to a 4-planet all-circular-orbit model reveals significant peaks that suggest one or more additional planets in this system. We conclude that the present 240-point HARPS data set, when analyzed in its entirety, and modeled with fully self-consistent stable orbits, by and of itself does offer significant support for a fifth signal in the data with a period near 32 days. This signal has a false alarm probability of <4 % and is consistent with a planet of minimum mass 2.2 M_⊙, orbiting squarely in the star's habitable zone at 0.13 AU, where liquid water on planetary surfaces is a distinct possibility.

Osborne Reynolds pipe flow: direct numerical simulation from laminar to fully-developed turbulence

NASA Astrophysics Data System (ADS)

Adrian, R. J.; Wu, X.; Moin, P.; Baltzer, J. R.

2014-11-01

Osborne Reynolds' pipe experiment marked the onset of modern viscous flow research, yet the detailed mechanism carrying the laminar state to fully-developed turbulence has been quite elusive, despite notable progress related to dynamic edge-state theory. Here, we continue our direct numerical simulation study on this problem using a 250R long, spatially-developing pipe configuration with various Reynolds numbers, inflow disturbances, and inlet base flow states. For the inlet base flow, both fully-developed laminar profile and the uniform plug profile are considered. Inlet disturbances consist of rings of turbulence of different width and radial location. In all the six cases examined so far, energy norms show exponential growth with axial distance until transition after an initial decay near the inlet. Skin-friction overshoots the Moody's correlation in most, but not all, the cases. Another common theme is that lambda vortices amplified out of susceptible elements in the inlet disturbances trigger rapidly growing hairpin packets at random locations and times, after which infant turbulent spots appear. Mature turbulent spots in the pipe transition are actually tight concentrations of hairpin packets looking like a hairpin forest. The plug flow inlet profile requires much stronger disturbances to transition than the parabolic profile.

Calibration of a rotating accelerometer gravity gradiometer using centrifugal gradients

NASA Astrophysics Data System (ADS)

Yu, Mingbiao; Cai, Tijing

2018-05-01

The purpose of this study is to calibrate scale factors and equivalent zero biases of a rotating accelerometer gravity gradiometer (RAGG). We calibrate scale factors by determining the relationship between the centrifugal gradient excitation and RAGG response. Compared with calibration by changing the gravitational gradient excitation, this method does not need test masses and is easier to implement. The equivalent zero biases are superpositions of self-gradients and the intrinsic zero biases of the RAGG. A self-gradient is the gravitational gradient produced by surrounding masses, and it correlates well with the RAGG attitude angle. We propose a self-gradient model that includes self-gradients and the intrinsic zero biases of the RAGG. The self-gradient model is a function of the RAGG attitude, and it includes parameters related to surrounding masses. The calibration of equivalent zero biases determines the parameters of the self-gradient model. We provide detailed procedures and mathematical formulations for calibrating scale factors and parameters in the self-gradient model. A RAGG physical simulation system substitutes for the actual RAGG in the calibration and validation experiments. Four point masses simulate four types of surrounding masses producing self-gradients. Validation experiments show that the self-gradients predicted by the self-gradient model are consistent with those from the outputs of the RAGG physical simulation system, suggesting that the presented calibration method is valid.

Properties of Turbulence in the Reconnection Exhaust: Numerical Simulations Compared with Observations

NASA Astrophysics Data System (ADS)

Pucci, F.; Servidio, S.; Sorriso-Valvo, L.; Olshevsky, V.; Matthaeus, W. H.; Malara, F.; Goldman, M. V.; Newman, D. L.; Lapenta, G.

2017-05-01

The properties of the turbulence that develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with reported observations of reconnection events in the magnetotail, investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show the development of a turbulent cascade consistent with spacecraft observations, statistics of the dissipation mechanisms in the turbulent outflows similar to the ones observed in reconnection jets in the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.

Properties of turbulence in the reconnection exhaust: numerical simulations compared with observations

NASA Astrophysics Data System (ADS)

Pucci, Francesco; Servidio, Sergio; Sorriso-Valvo, Luca; Olshevsky, Vyacheslav; Matthaeus, William; Malara, Francesco; Goldman, Martin; Newman, David; Lapenta, Giovanni

2017-04-01

The properties of the turbulence which develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with observations of reconnection event in the magnetotail investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show: the development of a turbulent cascade consistent with spacecraft observations, statistics of the the dissipation mechanisms in the turbulent outflows similar to the one observed in reconnection jets in the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.

Self-Consistent Model of Magnetospheric Ring Current and Propagating Electromagnetic Ion Cyclotron Waves: Waves in Multi-Ion Magnetosphere

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gamayunov, K. V.; Gallagher, D. L.; Kozyra, J. U.

2006-01-01

The further development of a self-consistent theoretical model of interacting ring current ions and electromagnetic ion cyclotron waves (Khazanov et al., 2003) is presented In order to adequately take into account wave propagation and refraction in a multi-ion magnetosphere, we explicitly include the ray tracing equations in our previous self-consistent model and use the general form of the wave kinetic equation. This is a major new feature of the present model and, to the best of our knowledge, the ray tracing equations for the first time are explicitly employed on a global magnetospheric scale in order to self-consistently simulate the spatial, temporal, and spectral evolution of the ring current and of electromagnetic ion cyclotron waves To demonstrate the effects of EMIC wave propagation and refraction on the wave energy distribution and evolution, we simulate the May 1998 storm. The main findings of our simulation can be summarized as follows. First, owing to the density gradient at the plasmapause, the net wave refraction is suppressed, and He+-mode grows preferably at the plasmapause. This result is in total agreement with previous ray tracing studies and is very clearly found in presented B field spectrograms. Second, comparison of global wave distributions with the results from another ring current model (Kozyra et al., 1997) reveals that this new model provides more intense and more highly plasmapause-organized wave distributions during the May 1998 storm period Finally, it is found that He(+)-mode energy distributions are not Gaussian distributions and most important that wave energy can occupy not only the region of generation, i.e., the region of small wave normal angles, but all wave normal angles, including those to near 90 . The latter is extremely crucial for energy transfer to thermal plasmaspheric electrons by resonant Landau damping and subsequent downward heat transport and excitation of stable auroral red arcs.

Self-Consistent Model of Magnetospheric Ring Current and Propagating Electromagnetic Ion Cyclotron Waves. 1; Waves in Multi Ion Magnetosphere

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gumayunov, K. V.; Gallagher, D. L.; Kozyra, J. U.

2006-01-01

The further development of a self-consistent theoretical model of interacting ring current ions and electromagnetic ion cyclotron waves [Khazanov et al., 2003] is presented. In order to adequately take into account the wave propagation and refraction in a multi-ion plasmasphere, we explicitly include the ray tracing equations in our previous self-consistent model and use the general form of the wave kinetic equation. This is a major new feature of the present model and, to the best of our knowledge, the ray tracing equations for the first time are explicitly employed on a global magnetospheric scale in order to self-consistently simulate spatial, temporal, and spectral evolutions of the ring current and electromagnetic ion cyclotron waves. To demonstrate the effects of EMIC wave propagation and refraction on the EMIC wave energy distributions and evolution we simulate the May 1998 storm. The main findings of our simulation can be summarized as follows. First, due to the density gradient at the plasmapause, the net wave refraction is suppressed, and He(+)-mode grows preferably at plasmapause. This result is in a total agreement with the previous ray tracing studies, and very clear observed in presented B-field spectrograms. Second, comparison the global wave distributions with the results from other ring current model [Kozyra et al., 1997] reveals that our model provides more intense and higher plasmapause organized distributions during the May, 1998 storm period. Finally, the found He(+)-mode energy distributions are not Gaussian distributions, and most important that wave energy can occupy not only the region of generation, i. e. the region of small wave normal angles, but the entire wave normal angle region and even only the region near 90 degrees. The latter is extremely crucial for energy transfer to thermal plasmaspheric electrons by resonant Landau damping, and subsequent downward heat transport and excitation of stable auroral red arcs.

Py-SPHViewer: Cosmological simulations using Smoothed Particle Hydrodynamics

NASA Astrophysics Data System (ADS)

Benítez-Llambay, Alejandro

2017-12-01

Py-SPHViewer visualizes and explores N-body + Hydrodynamics simulations. The code interpolates the underlying density field (or any other property) traced by a set of particles, using the Smoothed Particle Hydrodynamics (SPH) interpolation scheme, thus producing not only beautiful but also useful scientific images. Py-SPHViewer enables the user to explore simulated volumes using different projections. Py-SPHViewer also provides a natural way to visualize (in a self-consistent fashion) gas dynamical simulations, which use the same technique to compute the interactions between particles.

Simulations of relativistic quantum plasmas using real-time lattice scalar QED

NASA Astrophysics Data System (ADS)

Shi, Yuan; Xiao, Jianyuan; Qin, Hong; Fisch, Nathaniel J.

2018-05-01

Real-time lattice quantum electrodynamics (QED) provides a unique tool for simulating plasmas in the strong-field regime, where collective plasma scales are not well separated from relativistic-quantum scales. As a toy model, we study scalar QED, which describes self-consistent interactions between charged bosons and electromagnetic fields. To solve this model on a computer, we first discretize the scalar-QED action on a lattice, in a way that respects geometric structures of exterior calculus and U(1)-gauge symmetry. The lattice scalar QED can then be solved, in the classical-statistics regime, by advancing an ensemble of statistically equivalent initial conditions in time, using classical field equations obtained by extremizing the discrete action. To demonstrate the capability of our numerical scheme, we apply it to two example problems. The first example is the propagation of linear waves, where we recover analytic wave dispersion relations using numerical spectrum. The second example is an intense laser interacting with a one-dimensional plasma slab, where we demonstrate natural transition from wakefield acceleration to pair production when the wave amplitude exceeds the Schwinger threshold. Our real-time lattice scheme is fully explicit and respects local conservation laws, making it reliable for long-time dynamics. The algorithm is readily parallelized using domain decomposition, and the ensemble may be computed using quantum parallelism in the future.

Theory of multiple quantum dot formation in strained-layer heteroepitaxy

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

Du, Lin; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu

2016-07-11

We develop a theory for the experimentally observed formation of multiple quantum dots (QDs) in strained-layer heteroepitaxy based on surface morphological stability analysis of a coherently strained epitaxial thin film on a crystalline substrate. Using a fully nonlinear model of surface morphological evolution that accounts for a wetting potential contribution to the epitaxial film's free energy as well as surface diffusional anisotropy, we demonstrate the formation of multiple QD patterns in self-consistent dynamical simulations of the evolution of the epitaxial film surface perturbed from its planar state. The simulation predictions are supported by weakly nonlinear analysis of the epitaxial filmmore » surface morphological stability. We find that, in addition to the Stranski-Krastanow instability, long-wavelength perturbations from the planar film surface morphology can trigger a nonlinear instability, resulting in the splitting of a single QD into multiple QDs of smaller sizes, and predict the critical wavelength of the film surface perturbation for the onset of the nonlinear tip-splitting instability. The theory provides a fundamental interpretation for the observations of “QD pairs” or “double QDs” and other multiple QDs reported in experimental studies of epitaxial growth of semiconductor strained layers and sets the stage for precise engineering of tunable-size nanoscale surface features in strained-layer heteroepitaxy by exploiting film surface nonlinear, pattern forming phenomena.« less

Sources of self-efficacy belief: development and validation of two scales.

PubMed

Liu, Ou Lydia; Wilson, Mark

2010-01-01

Self-efficacy belief has been an instrumental affective factor in predicting student behavior and achievement in academic settings. Although there is abundant literature on efficacy belief per se, the sources of efficacy belief have not been fully researched. Very few instruments exist to quantify the sources of efficacy-beliefs. To fill this void, we developed two scales for the two main sources of self-efficacy belief: past performance and social persuasion. Pilot test data were collected from 255 middle school students. A self-efficacy measure was also administered to the students as a criterion measure. The Rasch rating scale model was used to analyze the data. Information on item fit, item design, content validity, external validity, internal consistency, and person separation reliability was examined. The two scales displayed satisfactory psychometric properties. Applications and limitations of these two scales are also discussed.

Self-consistent chaos in a mean-field Hamiltonian model of fluids and plasmas

NASA Astrophysics Data System (ADS)

del-Castillo-Negrete, D.; Firpo, Marie-Christine

2002-11-01

We present a mean-field Hamiltonian model that describes the collective dynamics of marginally stable fluids and plasmas. In plasmas, the model describes the self-consistent evolution of electron holes and clumps in phase space. In fluids, the model describes the dynamics of vortices with negative and positive circulation in shear flows. The mean-field nature of the system makes it a tractable model to study the dynamics of large degrees-of-freedom, coupled Hamiltonian systems. Here we focus in the role of self-consistent chaos in the formation and destruction of phase space coherent structures. Numerical simulations in the finite N and in the Narrow kinetic limit (where N is the number of particles) show the existence of coherent, rotating dipole states. We approximate the dipole as two macroparticles, and show that the N = 2 limit has a family of rotating integrable solutions described by a one degree-of-freedom nontwist Hamiltonian. The coherence of the dipole is explained in terms of a parametric resonance between the rotation frequency of the macroparticles and the oscillation frequency of the self-consistent mean field. For a class of initial conditions, the mean field exhibits a self-consistent, elliptic-hyperbolic bifurcation that leads to the destruction of the dipole and violent mixing of the phase space.

Charge and spin diffusion on the metallic side of the metal-insulator transition: A self-consistent approach

NASA Astrophysics Data System (ADS)

Wellens, Thomas; Jalabert, Rodolfo A.

2016-10-01

We develop a self-consistent theory describing the spin and spatial electron diffusion in the impurity band of doped semiconductors under the effect of a weak spin-orbit coupling. The resulting low-temperature spin-relaxation time and diffusion coefficient are calculated within different schemes of the self-consistent framework. The simplest of these schemes qualitatively reproduces previous phenomenological developments, while more elaborate calculations provide corrections that approach the values obtained in numerical simulations. The results are universal for zinc-blende semiconductors with electron conductance in the impurity band, and thus they are able to account for the measured spin-relaxation times of materials with very different physical parameters. From a general point of view, our theory opens a new perspective for describing the hopping dynamics in random quantum networks.

Evaluation and development the routing protocol of a fully functional simulation environment for VANETs

NASA Astrophysics Data System (ADS)

Ali, Azhar Tareq; Warip, Mohd Nazri Mohd; Yaakob, Naimah; Abduljabbar, Waleed Khalid; Atta, Abdu Mohammed Ali

2017-11-01

Vehicular Ad-hoc Networks (VANETs) is an area of wireless technologies that is attracting a great deal of interest. There are still several areas of VANETS, such as security and routing protocols, medium access control, that lack large amounts of research. There is also a lack of freely available simulators that can quickly and accurately simulate VANETs. The main goal of this paper is to develop a freely available VANETS simulator and to evaluate popular mobile ad-hoc network routing protocols in several VANETS scenarios. The VANETS simulator consisted of a network simulator, traffic (mobility simulator) and used a client-server application to keep the two simulators in sync. The VANETS simulator also models buildings to create a more realistic wireless network environment. Ad-Hoc Distance Vector routing (AODV), Dynamic Source Routing (DSR) and Dynamic MANET On-demand (DYMO) were initially simulated in a city, country, and highway environment to provide an overall evaluation.

Detonation initiation in a model of explosive: Comparative atomistic and hydrodynamics simulations

NASA Astrophysics Data System (ADS)

Murzov, S. A.; Sergeev, O. V.; Dyachkov, S. A.; Egorova, M. S.; Parshikov, A. N.; Zhakhovsky, V. V.

2016-11-01

Here we extend consistent simulations to reactive materials by the example of AB model explosive. The kinetic model of chemical reactions observed in a molecular dynamics (MD) simulation of self-sustained detonation wave can be used in hydrodynamic simulation of detonation initiation. Kinetic coefficients are obtained by minimization of difference between profiles of species calculated from the kinetic model and observed in MD simulations of isochoric thermal decomposition with a help of downhill simplex method combined with random walk in multidimensional space of fitting kinetic model parameters.

Combinatoric analysis of heterogeneous stochastic self-assembly.

PubMed

D'Orsogna, Maria R; Zhao, Bingyu; Berenji, Bijan; Chou, Tom

2013-09-28

We analyze a fully stochastic model of heterogeneous nucleation and self-assembly in a closed system with a fixed total particle number M, and a fixed number of seeds Ns. Each seed can bind a maximum of N particles. A discrete master equation for the probability distribution of the cluster sizes is derived and the corresponding cluster concentrations are found using kinetic Monte-Carlo simulations in terms of the density of seeds, the total mass, and the maximum cluster size. In the limit of slow detachment, we also find new analytic expressions and recursion relations for the cluster densities at intermediate times and at equilibrium. Our analytic and numerical findings are compared with those obtained from classical mass-action equations and the discrepancies between the two approaches analyzed.

42 CFR 137.250 - How are funds distributed when a Self-Governance Tribe fully or partially retrocedes from its...

Code of Federal Regulations, 2010 CFR

2010-10-01

... 42 Public Health 1 2010-10-01 2010-10-01 false How are funds distributed when a Self-Governance..., DEPARTMENT OF HEALTH AND HUMAN SERVICES TRIBAL SELF-GOVERNANCE Retrocession § 137.250 How are funds distributed when a Self-Governance Tribe fully or partially retrocedes from its compact or funding agreement...

Shape, zonal winds and gravitational field of Jupiter: a fully self-consistent, multi-layered model

NASA Astrophysics Data System (ADS)

Schubert, Gerald; Kong, Dali; Zhang, Keke

2016-10-01

We construct a three-dimensional, finite-element, fully self-consistent, multi-layered,non-spheroidal model of Jupiter consisting of an inner core, a metallic electrically conducting dynamo region and an outer molecular electrically insulating envelope. We assume that the Jovian zonal winds are on cylinders parallel to the rotation axis but, due to the effect of magnetic braking, are confined within the outer molecular envelope. Two related calculations are carried out. The first provides an accurate description of the shape and internal density profile of Jupiter; the effect of rotational distortion is not treated as a small perturbation on a spherically symmetric state. This calculation determines the density, size and shape of the inner core, the irregular shape of the 1-bar pressure level, and the internal structure of Jupiter; the full effect of rotational distortion, without the influence of the zonal winds, is accounted for. Our multi-layered model is able to produce the known mass, the known equatorial and polar radii, and the known zonal gravitational coefficient J2 of Jupiter within their error bars; it also yields the coefficients J4 and J6 within about 5% accuracy, and the core equatorial radius 0.09RJ containing 3.73 Earth masses.The second calculation determines the variation of the gravitational field caused solely by the effect of the zonal winds on the rotationally distorted non-spheroidal Jupiter. Four different cases, ranging from a deep wind profile to a very shallow profile, are considered and implications for accurate interpretation of the zonal gravitational coefficients expected from the Juno mission are discussed.

TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field

NASA Astrophysics Data System (ADS)

Dziedzic, Jacek; Mao, Yuezhi; Shao, Yihan; Ponder, Jay; Head-Gordon, Teresa; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-09-01

We present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression for the Hamiltonian of the coupled QM/MM system, which we minimize using gradient methods. The QM subsystem is described by the onetep linear-scaling DFT approach, which makes use of strictly localized orbitals expressed in a set of periodic sinc basis functions equivalent to plane waves. The MM subsystem is described by the multipolar, polarizable force field AMOEBA, as implemented in tinker. Distributed multipole analysis is used to obtain, on the fly, a classical representation of the QM subsystem in terms of atom-centered multipoles. This auxiliary representation is used for all polarization interactions between QM and MM, allowing us to treat them on the same footing as in AMOEBA. We validate our method in tests of solute-solvent interaction energies, for neutral and charged molecules, demonstrating the simultaneous optimization of the quantum and classical degrees of freedom. Encouragingly, we find that the inclusion of explicit polarization in the MM part of QM/MM improves the agreement with fully QM calculations.

Electric dipole strength and dipole polarizability in 48Ca within a fully self-consistent second random-phase approximation

NASA Astrophysics Data System (ADS)

Gambacurta, D.; Grasso, M.; Vasseur, O.

2018-02-01

The second random-phase-approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random-phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.

Bayesian power spectrum inference with foreground and target contamination treatment

NASA Astrophysics Data System (ADS)

Jasche, J.; Lavaux, G.

2017-10-01

This work presents a joint and self-consistent Bayesian treatment of various foreground and target contaminations when inferring cosmological power spectra and three-dimensional density fields from galaxy redshift surveys. This is achieved by introducing additional block-sampling procedures for unknown coefficients of foreground and target contamination templates to the previously presented ARES framework for Bayesian large-scale structure analyses. As a result, the method infers jointly and fully self-consistently three-dimensional density fields, cosmological power spectra, luminosity-dependent galaxy biases, noise levels of the respective galaxy distributions, and coefficients for a set of a priori specified foreground templates. In addition, this fully Bayesian approach permits detailed quantification of correlated uncertainties amongst all inferred quantities and correctly marginalizes over observational systematic effects. We demonstrate the validity and efficiency of our approach in obtaining unbiased estimates of power spectra via applications to realistic mock galaxy observations that are subject to stellar contamination and dust extinction. While simultaneously accounting for galaxy biases and unknown noise levels, our method reliably and robustly infers three-dimensional density fields and corresponding cosmological power spectra from deep galaxy surveys. Furthermore, our approach correctly accounts for joint and correlated uncertainties between unknown coefficients of foreground templates and the amplitudes of the power spectrum. This effect amounts to correlations and anti-correlations of up to 10 per cent across wide ranges in Fourier space.

Three-dimensional particle-in-cell simulations of a plasma jet/cloud streaming across a transverse magnetic field

NASA Astrophysics Data System (ADS)

Voitcu, Gabriel; Echim, Marius

2014-05-01

The dynamics of collisionless plasma jets/clouds in magnetic field configurations typical for the terrestrial magnetotail and frontside magnetosheath is a topic of interest for understanding the physics of the magnetosphere and its interaction with the solar wind. The presence of high-speed jets in the frontside magnetosheath has been recently proved experimentally by Cluster and THEMIS spacecrafts. There is increasing evidence that the bursty bulk flows in the magnetotail have jet-like features. In the present paper we use fully electromagnetic 3D explicit particle-in-cell (PIC) simulations to investigate the interaction of a localized three-dimensional plasma element/jet/cloud with a transverse magnetic field. We consider a plasma jet/cloud that moves in vacuum and perpendicular to an ambient magnetic field. Ampère and Faraday's laws are used to compute the self-consistent electric and magnetic fields on a three-dimensional spatial grid having a step-size of the order of the Debye length and using a time-step that resolves the plasma frequency. The initial magnetic field inside the simulation domain is uniform and the plasma bulk velocity at the beginning of the simulation is normal to the magnetic field direction. The total time scale of the simulation is of the order of few ion Larmor periods. Space and time variations of the plasma parameters and of the electromagnetic field are analyzed and discussed. We emphasize non-MHD effects like the energy-dispersion signatures at the edges of the plasma element, similar to results previously reported by Voitcu and Echim (2012) using test-kinetic simulations. Acknowledgments: Research supported by the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 313038/STORM, and a grant of the Romanian Ministry of National Education, CNCS - UEFISCDI, project number PN-II-ID-PCE-2012-4-0418.

Analyzing the Effectiveness of the Self-organized Public-Key Management System on MANETs under the Lack of Cooperation and the Impersonation Attacks

NASA Astrophysics Data System (ADS)

da Silva, Eduardo; Dos Santos, Aldri Luiz; Lima, Michele N.; Albini, Luiz Carlos Pessoa

Among the key management schemes for MANETs, the Self-Organized Public-Key Management System (PGP-Like) is the main chaining-based key management scheme. It is fully self-organized and does not require any certificate authority. Two kinds of misbehavior attacks are considered to be great threats to PGP-Like: lack of cooperation and impersonation attacks. This work quantifies the impact of such attacks on the PGP-Like. Simulation results show that PGP-Like was able to maintain its effectiveness when submitted to the lack of cooperation attack, contradicting previously theoretical results. It correctly works even in the presence of more than 60% of misbehaving nodes, although the convergence time is affected with only 20% of misbehaving nodes. On the other hand, PGP-Like is completely vulnerable to the impersonation attack. Its functionality is affected with just 5% of misbehaving nodes, confirming previously theoretical results.

Reactivity of Free Malondialdehyde during In Vitro Simulated Gastrointestinal Digestion.

PubMed

Vandemoortele, Angelique; Babat, Pinar; Yakubu, Mariam; De Meulenaer, Bruno

2017-03-15

An aqueous buffer, a saturated glycerol triheptanoate oil, and a Tween 20 stabilized fully hydrogenated coconut oil-in-water emulsion, all spiked with malondialdehyde, were subjected to in vitro digestion. A dynamic equilibrium between malondialdehyde, its aldol self-condensation products, and its hydrolytic cleavage products was observed. This equilibrium depended upon the kind of sample and the temperature at which these samples were preincubated during 24 h. The presence of oil during gastric digestion protected the aldol self-condensation and cleavage products from conversion to malondialdehyde, which occurred in the aqueous acidic gastric chyme. In parallel, the presence of oil enhanced the reactivity of malondialdehyde throughout the gastrointestinal digestion process. Malondialdehyde recoveries after digestion varied between 42 and 90%, depending upon the model system studied, with the aldol self-condensation as the main reaction pathway. In conclusion, this study revealed that malondialdehyde is a very reactive molecule whose reactivity does not stop at the point of ingestion.

Numerical simulations of unsteady transonic flow in diffusers

NASA Technical Reports Server (NTRS)

Liou, M.-S.; Coakley, T. J.

1982-01-01

Forced and naturally occurring, self-sustaining oscillations of transonic flows in two-dimensional diffusers were computed using MacCormack's hybrid method. Depending upon the shock strengths and the area ratios, the flow was fully attached or separated by either the shock or the adverse pressure gradient associated with the enlarging diffuser area. In the case of forced oscillations, a sinusoidal plane pressure wave at frequency 300 Hz was prescribed at the exit. A sufficiently large amount of data were acquired and Fourier analyzed. The distrbutions of time-mean pressures, the power spectral density, and the amplitude with phase angle along the top wall and in the core region were determined. Comparison with experimental results for the forced oscillation generally gave very good agreement; some success was achieved for the case of self-sustaining oscillation despite substantial three-dimensionality in the test. An observation of the sequence of self-sustaining oscillations was given.

Observable Signatures of Wind-driven Chemistry with a Fully Consistent Three-dimensional Radiative Hydrodynamics Model of HD 209458b

NASA Astrophysics Data System (ADS)

Drummond, B.; Mayne, N. J.; Manners, J.; Carter, A. L.; Boutle, I. A.; Baraffe, I.; Hébrard, É.; Tremblin, P.; Sing, D. K.; Amundsen, D. S.; Acreman, D.

2018-03-01

We present a study of the effect of wind-driven advection on the chemical composition of hot-Jupiter atmospheres using a fully consistent 3D hydrodynamics, chemistry, and radiative transfer code, the Met Office Unified Model (UM). Chemical modeling of exoplanet atmospheres has primarily been restricted to 1D models that cannot account for 3D dynamical processes. In this work, we couple a chemical relaxation scheme to the UM to account for the chemical interconversion of methane and carbon monoxide. This is done consistently with the radiative transfer meaning that departures from chemical equilibrium are included in the heating rates (and emission) and hence complete the feedback between the dynamics, thermal structure, and chemical composition. In this Letter, we simulate the well studied atmosphere of HD 209458b. We find that the combined effect of horizontal and vertical advection leads to an increase in the methane abundance by several orders of magnitude, which is directly opposite to the trend found in previous works. Our results demonstrate the need to include 3D effects when considering the chemistry of hot-Jupiter atmospheres. We calculate transmission and emission spectra, as well as the emission phase curve, from our simulations. We conclude that gas-phase nonequilibrium chemistry is unlikely to explain the model–observation discrepancy in the 4.5 μm Spitzer/IRAC channel. However, we highlight other spectral regions, observable with the James Webb Space Telescope, where signatures of wind-driven chemistry are more prominant.

Stable Stratification Effects on Flow and Pollutant Dispersion in Boundary Layers Entering a Generic Urban Environment

NASA Astrophysics Data System (ADS)

Tomas, J. M.; Pourquie, M. J. B. M.; Jonker, H. J. J.

2016-05-01

Large-eddy simulations (LES) are used to investigate the effect of stable stratification on rural-to-urban roughness transitions. Smooth-wall turbulent boundary layers are subjected to a generic urban roughness consisting of cubes in an in-line arrangement. Two line sources of pollutant are added to investigate the effect on pollutant dispersion. Firstly, the LES method is validated with data from wind-tunnel experiments on fully-developed flow over cubical roughness. Good agreement is found for the vertical profiles of the mean streamwise velocity component and mean Reynolds stress. Subsequently, roughness transition simulations are done for both neutral and stable conditions. Results are compared with fully-developed simulations with conventional double-periodic boundary conditions. In stable conditions, at the end of the domain the streamwise velocity component has not yet reached the fully-developed state even though the surface forces are nearly constant. Moreover, the internal boundary layer is shallower than in the neutral case. Furthermore, an investigation of the turbulence kinetic energy budget shows that the buoyancy destruction term is reduced in the internal boundary layer, above which it is equal to the undisturbed (smooth wall) value. In addition, in stable conditions pollutants emitted above the urban canopy enter the canopy farther downstream due to decreased vertical mixing. Pollutants emitted below the top of the urban canopy are 85 % higher in concentration in stable conditions mostly due to decreased advection. If this is taken into account concentrations remain 17 % greater in stable conditions due to less rapid internal boundary-layer growth. Finally, it is concluded that in the first seven streets the vertical advective pollutant flux is significant, in contrast to the fully-developed case.

An efficient mixed-precision, hybrid CPU-GPU implementation of a nonlinearly implicit one-dimensional particle-in-cell algorithm

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

Chen, Guangye; Chacon, Luis; Barnes, Daniel C

2012-01-01

Recently, a fully implicit, energy- and charge-conserving particle-in-cell method has been developed for multi-scale, full-f kinetic simulations [G. Chen, et al., J. Comput. Phys. 230, 18 (2011)]. The method employs a Jacobian-free Newton-Krylov (JFNK) solver and is capable of using very large timesteps without loss of numerical stability or accuracy. A fundamental feature of the method is the segregation of particle orbit integrations from the field solver, while remaining fully self-consistent. This provides great flexibility, and dramatically improves the solver efficiency by reducing the degrees of freedom of the associated nonlinear system. However, it requires a particle push per nonlinearmore » residual evaluation, which makes the particle push the most time-consuming operation in the algorithm. This paper describes a very efficient mixed-precision, hybrid CPU-GPU implementation of the implicit PIC algorithm. The JFNK solver is kept on the CPU (in double precision), while the inherent data parallelism of the particle mover is exploited by implementing it in single-precision on a graphics processing unit (GPU) using CUDA. Performance-oriented optimizations, with the aid of an analytical performance model, the roofline model, are employed. Despite being highly dynamic, the adaptive, charge-conserving particle mover algorithm achieves up to 300 400 GOp/s (including single-precision floating-point, integer, and logic operations) on a Nvidia GeForce GTX580, corresponding to 20 25% absolute GPU efficiency (against the peak theoretical performance) and 50-70% intrinsic efficiency (against the algorithm s maximum operational throughput, which neglects all latencies). This is about 200-300 times faster than an equivalent serial CPU implementation. When the single-precision GPU particle mover is combined with a double-precision CPU JFNK field solver, overall performance gains 100 vs. the double-precision CPU-only serial version are obtained, with no apparent loss of robustness or accuracy when applied to a challenging long-time scale ion acoustic wave simulation.« less

Hierarchical Approach to 'Atomistic' 3-D MOSFET Simulation

NASA Technical Reports Server (NTRS)

Asenov, Asen; Brown, Andrew R.; Davies, John H.; Saini, Subhash

1999-01-01

We present a hierarchical approach to the 'atomistic' simulation of aggressively scaled sub-0.1 micron MOSFET's. These devices are so small that their characteristics depend on the precise location of dopant atoms within them, not just on their average density. A full-scale three-dimensional drift-diffusion atomistic simulation approach is first described and used to verify more economical, but restricted, options. To reduce processor time and memory requirements at high drain voltage, we have developed a self-consistent option based on a solution of the current continuity equation restricted to a thin slab of the channel. This is coupled to the solution of the Poisson equation in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison to the full self-consistent solution. At low drain voltage, a single solution of the nonlinear Poisson equation is sufficient to extract the current with satisfactory accuracy. In this case, the current is calculated by solving the current continuity equation in a drift approximation only, also in a thin slab containing the MOSFET channel. The regions of applicability for the different components of this hierarchical approach are illustrated in example simulations covering the random dopant-induced threshold voltage fluctuations, threshold voltage lowering, threshold voltage asymmetry, and drain current fluctuations.

Cyber Victimization and Internalizing Difficulties: The Mediating Roles of Coping Self-Efficacy and Emotion Dysregulation.

PubMed

Trompeter, Nora; Bussey, Kay; Fitzpatrick, Sally

2018-07-01

Cyber victimization has consistently been associated with internalizing difficulties in adolescents. However, the underlying psychological mechanisms linking this relationship have not been adequately examined. The present study aimed to investigate the mediational roles of coping self-efficacy and emotion dysregulation in the relationships between cyber victimization with depression and social anxiety. Participants were 459 students (199 girls) from independent middle-class schools in grades 8 (M age  = 13 years 9 months) and 10 (M age  = 15 years 7 months). They completed a self-report questionnaire about cyberbullying participation, internalizing symptoms, coping self-efficacy, and emotion dysregulation. Structural equation modeling revealed that most domains of coping self-efficacy and emotion dysregulation partially mediated the relationship between cyber victimization and depression, and fully mediated the relationship between cyber victimization and social anxiety. The results highlight the importance of targeting these mediating factors in intervention programs to reduce the negative impact of cyber victimization on adolescents.

Simulation of free energies of bicontinuous morphologies formed through block copolymer/homopolymer self-assembly

NASA Astrophysics Data System (ADS)

Padmanabhan, Poornima; Martinez-Veracoechea, Francisco; Escobedo, Fernando

Different types of bicontinuous phases can be formed from A-B diblock copolymers by the addition of A-type homopolymers over a range of compositions and relative chain lengths. Particle-based molecular simulations were used to study three bicontinuous phases - double gyroid (G), double diamond (D) and plumber's nightmare (P) - near their triple point of coexistence. For 3-D ordered phases, the stability of the morphology formed in simulation is highly sensitive to box size whose exact size is unknown a-priori. Accurate free energy estimates are required to ascertain the stable phase, particularly when multiple competing phases spontaneously form at the conditions of interest. A variant of thermodynamic integration was implemented to obtain free energies and hence identify the stable phases and their optimal box sizes by tracing a reversible path that connects the ordered and disordered phases. Clear evidence was found of D-G and D-P phase coexistence, consistent with previous predictions for the same blend using Self-consistent field theory. Our simulations also allowed us to examine the microscopic details of these coexisting bicontinuous phases and detect key differences between the microstructure of their nodes and struts.

Development of FullWave : Hot Plasma RF Simulation Tool

NASA Astrophysics Data System (ADS)

Svidzinski, Vladimir; Kim, Jin-Soo; Spencer, J. Andrew; Zhao, Liangji; Galkin, Sergei

2017-10-01

Full wave simulation tool, modeling RF fields in hot inhomogeneous magnetized plasma, is being developed. The wave equations with linearized hot plasma dielectric response are solved in configuration space on adaptive cloud of computational points. The nonlocal hot plasma dielectric response is formulated in configuration space without limiting approximations by calculating the plasma conductivity kernel based on the solution of the linearized Vlasov equation in inhomogeneous magnetic field. This approach allows for better resolution of plasma resonances, antenna structures and complex boundaries. The formulation of FullWave and preliminary results will be presented: construction of the finite differences for approximation of derivatives on adaptive cloud of computational points; model and results of nonlocal conductivity kernel calculation in tokamak geometry; results of 2-D full wave simulations in the cold plasma model in tokamak geometry using the formulated approach; results of self-consistent calculations of hot plasma dielectric response and RF fields in 1-D mirror magnetic field; preliminary results of self-consistent simulations of 2-D RF fields in tokamak using the calculated hot plasma conductivity kernel; development of iterative solver for wave equations. Work is supported by the U.S. DOE SBIR program.

Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory.

PubMed

Ishizuka, Ryosuke; Matubayasi, Nobuyuki

2016-02-09

A self-consistent scheme is developed to determine the atomic partial charges of ionic liquid. Molecular dynamics (MD) simulation was conducted to sample a set of ion configurations, and these configurations were subject to density functional theory (DFT) calculations to determine the partial charges. The charges were then averaged and used as inputs for the subsequent MD simulation, and MD and DFT calculations were repeated until the MD results are not altered any more. We applied this scheme to 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ([C1mim][NTf2]) and investigated its structure and dynamics as a function of temperature. At convergence, the average ionic charges were ±0.84 e at 350 K due to charge transfer among ions, where e is the elementary charge, while the reduced ionic charges do not affect strongly the density of [C1mim][NTf2] and radial distribution function. Instead, major effects are found on the energetics and dynamics, with improvements of the overestimated heat of vaporization and the too slow motions of ions observed in MD simulations using commonly used force fields.

On the Kennicutt-Schmidt Relation of Low-Metallicity High-Redshift Galaxies

NASA Astrophysics Data System (ADS)

Gnedin, Nickolay Y.; Kravtsov, Andrey V.

2010-05-01

We present results of self-consistent, high-resolution cosmological simulations of galaxy formation at z ~ 3. The simulations employ a recently developed recipe for star formation based on the local abundance of molecular hydrogen, which is tracked self-consistently during the course of simulation. The phenomenological H2 formation model accounts for the effects of dissociating UV radiation of stars in each galaxy, as well as self-shielding and shielding of H2 by dust, and therefore allows us to explore effects of lower metallicities and higher UV fluxes prevalent in high-redshift galaxies on their star formation. We compare stellar masses, metallicities, and star formation rates of the simulated galaxies to available observations of the Lyman break galaxies (LBGs) and find a reasonable agreement. We find that the Kennicutt-Schmidt (KS) relation exhibited by our simulated galaxies at z ≈ 3 is substantially steeper and has a lower amplitude than the z = 0 relation at ΣH <~ 100 M odot pc-2. The predicted relation, however, is consistent with existing observational constraints for the z ≈ 3 damped Lyα and LBGs. Our tests show that the main reason for the difference from the local KS relation is lower metallicity of the interstellar medium in high-redshift galaxies. We discuss several implications of the metallicity-dependence of the KS relation for galaxy evolution and interpretation of observations. In particular, we show that the observed size of high-redshift exponential disks depends sensitively on their KS relation. Our results also suggest that significantly reduced star formation efficiency at low gas surface densities can lead to strong suppression of star formation in low-mass high-redshift galaxies and long gas consumption time scales over most of the disks in large galaxies. The longer gas consumption time scales could make disks more resilient to major and minor mergers and could help explain the prevalence of the thin stellar disks in the local universe.

Shared control on lunar spacecraft teleoperation rendezvous operations with large time delay

NASA Astrophysics Data System (ADS)

Ya-kun, Zhang; Hai-yang, Li; Rui-xue, Huang; Jiang-hui, Liu

2017-08-01

Teleoperation could be used in space on-orbit serving missions, such as object deorbits, spacecraft approaches, and automatic rendezvous and docking back-up systems. Teleoperation rendezvous and docking in lunar orbit may encounter bottlenecks for the inherent time delay in the communication link and the limited measurement accuracy of sensors. Moreover, human intervention is unsuitable in view of the partial communication coverage problem. To solve these problems, a shared control strategy for teleoperation rendezvous and docking is detailed. The control authority in lunar orbital maneuvers that involves two spacecraft as rendezvous and docking in the final phase was discussed in this paper. The predictive display model based on the relative dynamic equations is established to overcome the influence of the large time delay in communication link. We discuss and attempt to prove via consistent, ground-based simulations the relative merits of fully autonomous control mode (i.e., onboard computer-based), fully manual control (i.e., human-driven at the ground station) and shared control mode. The simulation experiments were conducted on the nine-degrees-of-freedom teleoperation rendezvous and docking simulation platform. Simulation results indicated that the shared control methods can overcome the influence of time delay effects. In addition, the docking success probability of shared control method was enhanced compared with automatic and manual modes.

DMN Operational Synchrony Relates to Self-Consciousness: Evidence from Patients in Vegetative and Minimally Conscious States.

PubMed

Fingelkurts, Andrew A; Fingelkurts, Alexander A; Bagnato, Sergio; Boccagni, Cristina; Galardi, Giuseppe

2012-01-01

The default mode network (DMN) has been consistently activated across a wide variety of self-related tasks, leading to a proposal of the DMN's role in self-related processing. Indeed, there is limited fMRI evidence that the functional connectivity within the DMN may underlie a phenomenon referred to as self-awareness. At the same time, none of the known studies have explicitly investigated neuronal functional interactions among brain areas that comprise the DMN as a function of self-consciousness loss. To fill this gap, EEG operational synchrony analysis [1, 2] was performed in patients with severe brain injuries in vegetative and minimally conscious states to study the strength of DMN operational synchrony as a function of self-consciousness expression. We demonstrated that the strength of DMN EEG operational synchrony was smallest or even absent in patients in vegetative state, intermediate in patients in minimally conscious state and highest in healthy fully self-conscious subjects. At the same time the process of ecoupling of operations performed by neuronal assemblies that comprise the DMN was highest in patients in vegetative state, intermediate in patients in minimally conscious state and minimal in healthy fully self-conscious subjects. The DMN's frontal EEG operational module had the strongest decrease in operational synchrony strength as a function of selfconsciousness loss, when compared with the DMN's posterior modules. Based on these results it is suggested that the strength of DMN functional connectivity could mediate the strength of self-consciousness expression. The observed alterations similarly occurred across EEG alpha, beta1 and beta2 frequency oscillations. Presented results suggest that the EEG operational synchrony within DMN may provide an objective and accurate measure for the assessment of signs of self-(un)consciousness in these challenging patient populations. This method therefore, may complement the current diagnostic procedures for patients with severe brain injuries and, hence, the planning of a rational rehabilitation intervention.

DMN Operational Synchrony Relates to Self-Consciousness: Evidence from Patients in Vegetative and Minimally Conscious States

PubMed Central

Fingelkurts, Andrew A; Fingelkurts, Alexander A; Bagnato, Sergio; Boccagni, Cristina; Galardi, Giuseppe

2012-01-01

The default mode network (DMN) has been consistently activated across a wide variety of self-related tasks, leading to a proposal of the DMN’s role in self-related processing. Indeed, there is limited fMRI evidence that the functional connectivity within the DMN may underlie a phenomenon referred to as self-awareness. At the same time, none of the known studies have explicitly investigated neuronal functional interactions among brain areas that comprise the DMN as a function of self-consciousness loss. To fill this gap, EEG operational synchrony analysis [1, 2] was performed in patients with severe brain injuries in vegetative and minimally conscious states to study the strength of DMN operational synchrony as a function of self-consciousness expression. We demonstrated that the strength of DMN EEG operational synchrony was smallest or even absent in patients in vegetative state, intermediate in patients in minimally conscious state and highest in healthy fully self-conscious subjects. At the same time the process of ecoupling of operations performed by neuronal assemblies that comprise the DMN was highest in patients in vegetative state, intermediate in patients in minimally conscious state and minimal in healthy fully self-conscious subjects. The DMN’s frontal EEG operational module had the strongest decrease in operational synchrony strength as a function of selfconsciousness loss, when compared with the DMN’s posterior modules. Based on these results it is suggested that the strength of DMN functional connectivity could mediate the strength of self-consciousness expression. The observed alterations similarly occurred across EEG alpha, beta1 and beta2 frequency oscillations. Presented results suggest that the EEG operational synchrony within DMN may provide an objective and accurate measure for the assessment of signs of self-(un)consciousness in these challenging patient populations. This method therefore, may complement the current diagnostic procedures for patients with severe brain injuries and, hence, the planning of a rational rehabilitation intervention. PMID:22905075

Multiple imputation of covariates by fully conditional specification: Accommodating the substantive model

PubMed Central

Seaman, Shaun R; White, Ian R; Carpenter, James R

2015-01-01

Missing covariate data commonly occur in epidemiological and clinical research, and are often dealt with using multiple imputation. Imputation of partially observed covariates is complicated if the substantive model is non-linear (e.g. Cox proportional hazards model), or contains non-linear (e.g. squared) or interaction terms, and standard software implementations of multiple imputation may impute covariates from models that are incompatible with such substantive models. We show how imputation by fully conditional specification, a popular approach for performing multiple imputation, can be modified so that covariates are imputed from models which are compatible with the substantive model. We investigate through simulation the performance of this proposal, and compare it with existing approaches. Simulation results suggest our proposal gives consistent estimates for a range of common substantive models, including models which contain non-linear covariate effects or interactions, provided data are missing at random and the assumed imputation models are correctly specified and mutually compatible. Stata software implementing the approach is freely available. PMID:24525487

Fully moderated T-statistic for small sample size gene expression arrays.

PubMed

Yu, Lianbo; Gulati, Parul; Fernandez, Soledad; Pennell, Michael; Kirschner, Lawrence; Jarjoura, David

2011-09-15

Gene expression microarray experiments with few replications lead to great variability in estimates of gene variances. Several Bayesian methods have been developed to reduce this variability and to increase power. Thus far, moderated t methods assumed a constant coefficient of variation (CV) for the gene variances. We provide evidence against this assumption, and extend the method by allowing the CV to vary with gene expression. Our CV varying method, which we refer to as the fully moderated t-statistic, was compared to three other methods (ordinary t, and two moderated t predecessors). A simulation study and a familiar spike-in data set were used to assess the performance of the testing methods. The results showed that our CV varying method had higher power than the other three methods, identified a greater number of true positives in spike-in data, fit simulated data under varying assumptions very well, and in a real data set better identified higher expressing genes that were consistent with functional pathways associated with the experiments.

First-row diatomics: Calculation of the geometry and energetics using self-consistent gradient-functional approximations

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

Kutzler, F.W.; Painter, G.S.

1992-02-15

A fully self-consistent series of nonlocal (gradient) density-functional calculations has been carried out using the augmented-Gaussian-orbital method to determine the magnitude of gradient corrections to the potential-energy curves of the first-row diatomics, Li{sub 2} through F{sub 2}. Both the Langreth-Mehl-Hu and the Perdew-Wang gradient-density functionals were used in calculations of the binding energy, bond length, and vibrational frequency for each dimer. Comparison with results obtained in the local-spin-density approximation (LSDA) using the Vosko-Wilk-Nusair functional, and with experiment, reveals that bond lengths and vibrational frequencies are rather insensitive to details of the gradient functionals, including self-consistency effects, but the gradient correctionsmore » reduce the overbinding commonly observed in the LSDA calculations of first-row diatomics (with the exception of Li{sub 2}, the gradient-functional binding-energy error is only 50--12 % of the LSDA error). The improved binding energies result from a large differential energy lowering, which occurs in open-shell atoms relative to the diatomics. The stabilization of the atom arises from the use of nonspherical charge and spin densities in the gradient-functional calculations. This stabilization is negligibly small in LSDA calculations performed with nonspherical densities.« less

Effects of high-fidelity patient simulation led clinical reasoning course: Focused on nursing core competencies, problem solving, and academic self-efficacy.

PubMed

Lee, JuHee; Lee, Yoonju; Lee, Senah; Bae, Juyeon

2016-01-01

To examine the effects of high-fidelity patient simulation (HFPS) led clinical reasoning course among undergraduate nursing students. A quasi-experimental study of non-equivalent control group pretest-post test design was applied. A total of 49 senior nursing students participated in this study. The experimental group consisted of the students who took the "clinical reasoning" course (n = 23) while the control group consisted of students who did not (n = 26). Self-administered scales including the nursing core competencies, problem solving, academic self-efficacy, and Kolb learning style inventory were analyzed quantitatively using SPSS version 20.0. Data analysis was conducted using one-way ancova due to a significant difference in nursing core competencies between the experimental group and control group. There was a significant improvement in nursing core competencies in the experimental group (F = 7.747, P = 0.008). The scores of problem solving and academic self-efficacy were higher in the experimental group after the HFPS led clinical reasoning course without statistical difference. There is a need for the development of effective instructional methods to improve learning outcomes in nursing education. Future research is needed related to simulation education as well as management strategies so that learning outcomes can be achieved within different students' learning style. © 2015 The Authors. Japan Journal of Nursing Science © 2015 Japan Academy of Nursing Science.

Self-consistent asset pricing models

NASA Astrophysics Data System (ADS)

Malevergne, Y.; Sornette, D.

2007-08-01

We discuss the foundations of factor or regression models in the light of the self-consistency condition that the market portfolio (and more generally the risk factors) is (are) constituted of the assets whose returns it is (they are) supposed to explain. As already reported in several articles, self-consistency implies correlations between the return disturbances. As a consequence, the alphas and betas of the factor model are unobservable. Self-consistency leads to renormalized betas with zero effective alphas, which are observable with standard OLS regressions. When the conditions derived from internal consistency are not met, the model is necessarily incomplete, which means that some sources of risk cannot be replicated (or hedged) by a portfolio of stocks traded on the market, even for infinite economies. Analytical derivations and numerical simulations show that, for arbitrary choices of the proxy which are different from the true market portfolio, a modified linear regression holds with a non-zero value αi at the origin between an asset i's return and the proxy's return. Self-consistency also introduces “orthogonality” and “normality” conditions linking the betas, alphas (as well as the residuals) and the weights of the proxy portfolio. Two diagnostics based on these orthogonality and normality conditions are implemented on a basket of 323 assets which have been components of the S&P500 in the period from January 1990 to February 2005. These two diagnostics show interesting departures from dynamical self-consistency starting about 2 years before the end of the Internet bubble. Assuming that the CAPM holds with the self-consistency condition, the OLS method automatically obeys the resulting orthogonality and normality conditions and therefore provides a simple way to self-consistently assess the parameters of the model by using proxy portfolios made only of the assets which are used in the CAPM regressions. Finally, the factor decomposition with the self-consistency condition derives a risk-factor decomposition in the multi-factor case which is identical to the principal component analysis (PCA), thus providing a direct link between model-driven and data-driven constructions of risk factors. This correspondence shows that PCA will therefore suffer from the same limitations as the CAPM and its multi-factor generalization, namely lack of out-of-sample explanatory power and predictability. In the multi-period context, the self-consistency conditions force the betas to be time-dependent with specific constraints.

Determination of temperature dependence of full matrix material constants of PZT-8 piezoceramics using only one sample.

PubMed

Zhang, Yang; Tang, Liguo; Tian, Hua; Wang, Jiyang; Cao, Wenwu; Zhang, Zhongwu

2017-08-15

Resonant ultrasound spectroscopy (RUS) was used to determine the temperature dependence of full matrix material constants of PZT-8 piezoceramics from room temperature to 100 °C. Property variations from sample to samples can be eliminated by using only one sample, so that data self-consistency can be guaranteed. The RUS measurement system error was estimated to be lower than 2.35%. The obtained full matrix material constants at different temperatures all have excellent self-consistency, which can help accurately predict device performance at high temperatures using finite element simulations.

Properties of Turbulence in the Reconnection Exhaust: Numerical Simulations Compared with Observations

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

Pucci, F.; Olshevsky, V.; Lapenta, G.

2017-05-20

The properties of the turbulence that develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with reported observations of reconnection events in the magnetotail, investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show the development of a turbulent cascade consistent with spacecraft observations, statistics of the dissipation mechanisms in the turbulent outflows similar to the ones observed in reconnection jets inmore » the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.« less

Simulation of Mercury's magnetosheath with a combined hybrid-paraboloid model

NASA Astrophysics Data System (ADS)

Parunakian, David; Dyadechkin, Sergey; Alexeev, Igor; Belenkaya, Elena; Khodachenko, Maxim; Kallio, Esa; Alho, Markku

2017-08-01

In this paper we introduce a novel approach for modeling planetary magnetospheres that involves a combination of the hybrid model and the paraboloid magnetosphere model (PMM); we further refer to it as the combined hybrid model. While both of these individual models have been successfully applied in the past, their combination enables us both to overcome the traditional difficulties of hybrid models to develop a self-consistent magnetic field and to compensate the lack of plasma simulation in the PMM. We then use this combined model to simulate Mercury's magnetosphere and investigate the geometry and configuration of Mercury's magnetosheath controlled by various conditions in the interplanetary medium. The developed approach provides a unique comprehensive view of Mercury's magnetospheric environment for the first time. Using this setup, we compare the locations of the bow shock and the magnetopause as determined by simulations with the locations predicted by stand-alone PMM runs and also verify the magnetic and dynamic pressure balance at the magnetopause. We also compare the results produced by these simulations with observational data obtained by the magnetometer on board the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft along a dusk-dawn orbit and discuss the signatures of the magnetospheric features that appear in these simulations. Overall, our analysis suggests that combining the semiempirical PMM with a self-consistent global kinetic model creates new modeling possibilities which individual models cannot provide on their own.

Self-regulation of turbulence in low rotation DIII-D QH-mode with an oscillating transport barrier

NASA Astrophysics Data System (ADS)

Barada, Kshitish; Rhodes, T. L.; Burrell, K. H.; Zeng, L.; Chen, Xi

2016-10-01

We present observations of turbulence and flow shear limit cycle oscillations (LCOs) in wide pedestal QH-mode DIII-D tokamak plasmas that are consistent with turbulence self-regulation. In this low input torque regime, both edge harmonic oscillations (EHOs) and ELMs are absent. LCOs of ExB velocity shear and ñ present predator-prey like behavior in these fully developed QH-mode plasmas. During these limit cycle oscillations, the ExB poloidal flows possess a long-range toroidal correlation consistent with turbulence generated zonal flow activity. Further, these limit cycle oscillations are observed in a broad range of edge parameters including ne, Te, floor Langmuir probe ion saturation current, and radial electric field Er. TRANSP calculations of transport indicate little change between the EHO and LCO wide pedestal phases. These observations are consistent with LCO driven transport that may play a role in maintaining the profiles below ELM threshold in the EHO-free steady state wide pedestal QH-mode regime. Work supported by the US DOE under DE-FG02-08ER54984 and DE-FC02-04ER54698.

Integrated fusion simulation with self-consistent core-pedestal coupling

DOE PAGES

Meneghini, O.; Snyder, P. B.; Smith, S. P.; ...

2016-04-20

In this study, accurate prediction of fusion performance in present and future tokamaks requires taking into account the strong interplay between core transport, pedestal structure, current profile and plasma equilibrium. An integrated modeling workflow capable of calculating the steady-state self- consistent solution to this strongly-coupled problem has been developed. The workflow leverages state-of-the-art components for collisional and turbulent core transport, equilibrium and pedestal stability. Validation against DIII-D discharges shows that the workflow is capable of robustly pre- dicting the kinetic profiles (electron and ion temperature and electron density) from the axis to the separatrix in good agreement with the experiments.more » An example application is presented, showing self-consistent optimization for the fusion performance of the 15 MA D-T ITER baseline scenario as functions of the pedestal density and ion effective charge Z eff.« less

Experimental and ab initio molecular dynamics simulation studies of liquid Al60Cu40 alloy

NASA Astrophysics Data System (ADS)

Wang, S. Y.; Kramer, M. J.; Xu, M.; Wu, S.; Hao, S. G.; Sordelet, D. J.; Ho, K. M.; Wang, C. Z.

2009-04-01

X-ray diffraction and ab initio molecular dynamics simulation studies of molten Al60Cu40 have been carried out between 973 and 1323 K. The structures obtained from our simulated atomic models are fully consistent with the experimental results. The local structures of the models analyzed using Honeycutt-Andersen and Voronoi tessellation methods clearly demonstrate that as the temperatures of the liquid is lowered it becomes more ordered. While no one cluster-type dominates the local structure of this liquid, the most prevalent polyhedra in the liquid structure can be described as distorted icosahedra. No obvious correlations between the clusters observed in the liquid and known stable crystalline phases in this system were observed.

Time-Accurate Simulations and Acoustic Analysis of Slat Free-Shear-Layer. Part 2

NASA Technical Reports Server (NTRS)

Khorrami, Mehdi R.; Singer, Bart A.; Lockard, David P.

2002-01-01

Unsteady computational simulations of a multi-element, high-lift configuration are performed. Emphasis is placed on accurate spatiotemporal resolution of the free shear layer in the slat-cove region. The excessive dissipative effects of the turbulence model, so prevalent in previous simulations, are circumvented by switching off the turbulence-production term in the slat cove region. The justifications and physical arguments for taking such a step are explained in detail. The removal of this excess damping allows the shear layer to amplify large-scale structures, to achieve a proper non-linear saturation state, and to permit vortex merging. The large-scale disturbances are self-excited, and unlike our prior fully turbulent simulations, no external forcing of the shear layer is required. To obtain the farfield acoustics, the Ffowcs Williams and Hawkings equation is evaluated numerically using the simulated time-accurate flow data. The present comparison between the computed and measured farfield acoustic spectra shows much better agreement for the amplitude and frequency content than past calculations. The effect of the angle-of-attack on the slat's flow features radiated acoustic field are also simulated presented.

Bringing global gyrokinetic turbulence simulations to the transport timescale using a multiscale approach

NASA Astrophysics Data System (ADS)

Parker, Jeffrey B.; LoDestro, Lynda L.; Told, Daniel; Merlo, Gabriele; Ricketson, Lee F.; Campos, Alejandro; Jenko, Frank; Hittinger, Jeffrey A. F.

2018-05-01

The vast separation dividing the characteristic times of energy confinement and turbulence in the core of toroidal plasmas makes first-principles prediction on long timescales extremely challenging. Here we report the demonstration of a multiple-timescale method that enables coupling global gyrokinetic simulations with a transport solver to calculate the evolution of the self-consistent temperature profile. This method, which exhibits resiliency to the intrinsic fluctuations arising in turbulence simulations, holds potential for integrating nonlocal gyrokinetic turbulence simulations into predictive, whole-device models.

Magnetic field extrapolation with MHD relaxation using AWSoM

NASA Astrophysics Data System (ADS)

Shi, T.; Manchester, W.; Landi, E.

2017-12-01

Coronal mass ejections are known to be the major source of disturbances in the solar wind capable of affecting geomagnetic environments. In order for accurate predictions of such space weather events, a data-driven simulation is needed. The first step towards such a simulation is to extrapolate the magnetic field from the observed field that is only at the solar surface. Here we present results of a new code of magnetic field extrapolation with direct magnetohydrodynamics (MHD) relaxation using the Alfvén Wave Solar Model (AWSoM) in the Space Weather Modeling Framework. The obtained field is self-consistent with our model and can be used later in time-dependent simulations without modifications of the equations. We use the Low and Lou analytical solution to test our results and they reach a good agreement. We also extrapolate the magnetic field from the observed data. We then specify the active region corona field with this extrapolation result in the AWSoM model and self-consistently calculate the temperature of the active region loops with Alfvén wave dissipation. Multi-wavelength images are also synthesized.

Experimental and modeling uncertainties in the validation of lower hybrid current drive

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

Poli, F. M.; Bonoli, P. T.; Chilenski, M.

Our work discusses sources of uncertainty in the validation of lower hybrid wave current drive simulations against experiments, by evolving self-consistently the magnetic equilibrium and the heating and current drive profiles, calculated with a combined toroidal ray tracing code and 3D Fokker–Planck solver. The simulations indicate a complex interplay of elements, where uncertainties in the input plasma parameters, in the models and in the transport solver combine and compensate each other, at times. It is concluded that ray-tracing calculations should include a realistic representation of the density and temperature in the region between the confined plasma and the wall, whichmore » is especially important in regimes where the LH waves are weakly damped and undergo multiple reflections from the plasma boundary. Uncertainties introduced in the processing of diagnostic data as well as uncertainties introduced by model approximations are assessed. We show that, by comparing the evolution of the plasma parameters in self-consistent simulations with available data, inconsistencies can be identified and limitations in the models or in the experimental data assessed.« less

Unfolding of Proteins: Thermal and Mechanical Unfolding

NASA Technical Reports Server (NTRS)

Hur, Joe S.; Darve, Eric

2004-01-01

We have employed a Hamiltonian model based on a self-consistent Gaussian appoximation to examine the unfolding process of proteins in external - both mechanical and thermal - force elds. The motivation was to investigate the unfolding pathways of proteins by including only the essence of the important interactions of the native-state topology. Furthermore, if such a model can indeed correctly predict the physics of protein unfolding, it can complement more computationally expensive simulations and theoretical work. The self-consistent Gaussian approximation by Micheletti et al. has been incorporated in our model to make the model mathematically tractable by signi cantly reducing the computational cost. All thermodynamic properties and pair contact probabilities are calculated by simply evaluating the values of a series of Incomplete Gamma functions in an iterative manner. We have compared our results to previous molecular dynamics simulation and experimental data for the mechanical unfolding of the giant muscle protein Titin (1TIT). Our model, especially in light of its simplicity and excellent agreement with experiment and simulation, demonstrates the basic physical elements necessary to capture the mechanism of protein unfolding in an external force field.

Experimental and modeling uncertainties in the validation of lower hybrid current drive

DOE PAGES

Poli, F. M.; Bonoli, P. T.; Chilenski, M.; ...

2016-07-28

Our work discusses sources of uncertainty in the validation of lower hybrid wave current drive simulations against experiments, by evolving self-consistently the magnetic equilibrium and the heating and current drive profiles, calculated with a combined toroidal ray tracing code and 3D Fokker–Planck solver. The simulations indicate a complex interplay of elements, where uncertainties in the input plasma parameters, in the models and in the transport solver combine and compensate each other, at times. It is concluded that ray-tracing calculations should include a realistic representation of the density and temperature in the region between the confined plasma and the wall, whichmore » is especially important in regimes where the LH waves are weakly damped and undergo multiple reflections from the plasma boundary. Uncertainties introduced in the processing of diagnostic data as well as uncertainties introduced by model approximations are assessed. We show that, by comparing the evolution of the plasma parameters in self-consistent simulations with available data, inconsistencies can be identified and limitations in the models or in the experimental data assessed.« less

Modeling ECCD/MHD coupling using NIMROD, GENRAY, and the Integrated Plasma Simulator

NASA Astrophysics Data System (ADS)

Jenkins, Thomas G.; Schnack, D. D.; Sovinec, C. R.; Hegna, C. C.; Callen, J. D.; Ebrahimi, F.; Kruger, S. E.; Carlsson, J.; Held, E. D.; Ji, J.-Y.; Harvey, R. W.; Smirnov, A. P.; Elwasif, W. R.

2009-11-01

We summarize ongoing theoretical/numerical work relevant to the development of a self--consistent framework for the inclusion of RF effects in fluid simulations; specifically, we consider the stabilization of resistive tearing modes in tokamak geometry by electron cyclotron current drive. In the fluid equations, ad hoc models for the RF--induced currents have previously been shown to shrink or altogether suppress the nonlinearly saturated magnetic islands generated by tearing modes; progress toward a self--consistent model is reported. The interfacing of the NIMROD [1] code with the GENRAY/CQL3D [2] codes (which calculate RF propagation and energy/momentum deposition) via the Integrated Plasma Simulator (IPS) framework [3] is explained, RF-induced rational surface motion and the equilibration of RF--induced currents over plasma flux surfaces are investigated, and the efficient reduction of saturated island widths through time modulation and spatial localization of the ECCD is explored. [1] Sovinec et al., JCP 195, 355 (2004) [2]www.compxco.com [3] Both the IPS development and the research presented here are part of the SWIM project. Funded by U.S. DoE.

Implementation of the infinite-range exterior complex scaling to the time-dependent complete-active-space self-consistent-field method

NASA Astrophysics Data System (ADS)

Orimo, Yuki; Sato, Takeshi; Scrinzi, Armin; Ishikawa, Kenichi L.

2018-02-01

We present a numerical implementation of the infinite-range exterior complex scaling [Scrinzi, Phys. Rev. A 81, 053845 (2010), 10.1103/PhysRevA.81.053845] as an efficient absorbing boundary to the time-dependent complete-active-space self-consistent field method [Sato, Ishikawa, Březinová, Lackner, Nagele, and Burgdörfer, Phys. Rev. A 94, 023405 (2016), 10.1103/PhysRevA.94.023405] for multielectron atoms subject to an intense laser pulse. We introduce Gauss-Laguerre-Radau quadrature points to construct discrete variable representation basis functions in the last radial finite element extending to infinity. This implementation is applied to strong-field ionization and high-harmonic generation in He, Be, and Ne atoms. It efficiently prevents unphysical reflection of photoelectron wave packets at the simulation boundary, enabling accurate simulations with substantially reduced computational cost, even under significant (≈50 % ) double ionization. For the case of a simulation of high-harmonic generation from Ne, for example, 80% cost reduction is achieved, compared to a mask-function absorption boundary.

Coincident measurements of prompt fission γ rays and fission fragments at DANCE

NASA Astrophysics Data System (ADS)

Walker, C. L.; Baramsai, B.; Jandel, M.; Rusev, G.; Couture, A.; Mosby, S.; Ullmann, J.; Kawano, T.; Stetcu, I.; Talou, P.

2015-10-01

Modern statistical approaches to modeling fission involve the calculation of not only average quantities but also fully correlated distributions of all fission products. Applications such as those involving the detection of special nuclear materials also rely on fully correlated data of fission products. Experimental measurements of correlated data are thus critical to the validation of theory and the development of important applications. The goal of this experiment was to measure properties of prompt fission gamma-ray emission as a function of fission fragments' total kinetic energy in the spontaneous fission of 252Cf. The measurement was carried out at the Detector for Advanced Neutron Capture Experiments (DANCE), a 4 π γ-ray calorimeter. A prototype design consisting of two silicon detectors was installed in the center of DANCE, allowing simultaneous measurement of fission fragments and γ rays. Effort has been taken to simulate fragment kinetic energy losses as well as γ-ray attenuation in DANCE using such tools as GEANT4 and SRIM. Theoretical predictions generated by the code CGMF were also incorporated as input for these simulations. Results from the experiment and simulations will be presented, along with plans for future measurements.

The effects of scenario-based communication training on nurses' communication competence and self-efficacy and myocardial infarction knowledge.

PubMed

Hsu, Li-Ling; Huang, Ya-Hsuan; Hsieh, Suh-Ing

2014-06-01

The aim of the study was to determine the effects of a simulated communication training course on nurses' communication competence, self-efficacy, communication performance, myocardial infarction knowledge, and general satisfaction with their learning experience. A randomized controlled trial was conducted with a pre-test and two post-tests. The experimental group underwent simulated communication training course and the control group received a case-based communication training course. The experimental group made more significant improvement in competence and self-efficacy in communication from pre-test to the second post-test than the control group. Although both groups' satisfaction with their learning experience significantly increased from the first post-test to the second post-test, the experimental group was found to be more satisfied with their learning experience than the control group. No significant differences in communication performance and myocardial infarction knowledge between the two groups were identified. Scenario-based communication training can be more fully incorporated into in-service education for nurses to boost their competence and self-efficacy in communication and enhance their communication performance in myocardial infarction patient care. Introduction of real-life communication scenarios through multimedia in communication education could make learners more motivated to practice communication, hence leading to improved communication capacity. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

System Simulation by Recursive Feedback: Coupling A Set of Stand-Alone Subsystem Simulations

NASA Technical Reports Server (NTRS)

Nixon, Douglas D.; Hanson, John M. (Technical Monitor)

2002-01-01

Recursive feedback is defined and discussed as a framework for development of specific algorithms and procedures that propagate the time-domain solution for a dynamical system simulation consisting of multiple numerically coupled self-contained stand-alone subsystem simulations. A satellite motion example containing three subsystems (other dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Centralized and distributed versions of coupling structure have been addressed. Numerical results are evaluated by direct comparison with a standard total-system simultaneous-solution approach.

Dimension of ring polymers in bulk studied by Monte-Carlo simulation and self-consistent theory.

PubMed

Suzuki, Jiro; Takano, Atsushi; Deguchi, Tetsuo; Matsushita, Yushu

2009-10-14

We studied equilibrium conformations of ring polymers in melt over the wide range of segment number N of up to 4096 with Monte-Carlo simulation and obtained N dependence of radius of gyration of chains R(g). The simulation model used is bond fluctuation model (BFM), where polymer segments bear excluded volume; however, the excluded volume effect vanishes at N-->infinity, and linear polymer can be regarded as an ideal chain. Simulation for ring polymers in melt was performed, and the nu value in the relationship R(g) proportional to N(nu) is decreased gradually with increasing N, and finally it reaches the limiting value, 1/3, in the range of N>or=1536, i.e., R(g) proportional to N(1/3). We confirmed that the simulation result is consistent with that of the self-consistent theory including the topological effect and the osmotic pressure of ring polymers. Moreover, the averaged chain conformation of ring polymers in equilibrium state was given in the BFM. In small N region, the segment density of each molecule near the center of mass of the molecule is decreased with increasing N. In large N region the decrease is suppressed, and the density is found to be kept constant without showing N dependence. This means that ring polymer molecules do not segregate from the other molecules even if ring polymers in melt have the relationship nu=1/3. Considerably smaller dimensions of ring polymers at high molecular weight are due to their inherent nature of having no chain ends, and hence they have less-entangled conformations.

Advanced Distributed Simulation Technology II (ADST-II) Dismounted Warrior Network Front End Analysis Experiments

DTIC Science & Technology

1997-12-19

Resource Consultants Inc. (RCI) Science Applications InternatT Corp (SAIC) Veda Inc. Virtual Space Devices (VSD) 1.1 Background The Land Warrior...network. The VICs included: • VIC Alpha - a fully immersive Dismounted Soldier System developed by Veda under a STRICOM applied research effort...consists of the Dismounted Soldier System (DSS), which is characterized as follows: • Developed by Veda under a STRICOM applied research effort

Heat transfer and fluid flow analysis of self-healing in metallic materials

NASA Astrophysics Data System (ADS)

Martínez Lucci, J.; Amano, R. S.; Rohatgi, P. K.

2017-03-01

This paper explores imparting self-healing characteristics to metal matrices similar to what are observed in biological systems and are being developed for polymeric materials. To impart self-healing properties to metal matrices, a liquid healing method was investigated; the met hod consists of a container filled with low melting alloy acting as a healing agent, embedded into a high melting metal matrix. When the matrix is cracked; self-healing is achieved by melting the healing agent allowing the liquid metal to flow into the crack. Upon cooling, solidification of the healing agent occurs and seals the crack. The objective of this research is to investigate the fluid flow and heat transfer to impart self-healing property to metal matrices. In this study, a dimensionless healing factor, which may help predict the possibility of healing is proposed. The healing factor is defined as the ratio of the viscous forces and the contact area of liquid metal and solid which prevent flow, and volume expansion, density, and velocity of the liquid metal, gravity, crack size and orientation which promote flow. The factor incorporates the parameters that control self-healing mechanism. It was observed that for lower values of the healing factor, the liquid flows, and for higher values of healing factor, the liquid remains in the container and healing does not occur. To validate and identify the critical range of the healing factor, experiments and simulations were performed for selected combinations of healing agents and metal matrices. The simulations were performed for three-dimensional models and a commercial software 3D Ansys-Fluent was used. Three experimental methods of synthesis of self-healing composites were used. The first method consisted of creating a hole in the matrices, and liquid healing agent was poured into the hole. The second method consisted of micro tubes containing the healing agent, and the third method consisted of incorporating micro balloons containing the healing agent in the matrix. The observed critical range of the healing factor is between 407 and 495; only for healing factor values below 407 healing was observed in the matrices.

Evolutions of lamellar structure during melting and solidification of Fe9577 nanoparticle from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Wu, Yongquan; Shen, Tong; Lu, Xionggang

2013-03-01

A structural evolution during solidification and melting processes of nanoparticle Fe9577 was investigated from MD simulations. A perfect lamellar structure, consisting alternately of fcc and hcp layers, was obtained from solidification process. A structural heredity of early embryo is proposed to explain the structural preference of solidification. Defects were found inside the solid core and play the same role as surface premelting on melting. hcp was found more stable than fcc in high temperature. The difference between melting and solidification points can be deduced coming fully from the overcoming of thermodynamic energy barrier, instead of kinetic delay of structural relaxation.

Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations

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

Laowanapiban, Poramaet; Kapustina, Maryna; Vonrhein, Clemens

2009-03-05

Two new crystal structures of Bacillus stearothermophilus tryptophanyl-tRNA synthetase (TrpRS) afford evidence that a closed interdomain hinge angle requires a covalent bond between AMP and an occupant of either pyrophosphate or tryptophan subsite. They also are within experimental error of a cluster of structures observed in a nonequilibrium molecular dynamics simulation showing partial active-site assembly. Further, the highest energy structure in a minimum action pathway computed by using elastic network models for Open and Pretransition state (PreTS) conformations for the fully liganded TrpRS monomer is intermediate between that simulated structure and a partially disassembled structure from a nonequilibrium molecular dynamicsmore » trajectory for the unliganded PreTS. These mutual consistencies provide unexpected validation of inferences drawn from molecular simulations.« less

Self-Organized Supercriticality and Oscillations in Networks of Stochastic Spiking Neurons

NASA Astrophysics Data System (ADS)

Costa, Ariadne; Brochini, Ludmila; Kinouchi, Osame

2017-08-01

Networks of stochastic spiking neurons are interesting models in the area of Theoretical Neuroscience, presenting both continuous and discontinuous phase transitions. Here we study fully connected networks analytically, numerically and by computational simulations. The neurons have dynamic gains that enable the network to converge to a stationary slightly supercritical state (self-organized supercriticality or SOSC) in the presence of the continuous transition. We show that SOSC, which presents power laws for neuronal avalanches plus some large events, is robust as a function of the main parameter of the neuronal gain dynamics. We discuss the possible applications of the idea of SOSC to biological phenomena like epilepsy and dragon king avalanches. We also find that neuronal gains can produce collective oscillations that coexists with neuronal avalanches, with frequencies compatible with characteristic brain rhythms.

An Advanced simulation Code for Modeling Inductive Output Tubes

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

Thuc Bui; R. Lawrence Ives

2012-04-27

During the Phase I program, CCR completed several major building blocks for a 3D large signal, inductive output tube (IOT) code using modern computer language and programming techniques. These included a 3D, Helmholtz, time-harmonic, field solver with a fully functional graphical user interface (GUI), automeshing and adaptivity. Other building blocks included the improved electrostatic Poisson solver with temporal boundary conditions to provide temporal fields for the time-stepping particle pusher as well as the self electric field caused by time-varying space charge. The magnetostatic field solver was also updated to solve for the self magnetic field caused by time changing currentmore » density in the output cavity gap. The goal function to optimize an IOT cavity was also formulated, and the optimization methodologies were investigated.« less

Self-deception as self-signalling: a model and experimental evidence

PubMed Central

Mijović-Prelec, Danica; Prelec, Draz̆en

2010-01-01

Self-deception has long been the subject of speculation and controversy in psychology, evolutionary biology and philosophy. According to an influential ‘deflationary’ view, the concept is an over-interpretation of what is in reality an instance of motivationally biased judgement. The opposite view takes the interpersonal deception analogy seriously, and holds that some part of the self actively manipulates information so as to mislead the other part. Building on an earlier self-signalling model of Bodner and Prelec, we present a game-theoretic model of self-deception. We propose that two distinct mechanisms collaborate to produce overt expressions of belief: a mechanism responsible for action selection (including verbal statements) and an interpretive mechanism that draws inferences from actions and generates emotional responses consistent with the inferences. The model distinguishes between two modes of self-deception, depending on whether the self-deceived individual regards his own statements as fully credible. The paper concludes with a new experimental study showing that self-deceptive judgements can be reliably and repeatedly elicited with financial incentives in a categorization task, and that the degree of self-deception varies with incentives. The study also finds evidence of the two forms of self-deception. The psychological benefits of self-deception, as measured by confidence, peak at moderate levels. PMID:20026461

Low energy electron transport in furfural

NASA Astrophysics Data System (ADS)

Lozano, Ana I.; Krupa, Kateryna; Ferreira da Silva, Filipe; Limão-Vieira, Paulo; Blanco, Francisco; Muñoz, Antonio; Jones, Darryl B.; Brunger, Michael J.; García, Gustavo

2017-09-01

We report on an initial investigation into the transport of electrons through a gas cell containing 1 mTorr of gaseous furfural. Results from our Monte Carlo simulation are implicitly checked against those from a corresponding electron transmission measurement. To enable this simulation a self-consistent cross section data base was constructed. This data base is benchmarked through new total cross section measurements which are also described here. In addition, again to facilitate the simulation, our preferred energy loss distribution function is presented and discussed.

Hydro-Mechanical Modelling of Slow Slip Phenomena at the Subduction Interface.

NASA Astrophysics Data System (ADS)

Petrini, C.; Gerya, T.; Madonna, C.; van Dinther, Y.

2016-12-01

Subduction zones experience a spectrum of slip phenomena, ranging from large devastating megathrust earthquakes to aseismic slow slip events. Slow slip events, lasting hours to years and being perceptible only by instruments, are believed to have the capability to induce large earthquakes. It is also repeatedly proposed that such slow events are controlled by fluid-rock interactions along the subduction interface, thus calling for development of fully coupled seismo-hydro-mechanical modeling approaches to identify their physics and controlling parameters. We present a newly developed finite difference visco-elasto-plastic numerical code with marker-in-cell technique, which fully couples mechanical deformation and fluid flow. We use this to investigate how the presence of fluids in the pore space of a (de)compacting rock matrix affects elastic stress accumulation and release along a fluid-bearing subduction interface. The model simulates the spontaneous occurrence of quasi-periodic slow slip phenomena along self-consistently forming highly localized shearbands, which accommodate shear displacement between two plates. The produced elastic rebound events show a slip velocity on the order of cm/yr, which is in good agreement with measured data. The governing gradual strength decrease along the slowly propagating shear bands is related to a drop in total pressure caused by shear localization at nearly constant (slightly decreasing) fluid pressure. Gradual reduction of the difference between the total and fluid pressure decreases brittle/plastic strength of fluid-bearing rocks along the shear bands, thus providing a dynamic feedback mechanism for the accumulated elastic stress release at the subduction interface.

Gyrokinetic neoclassical study of the bootstrap current in the tokamak edge pedestal with fully non-linear Coulomb collisions

DOE PAGES

Hager, Robert; Chang, C. S.

2016-04-08

As a follow-up on the drift-kinetic study of the non-local bootstrap current in the steep edge pedestal of tokamak plasma by Koh et al. [Phys. Plasmas 19, 072505 (2012)], a gyrokinetic neoclassical study is performed with gyrokinetic ions and drift-kinetic electrons. Besides the gyrokinetic improvement of ion physics from the drift-kinetic treatment, a fully non-linear Fokker-Planck collision operator—that conserves mass, momentum, and energy—is used instead of Koh et al.'s linearized collision operator in consideration of the possibility that the ion distribution function is non-Maxwellian in the steep pedestal. An inaccuracy in Koh et al.'s result is found in the steepmore » edge pedestal that originated from a small error in the collisional momentum conservation. The present study concludes that (1) the bootstrap current in the steep edge pedestal is generally smaller than what has been predicted from the small banana-width (local) approximation [e.g., Sauter et al., Phys. Plasmas 6, 2834 (1999) and Belli et al., Plasma Phys. Controlled Fusion 50, 095010 (2008)], (2) the plasma flow evaluated from the local approximation can significantly deviate from the non-local results, and (3) the bootstrap current in the edge pedestal, where the passing particle region is small, can be dominantly carried by the trapped particles in a broad trapped boundary layer. In conclusion, a new analytic formula based on numerous gyrokinetic simulations using various magnetic equilibria and plasma profiles with self-consistent Grad-Shafranov solutions is constructed.« less

Gyrokinetic neoclassical study of the bootstrap current in the tokamak edge pedestal with fully non-linear Coulomb collisions

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

Hager, Robert; Chang, C. S.

As a follow-up on the drift-kinetic study of the non-local bootstrap current in the steep edge pedestal of tokamak plasma by Koh et al. [Phys. Plasmas 19, 072505 (2012)], a gyrokinetic neoclassical study is performed with gyrokinetic ions and drift-kinetic electrons. Besides the gyrokinetic improvement of ion physics from the drift-kinetic treatment, a fully non-linear Fokker-Planck collision operator—that conserves mass, momentum, and energy—is used instead of Koh et al.'s linearized collision operator in consideration of the possibility that the ion distribution function is non-Maxwellian in the steep pedestal. An inaccuracy in Koh et al.'s result is found in the steepmore » edge pedestal that originated from a small error in the collisional momentum conservation. The present study concludes that (1) the bootstrap current in the steep edge pedestal is generally smaller than what has been predicted from the small banana-width (local) approximation [e.g., Sauter et al., Phys. Plasmas 6, 2834 (1999) and Belli et al., Plasma Phys. Controlled Fusion 50, 095010 (2008)], (2) the plasma flow evaluated from the local approximation can significantly deviate from the non-local results, and (3) the bootstrap current in the edge pedestal, where the passing particle region is small, can be dominantly carried by the trapped particles in a broad trapped boundary layer. In conclusion, a new analytic formula based on numerous gyrokinetic simulations using various magnetic equilibria and plasma profiles with self-consistent Grad-Shafranov solutions is constructed.« less

Gyrokinetic neoclassical study of the bootstrap current in the tokamak edge pedestal with fully non-linear Coulomb collisions

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

Hager, Robert, E-mail: rhager@pppl.gov; Chang, C. S., E-mail: cschang@pppl.gov

As a follow-up on the drift-kinetic study of the non-local bootstrap current in the steep edge pedestal of tokamak plasma by Koh et al. [Phys. Plasmas 19, 072505 (2012)], a gyrokinetic neoclassical study is performed with gyrokinetic ions and drift-kinetic electrons. Besides the gyrokinetic improvement of ion physics from the drift-kinetic treatment, a fully non-linear Fokker-Planck collision operator—that conserves mass, momentum, and energy—is used instead of Koh et al.'s linearized collision operator in consideration of the possibility that the ion distribution function is non-Maxwellian in the steep pedestal. An inaccuracy in Koh et al.'s result is found in the steepmore » edge pedestal that originated from a small error in the collisional momentum conservation. The present study concludes that (1) the bootstrap current in the steep edge pedestal is generally smaller than what has been predicted from the small banana-width (local) approximation [e.g., Sauter et al., Phys. Plasmas 6, 2834 (1999) and Belli et al., Plasma Phys. Controlled Fusion 50, 095010 (2008)], (2) the plasma flow evaluated from the local approximation can significantly deviate from the non-local results, and (3) the bootstrap current in the edge pedestal, where the passing particle region is small, can be dominantly carried by the trapped particles in a broad trapped boundary layer. A new analytic formula based on numerous gyrokinetic simulations using various magnetic equilibria and plasma profiles with self-consistent Grad-Shafranov solutions is constructed.« less

Molecular dynamics simulations of electrostatics and hydration distributions around RNA and DNA motifs

NASA Astrophysics Data System (ADS)

Marlowe, Ashley E.; Singh, Abhishek; Semichaevsky, Andrey V.; Yingling, Yaroslava G.

2009-03-01

Nucleic acid nanoparticles can self-assembly through the formation of complementary loop-loop interactions or stem-stem interactions. Presence and concentration of ions can significantly affect the self-assembly process and the stability of the nanostructure. In this presentation we use explicit molecular dynamics simulations to examine the variations in cationic distributions and hydration environment around DNA and RNA helices and loop-loop interactions. Our simulations show that the potassium and sodium ionic distributions are different around RNA and DNA motifs which could be indicative of ion mediated relative stability of loop-loop complexes. Moreover in RNA loop-loop motifs ions are consistently present and exchanged through a distinct electronegative channel. We will also show how we used the specific RNA loop-loop motif to design a RNA hexagonal nanoparticle.

How Have Self-Incompatibility Haplotypes Diversified? Generation of New Haplotypes during the Evolution of Self-Incompatibility from Self-Compatibility.

PubMed

Sakai, Satoki

2016-08-01

I developed a gametophytic self-incompatibility (SI) model to study the conditions leading to diversification in SI haplotypes. In the model, the SI system is assumed to be incomplete, and the pollen expressing a given specificity is not fully rejected by the pistils expressing the same specificity. I also assumed that mutations can occur that enhance the rejection of pollen by pistils with the same haplotype variant and reduce rejection by pistils with other variants in the same haplotype. I found that if such mutations occur, the new haplotypes (mutant variants) can stably coexist with the ancestral haplotype in which the mutant arose. This is because pollen bearing the new haplotype is most strongly rejected by pistils bearing the same new haplotype among the pistils in the population; hence, negative frequency-dependent selection prevents their fixation. I also performed simulations and found that the nearly complete SI system evolves from completely self-compatible populations and that SI haplotypes can increase to about 40-50 within a few thousand generations. On the basis of my findings, I propose that diversification of SI haplotypes occurred during the evolution of SI from self-compatibility.

Event-based aquifer-to-atmosphere modeling over the European CORDEX domain

NASA Astrophysics Data System (ADS)

Keune, J.; Goergen, K.; Sulis, M.; Shrestha, P.; Springer, A.; Kusche, J.; Ohlwein, C.; Kollet, S. J.

2014-12-01

Despite the fact that recent studies focus on the impact of soil moisture on climate and especially land-energy feedbacks, groundwater dynamics are often neglected or conceptual groundwater flow models are used. In particular, in the context of climate change and the occurrence of droughts and floods, a better understanding and an improved simulation of the physical processes involving groundwater on continental scales is necessary. This requires the implementation of a physically consistent terrestrial modeling system, which explicitly incorporates groundwater dynamics and the connection with shallow soil moisture. Such a physics-based system enables simulations and monitoring of groundwater storage and enhanced representations of the terrestrial energy and hydrologic cycles over long time periods. On shorter timescales, the prediction of groundwater-related extremes, such as floods and droughts, are expected to improve, because of the improved simulation of components of the hydrological cycle. In this study, we present a fully coupled aquifer-to-atmosphere modeling system over the European CORDEX domain. The integrated Terrestrial Systems Modeling Platform, TerrSysMP, consisting of the three-dimensional subsurface model ParFlow, the Community Land Model CLM3.5 and the numerical weather prediction model COSMO of the German Weather Service, is used. The system is set up with a spatial resolution of 0.11° (12.5km) and closes the terrestrial water and energy cycles from aquifers into the atmosphere. Here, simulations of the fully coupled system are performed over events, such as the 2013 flood in Central Europe and the 2003 European heat wave, and over extended time periods on the order of 10 years. State and flux variables of the terrestrial hydrologic and energy cycle are analyzed and compared to both in situ (e.g. stream and water level gauge networks, FLUXNET) and remotely sensed observations (e.g. GRACE, ESA ICC ECV soil moisture and SMOS). Additionally, the presented modeling system may be useful in the assessment of groundwater-related uncertainties in virtual reality and scenario simulations.

Measuring third year undergraduate nursing students' reflective thinking skills and critical reflection self-efficacy following high fidelity simulation: A pilot study.

PubMed

Tutticci, Naomi; Lewis, Peter A; Coyer, Fiona

2016-05-01

Critical reflection underpins critical thinking, a highly desirable generic nursing graduate capability. To improve the likelihood of critical thinking transferring to clinical practice, reflective thinking needs to be measured within the learning space of simulation. This study was divided into two phases to address the reliability and validity measures of previously untested surveys. Phase One data was collected from individuals (n = 6) using a 'think aloud' approach and an expert panel to review content validity, and verbatim comment analysis was undertaken. The Reflective Thinking Instrument and Critical Reflection Self-Efficacy Visual Analogue Scale items were contextualised to simulation. The expert review confirmed these instruments exhibited content validity. Phase Two data was collected through an online survey (n = 58). Cronbach's alpha measured internal consistency and was demonstrated by all subscales and the Instrument as a whole (.849). There was a small to medium positive correlation between critical reflection self-efficacy and general self-efficacy (r = .324, n = 56, p = .048). Participant responses were positive regarding the simulation experience. The research findings demonstrated that the Reflective Thinking and Simulation Satisfaction survey is reliable. Further development of this survey to establish validity is recommended to make it viable. Copyright © 2016 Elsevier Ltd. All rights reserved.

Unraveling Hydrophobic Interactions at the Molecular Scale Using Force Spectroscopy and Molecular Dynamics Simulations.

PubMed

Stock, Philipp; Monroe, Jacob I; Utzig, Thomas; Smith, David J; Shell, M Scott; Valtiner, Markus

2017-03-28

Interactions between hydrophobic moieties steer ubiquitous processes in aqueous media, including the self-organization of biologic matter. Recent decades have seen tremendous progress in understanding these for macroscopic hydrophobic interfaces. Yet, it is still a challenge to experimentally measure hydrophobic interactions (HIs) at the single-molecule scale and thus to compare with theory. Here, we present a combined experimental-simulation approach to directly measure and quantify the sequence dependence and additivity of HIs in peptide systems at the single-molecule scale. We combine dynamic single-molecule force spectroscopy on model peptides with fully atomistic, both equilibrium and nonequilibrium, molecular dynamics (MD) simulations of the same systems. Specifically, we mutate a flexible (GS) 5 peptide scaffold with increasing numbers of hydrophobic leucine monomers and measure the peptides' desorption from hydrophobic self-assembled monolayer surfaces. Based on the analysis of nonequilibrium work-trajectories, we measure an interaction free energy that scales linearly with 3.0-3.4 k B T per leucine. In good agreement, simulations indicate a similar trend with 2.1 k B T per leucine, while also providing a detailed molecular view into HIs. This approach potentially provides a roadmap for directly extracting qualitative and quantitative single-molecule interactions at solid/liquid interfaces in a wide range of fields, including interactions at biointerfaces and adhesive interactions in industrial applications.

Analysis of photoelectron effect on the antenna impedance via Particle-In-Cell simulation

NASA Astrophysics Data System (ADS)

Miyake, Y.; Usui, H.

2008-08-01

We present photoelectron effects on the impedance of electric field antennas used for plasma wave investigations. To illustrate the photoelectron effects, we applied electromagnetic Particle-In-Cell simulation to the self-consistent antenna impedance analysis. We confirmed the formation of a dense photoelectron region around the sunlit surfaces of the antenna and the spacecraft. The dense photoelectrons enhance the real part, and decrease the absolute value of the imaginary part, of antenna impedance at low frequencies. We also showed that the antenna conductance can be analytically calculated from simulation results of the electron current flowing into or out of the antenna. The antenna impedance in the photoelectron environment is represented by a parallel equivalent circuit consisting of a capacitance and a resistance, which is consistent with empirical knowledge. The results also imply that the impedance varies with the spin of the spacecraft, which causes the variation of the photoelectron density around the antenna.

Close Companion Friends, Self-Expression, and Psychological Well-Being in Late Life

ERIC Educational Resources Information Center

Krause, Neal

2010-01-01

This study has two central aims. Both are associated with self-expression, which is defined as the ability to fully utilize one's own talents and abilities. The first goal is to see if self-expression reduces depressive symptoms over time whereas the second aim is to see whether close companion friends help older people more fully utilize their…

Factors associated with integrating self-management support into primary care.

PubMed

Crespo, Richard; Shrewsberry, Molly

2007-06-01

The purpose of this article is to expand the understanding of self-management support by describing factors that contribute to implementing a comprehensive self-management program in primary care. Four rural health centers in medically underserved areas participated in a study to document the implementation of a self-management program. This program consisted of a social marketing plan and decision-making tools to guide patients in making self-management behavior changes. The stages of change constructs of the transtheoretical model were used to design the social marketing plan. Key informant interviews were conducted at 6-month and 9-month intervals to document the implementation process. A standardized set of questions was used in the interviews. The data from the interviews were analyzed using content analysis techniques. One of the principle findings is that self-management support requires putting a system in place, not just adding a new component to primary care. The health centers that fully implemented the self-management program made an organizational commitment to keep self-management on the agenda in management meetings, clinical staff set the example by adopting self-management behaviors, and patient self-management support was implemented in multiple patient care venues. Primary care centers with limited financial resources are able to integrate self-management support into their system of chronic illness care.

A New Statistics-Based Online Baseline Restorer for a High Count-Rate Fully Digital System.

PubMed

Li, Hongdi; Wang, Chao; Baghaei, Hossain; Zhang, Yuxuan; Ramirez, Rocio; Liu, Shitao; An, Shaohui; Wong, Wai-Hoi

2010-04-01

The goal of this work is to develop a novel, accurate, real-time digital baseline restorer using online statistical processing for a high count-rate digital system such as positron emission tomography (PET). In high count-rate nuclear instrumentation applications, analog signals are DC-coupled for better performance. However, the detectors, pre-amplifiers and other front-end electronics would cause a signal baseline drift in a DC-coupling system, which will degrade the performance of energy resolution and positioning accuracy. Event pileups normally exist in a high-count rate system and the baseline drift will create errors in the event pileup-correction. Hence, a baseline restorer (BLR) is required in a high count-rate system to remove the DC drift ahead of the pileup correction. Many methods have been reported for BLR from classic analog methods to digital filter solutions. However a single channel BLR with analog method can only work under 500 kcps count-rate, and normally an analog front-end application-specific integrated circuits (ASIC) is required for the application involved hundreds BLR such as a PET camera. We have developed a simple statistics-based online baseline restorer (SOBLR) for a high count-rate fully digital system. In this method, we acquire additional samples, excluding the real gamma pulses, from the existing free-running ADC in the digital system, and perform online statistical processing to generate a baseline value. This baseline value will be subtracted from the digitized waveform to retrieve its original pulse with zero-baseline drift. This method can self-track the baseline without a micro-controller involved. The circuit consists of two digital counter/timers, one comparator, one register and one subtraction unit. Simulation shows a single channel works at 30 Mcps count-rate with pileup condition. 336 baseline restorer circuits have been implemented into 12 field-programmable-gate-arrays (FPGA) for our new fully digital PET system.

Detection of one-dimensional migration of single self-interstitial atoms in tungsten using high-voltage electron microscopy

PubMed Central

Amino, T.; Arakawa, K.; Mori, H.

2016-01-01

The dynamic behaviour of atomic-size disarrangements of atoms—point defects (self-interstitial atoms (SIAs) and vacancies)—often governs the macroscopic properties of crystalline materials. However, the dynamics of SIAs have not been fully uncovered because of their rapid migration. Using a combination of high-voltage transmission electron microscopy and exhaustive kinetic Monte Carlo simulations, we determine the dynamics of the rapidly migrating SIAs from the formation process of the nanoscale SIA clusters in tungsten as a typical body-centred cubic (BCC) structure metal under the constant-rate production of both types of point defects with high-energy electron irradiation, which must reflect the dynamics of individual SIAs. We reveal that the migration dimension of SIAs is not three-dimensional (3D) but one-dimensional (1D). This result overturns the long-standing and well-accepted view of SIAs in BCC metals and supports recent results obtained by ab-initio simulations. The SIA dynamics clarified here will be one of the key factors to accurately predict the lifetimes of nuclear fission and fusion materials. PMID:27185352

Pulse-like partial ruptures and high-frequency radiation at creeping-locked transition during megathrust earthquakes

NASA Astrophysics Data System (ADS)

Michel, Sylvain; Avouac, Jean-Philippe; Lapusta, Nadia; Jiang, Junle

2017-08-01

Megathrust earthquakes tend to be confined to fault areas locked in the interseismic period and often rupture them only partially. For example, during the 2015 M7.8 Gorkha earthquake, Nepal, a slip pulse propagating along strike unzipped the bottom edge of the locked portion of the Main Himalayan Thrust (MHT). The lower edge of the rupture produced dominant high-frequency (>1 Hz) radiation of seismic waves. We show that similar partial ruptures occur spontaneously in a simple dynamic model of earthquake sequences. The fault is governed by standard laboratory-based rate-and-state friction with the aging law and contains one homogenous velocity-weakening (VW) region embedded in a velocity-strengthening (VS) area. Our simulations incorporate inertial wave-mediated effects during seismic ruptures (they are thus fully dynamic) and account for all phases of the seismic cycle in a self-consistent way. Earthquakes nucleate at the edge of the VW area and partial ruptures tend to stay confined within this zone of higher prestress, producing pulse-like ruptures that propagate along strike. The amplitude of the high-frequency sources is enhanced in the zone of higher, heterogeneous stress at the edge of the VW area.

Pulse-Like Partial Ruptures and High-Frequency Radiation at Creeping-Locked Transition during Megathrust Earthquakes

NASA Astrophysics Data System (ADS)

Michel, S. G. R. M.; Avouac, J. P.; Lapusta, N.; Jiang, J.

2017-12-01

Megathrust earthquakes tend to be confined to fault areas locked in the interseismic period and often rupture them only partially. For example, during the 2015 M7.8 Gorkha earthquake, Nepal, a slip pulse propagating along strike unzipped the bottom edge of the locked portion of the Main Himalayan Thrust (MHT). The lower edge of the rupture produced dominant high-frequency (>1 Hz) radiation of seismic waves. We show that similar partial ruptures occur spontaneously in a simple dynamic model of earthquake sequences. The fault is governed by standard laboratory-based rate-and-state friction with the ageing law and contains one homogenous velocity-weakening (VW) region embedded in a velocity-strengthening (VS) area. Our simulations incorporate inertial wave-mediated effects during seismic ruptures (they are thus fully dynamic) and account for all phases of the seismic cycle in a self-consistent way. Earthquakes nucleate at the edge of the VW area and partial ruptures tend to stay confined within this zone of higher prestress, producing pulse-like ruptures that propagate along strike. The amplitude of the high-frequency sources is enhanced in the zone of higher, heterogeneous stress at the edge of the VW area.

Correlate of self-care and self-neglect among community-dwelling older adults.

PubMed

Mardan, Homa; Hamid, TengkuAizan; Redzuan, Ma'rof; Ibrahim, Rahimah

2014-02-01

The prevalence of self-neglect among the elderly is expected to rise with a rapid increase in the growth of the older population. However, self-neglect in the elderly and the factors related to it are not fully understood due to the limited research in the area, lack of consensus in the definition of the concept, and limited instrumentation. The purpose of this study was to investigate the relationship between selected socio-demographic factors on self-care and self-neglect among older persons living in the community. A cross-sectional survey design with cluster sampling was adopted for the study. Data were gathered from 201 older persons aged 60 years and over in the state of Selangor, Malaysia, through face-to-face interviews in their homes with a team of trained enumerators. A new instrument was developed to measure self-neglect. The internal consistency of the new instrument showed a reliability of 0.90. A significant bivariate relationship was noted between self-care and self-neglect. The socio-demographic factors were also reported between self-care and self-neglect. The new instrument of elder self-neglect (ESN) could be used to measure self-neglect in a community dwelling. The need to increase the self-care skills and the capacity of self-care among older adults is crucial in order to reduce self-neglect and enhance their well-being.

An examination of the validity of the Academic Motivation Scale with a United States business student sample.

PubMed

Smith, Kenneth J; Davy, Jeanette A; Rosenberg, Donald L

2010-04-01

This study examined alternative seven-, five-, and three-factor structures for the Academic Motivation Scale, with data from a large convenience sample of 2,078 students matriculating in various business courses at three AACSB-accredited regional comprehensive universities. In addition, the invariance of the scale's factor structure between male and female students and between undergraduate and Master's of Business Administration students was investigated. Finally, the internal consistency of the items loading on each of the seven AMS subscales was assessed as well as whether the correlations among the subscales supported a continuum of self-determination. Results for the full sample as well as the targeted subpopulations supported the seven factor configuration of the scale with adequate model fit achieved for all but the MBA student group. The data also generated acceptable internal consistency statistics for all of the subscales. However, in line with a number of previous studies, the correlations between subscales failed to fully support the scale's simplex structure as proposed by self-determination theory.

An implicit non-self-report measure of attitudes to speeding: development and validation.

PubMed

Hatfield, Julie; Fernandes, Ralston; Faunce, Gavin; Job, R F Soames

2008-03-01

Speeding is a major contributor to road trauma and attitudes toward speeding are hypothesised to be a key determinant of the behaviour. Attitudinal research is limited by reliance on self-report measures and the attendant possibility of reporting biases. The Implicit Association Test (IAT) aims to measure attitudes without reliance on self-report, by assessing the association between a target-concept and an evaluation, in terms of reaction time for compatible versus non-compatible pairings. The present research aimed to develop and evaluate an IAT to measure attitudes to speeding. Forty-five licensed drivers completed the speed-related IAT, and drove a driving simulator. Participants also completed a questionnaire that assessed self-reported attitudes to speeding, and several variables theoretically related to attitudes, including speeding behaviour. Observed IAT results suggested that attitudes toward speeding are negative, and were generally consistent with results derived from the simulated driving and self-reported behaviours, beliefs, and attitudes. Thus, the speed-related IAT appears to be a valid measure of attitudes toward speeding, which might be used to measure attitudes in road safety research without reliance on self-report.

Microfluidic sorting and multimodal typing of cancer cells in self-assembled magnetic arrays.

PubMed

Saliba, Antoine-Emmanuel; Saias, Laure; Psychari, Eleni; Minc, Nicolas; Simon, Damien; Bidard, François-Clément; Mathiot, Claire; Pierga, Jean-Yves; Fraisier, Vincent; Salamero, Jean; Saada, Véronique; Farace, Françoise; Vielh, Philippe; Malaquin, Laurent; Viovy, Jean-Louis

2010-08-17

We propose a unique method for cell sorting, "Ephesia," using columns of biofunctionalized superparamagnetic beads self-assembled in a microfluidic channel onto an array of magnetic traps prepared by microcontact printing. It combines the advantages of microfluidic cell sorting, notably the application of a well controlled, flow-activated interaction between cells and beads, and those of immunomagnetic sorting, notably the use of batch-prepared, well characterized antibody-bearing beads. On cell lines mixtures, we demonstrated a capture yield better than 94%, and the possibility to cultivate in situ the captured cells. A second series of experiments involved clinical samples--blood, pleural effusion, and fine needle aspirates--issued from healthy donors and patients with B-cell hematological malignant tumors (leukemia and lymphoma). The immunophenotype and morphology of B-lymphocytes were analyzed directly in the microfluidic chamber, and compared with conventional flow cytometry and visual cytology data, in a blind test. Immunophenotyping results using Ephesia were fully consistent with those obtained by flow cytometry. We obtained in situ high resolution confocal three-dimensional images of the cell nuclei, showing intranuclear details consistent with conventional cytological staining. Ephesia thus provides a powerful approach to cell capture and typing allowing fully automated high resolution and quantitative immunophenotyping and morphological analysis. It requires at least 10 times smaller sample volume and cell numbers than cytometry, potentially increasing the range of indications and the success rate of microbiopsy-based diagnosis, and reducing analysis time and cost.

Convergence of quasiparticle self-consistent G W calculations of transition-metal monoxides

NASA Astrophysics Data System (ADS)

Das, Suvadip; Coulter, John E.; Manousakis, Efstratios

2015-03-01

Finding an accurate ab initio approach for calculating the electronic properties of transition-metal oxides has been a problem for several decades. In this paper, we investigate the electronic structure of the transition-metal monoxides MnO, CoO, and NiO in their undistorted rocksalt structure within a fully iterated quasiparticle self-consistent G W (QPsc G W ) scheme. We study the convergence of the QPsc G W method, i.e., how the quasiparticle energy eigenvalues and wave functions converge as a function of the QPsc G W iterations, and we compare the converged outputs obtained from different starting wave functions. We find that the convergence is slow and that a one-shot G0W0 calculation does not significantly improve the initial eigenvalues and states. It is important to notice that in some cases the "path" to convergence may go through energy band reordering which cannot be captured by the simple initial unperturbed Hamiltonian. When we reach a fully iterated solution, the converged density of states, band gaps, and magnetic moments of these oxides are found to be only weakly dependent on the choice of the starting wave functions and in reasonably good agreement with the experiment. Finally, this approach provides a clear picture of the interplay between the various orbitals near the Fermi level of these simple transition-metal monoxides. The results of these accurate ab initio calculations can provide input for models aiming at describing the low-energy physics in these materials.

Microfluidic sorting and multimodal typing of cancer cells in self-assembled magnetic arrays

PubMed Central

Saliba, Antoine-Emmanuel; Saias, Laure; Psychari, Eleni; Minc, Nicolas; Simon, Damien; Bidard, François-Clément; Mathiot, Claire; Pierga, Jean-Yves; Fraisier, Vincent; Salamero, Jean; Saada, Véronique; Farace, Françoise; Vielh, Philippe; Malaquin, Laurent; Viovy, Jean-Louis

2010-01-01

We propose a unique method for cell sorting, “Ephesia,” using columns of biofunctionalized superparamagnetic beads self-assembled in a microfluidic channel onto an array of magnetic traps prepared by microcontact printing. It combines the advantages of microfluidic cell sorting, notably the application of a well controlled, flow-activated interaction between cells and beads, and those of immunomagnetic sorting, notably the use of batch-prepared, well characterized antibody-bearing beads. On cell lines mixtures, we demonstrated a capture yield better than 94%, and the possibility to cultivate in situ the captured cells. A second series of experiments involved clinical samples—blood, pleural effusion, and fine needle aspirates— issued from healthy donors and patients with B-cell hematological malignant tumors (leukemia and lymphoma). The immunophenotype and morphology of B-lymphocytes were analyzed directly in the microfluidic chamber, and compared with conventional flow cytometry and visual cytology data, in a blind test. Immunophenotyping results using Ephesia were fully consistent with those obtained by flow cytometry. We obtained in situ high resolution confocal three-dimensional images of the cell nuclei, showing intranuclear details consistent with conventional cytological staining. Ephesia thus provides a powerful approach to cell capture and typing allowing fully automated high resolution and quantitative immunophenotyping and morphological analysis. It requires at least 10 times smaller sample volume and cell numbers than cytometry, potentially increasing the range of indications and the success rate of microbiopsy-based diagnosis, and reducing analysis time and cost. PMID:20679245

System Modeling of a MEMS Vibratory Gyroscope and Integration to Circuit Simulation.

PubMed

Kwon, Hyukjin J; Seok, Seyeong; Lim, Geunbae

2017-11-18

Recently, consumer applications have dramatically created the demand for low-cost and compact gyroscopes. Therefore, on the basis of microelectromechanical systems (MEMS) technology, many gyroscopes have been developed and successfully commercialized. A MEMS gyroscope consists of a MEMS device and an electrical circuit for self-oscillation and angular-rate detection. Since the MEMS device and circuit are interactively related, the entire system should be analyzed together to design or test the gyroscope. In this study, a MEMS vibratory gyroscope is analyzed based on the system dynamic modeling; thus, it can be mathematically expressed and integrated into a circuit simulator. A behavioral simulation of the entire system was conducted to prove the self-oscillation and angular-rate detection and to determine the circuit parameters to be optimized. From the simulation, the operating characteristic according to the vacuum pressure and scale factor was obtained, which indicated similar trends compared with those of the experimental results. The simulation method presented in this paper can be generalized to a wide range of MEMS devices.

Evaluation of the force generated by gradual deflection of orthodontic wires in conventional metallic, esthetic, and self-ligating brackets.

PubMed

Francisconi, Manoela Fávaro; Janson, Guilherme; Henriques, José Fernando Castanha; Freitas, Karina Maria Salvatore de

2016-01-01

The purpose of this study was to evaluate the deflection forces of Nitinol orthodontic wires placed in different types of brackets: metallic, reinforced polycarbonate with metallic slots, sapphire, passive and active self-ligating, by assessing strength values variation according to gradual increase in wire diameter and deflection and comparing different combinations in the different deflections. Specimens were set in a clinical simulation model and evaluated in a Universal Testing Machine (INSTRON 3342), using the ISO 15841 protocol. Data were subjected to One-way ANOVA, followed by Tukey tests (p<0.05). Self-ligating brackets presented the most similar behavior to each other. For conventional brackets there was no consistent behavior for any of the deflections studied. Self-ligating brackets presented the most consistent and predictable results while conventional brackets, as esthetic brackets, showed very different patterns of forces. Self-ligating brackets showed higher strength in all deflections when compared with the others, in 0.020-inch wires.

Thermodynamic calculations of oxygen self-diffusion in mixed-oxide nuclear fuels

DOE PAGES

Parfitt, David C.; Cooper, Michael William; Rushton, Michael J.D.; ...

2016-07-29

Mixed-oxide fuels containing uranium with thorium and/or plutonium may play an important part in future nuclear fuel cycles. There are, however, significantly less data available for these materials than conventional uranium dioxide fuel. In the present study, we employ molecular dynamics calculations to simulate the elastic properties and thermal expansivity of a range of mixed oxide compositions. These are then used to support equations of state and oxygen self-diffusion models to provide a self-consistent prediction of the behaviour of these mixed oxide fuels at arbitrary compositions.

Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters

NASA Astrophysics Data System (ADS)

Wu, Xufen; Wang, Yougang; Feix, Martin; Zhao, HongSheng

2017-08-01

Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N-body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbits with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.

Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters

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

Wu, Xufen; Wang, Yougang; Feix, Martin

2017-08-01

Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N -body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbitsmore » with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.« less

"The part of me that you bring out": ideal similarity and the Michelangelo phenomenon.

PubMed

Rusbult, Caryl E; Kumashiro, Madoka; Kubacka, Kaska E; Finkel, Eli J

2009-01-01

This work examines the Michelangelo phenomenon, an interpersonal model of the means by which people move closer to (vs. further from) their ideal selves. The authors propose that partner similarity--similarity to the ideal self, in particular--plays an important role in this process. Across 4 studies employing diverse designs and measurement techniques, they observed consistent evidence that when partners possess key elements of one another's ideal selves, each person affirms the other by eliciting important aspects of the other's ideals, each person moves closer to his or her ideal self, and couple well-being is enhanced. Partner similarity to the actual self also accounts for unique variance in key elements of this model. The associations of ideal similarity and actual similarity with couple well-being are fully attributable to the Michelangelo process, to partner affirmation and target movement toward the ideal self. The authors also performed auxiliary analyses to rule out several alternative interpretations of these findings.

Calculation of the small scale self-focusing ripple gain spectrum for the CYCLOPS laser system: a status report

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

Fleck, J.A. Jr.; Morris, J.R.; Thompson, P.F.

1976-10-01

The FLAC code (Fourier Laser Amplifier Code) was used to simulate the CYCLOPS laser system up to the third B-module and to calculate the maximum ripple gain spectrum. The model of this portion of CYCLOPS consists of 33 segments that correspond to 20 optical elements (simulation of the cell requires 2 segments and 12 external air spaces). (MHR)

Self-Consistent Thermal Accretion Disk Corona Models for Compact Objects. I: Properties of the Corona and the Spectrum of Escaping Radiation

NASA Technical Reports Server (NTRS)

Dove, James B.; Wilms, Jorn; Begelman, Mitchell C.

1997-01-01

We present the properties of accretion disk corona (ADC) models in which the radiation field, the temperature, and the total opacity of the corona are determined self-consistently. We use a nonlinear Monte Carlo code to perform the calculations. As an example, we discuss models in which the corona is situated above and below a cold accretion disk with a plane-parallel (slab) geometry, similar to the model of Haardt & Maraschi. By Comptonizing the soft radiation emitted by the accretion disk, the corona is responsible for producing the high-energy component of the escaping radiation. Our models include the reprocessing of radiation in the accretion disk. Here the photons either are Compton-reflected or photoabsorbed, giving rise to fluorescent line emission and thermal emission. The self- consistent coronal temperature is determined by balancing heating (due to viscous energy dissipation) with Compton cooling, determined using the fully relativistic, angle-dependent cross sections. The total opacity is found by balancing pair productions with annihilations. We find that, for a disk temperature kT(sub BB) approx. less than 200 eV, these coronae are unable to have a self-consistent temperature higher than approx. 140 keV if the total optical depth is approx. less than 0.2, regardless of the compactness parameter of the corona and the seed opacity. This limitation corresponds to the angle-averaged spectrum of escaping radiation having a photon index approx. greater than 1.8 within the 5-30 keV band. Finally, all models that have reprocessing features also predict a large thermal excess at lower energies. These constraints make explaining the X-ray spectra of persistent black hole candidates with ADC models very problematic.

Modeling Supermassive Black Holes in Cosmological Simulations

NASA Astrophysics Data System (ADS)

Tremmel, Michael

My thesis work has focused on improving the implementation of supermassive black hole (SMBH) physics in cosmological hydrodynamic simulations. SMBHs are ubiquitous in mas- sive galaxies, as well as bulge-less galaxies and dwarfs, and are thought to be a critical component to massive galaxy evolution. Still, much is unknown about how SMBHs form, grow, and affect their host galaxies. Cosmological simulations are an invaluable tool for un- derstanding the formation of galaxies, self-consistently tracking their evolution with realistic merger and gas accretion histories. SMBHs are often modeled in these simulations (generally as a necessity to produce realistic massive galaxies), but their implementations are commonly simplified in ways that can limit what can be learned. Current and future observations are opening new windows into the lifecycle of SMBHs and their host galaxies, but require more detailed, physically motivated simulations. Within the novel framework I have developed, SMBHs 1) are seeded at early times without a priori assumptions of galaxy occupation, 2) grow in a way that accounts for the angular momentum of gas, and 3) experience realistic orbital evolution. I show how this model, properly tuned with a novel parameter optimiza- tion technique, results in realistic galaxies and SMBHs. Utilizing the unique ability of these simulations to capture the dynamical evolution of SMBHs, I present the first self-consistent prediction for the formation timescales of close SMBH pairs, precursors to SMBH binaries and merger events potentially detected by future gravitational wave experiments.

The Red Queen model of recombination hot-spot evolution: a theoretical investigation.

PubMed

Latrille, Thibault; Duret, Laurent; Lartillot, Nicolas

2017-12-19

In humans and many other species, recombination events cluster in narrow and short-lived hot spots distributed across the genome, whose location is determined by the Zn-finger protein PRDM9. To explain these fast evolutionary dynamics, an intra-genomic Red Queen model has been proposed, based on the interplay between two antagonistic forces: biased gene conversion, mediated by double-strand breaks, resulting in hot-spot extinction, followed by positive selection favouring new PRDM9 alleles recognizing new sequence motifs. Thus far, however, this Red Queen model has not been formalized as a quantitative population-genetic model, fully accounting for the intricate interplay between biased gene conversion, mutation, selection, demography and genetic diversity at the PRDM9 locus. Here, we explore the population genetics of the Red Queen model of recombination. A Wright-Fisher simulator was implemented, allowing exploration of the behaviour of the model (mean equilibrium recombination rate, diversity at the PRDM9 locus or turnover rate) as a function of the parameters (effective population size, mutation and erosion rates). In a second step, analytical results based on self-consistent mean-field approximations were derived, reproducing the scaling relations observed in the simulations. Empirical fit of the model to current data from the mouse suggests both a high mutation rate at PRDM9 and strong biased gene conversion on its targets.This article is part of the themed issue 'Evolutionary causes and consequences of recombination rate variation in sexual organisms'. © 2017 The Authors.

The Red Queen model of recombination hot-spot evolution: a theoretical investigation

PubMed Central

Latrille, Thibault; Duret, Laurent

2017-01-01

In humans and many other species, recombination events cluster in narrow and short-lived hot spots distributed across the genome, whose location is determined by the Zn-finger protein PRDM9. To explain these fast evolutionary dynamics, an intra-genomic Red Queen model has been proposed, based on the interplay between two antagonistic forces: biased gene conversion, mediated by double-strand breaks, resulting in hot-spot extinction, followed by positive selection favouring new PRDM9 alleles recognizing new sequence motifs. Thus far, however, this Red Queen model has not been formalized as a quantitative population-genetic model, fully accounting for the intricate interplay between biased gene conversion, mutation, selection, demography and genetic diversity at the PRDM9 locus. Here, we explore the population genetics of the Red Queen model of recombination. A Wright–Fisher simulator was implemented, allowing exploration of the behaviour of the model (mean equilibrium recombination rate, diversity at the PRDM9 locus or turnover rate) as a function of the parameters (effective population size, mutation and erosion rates). In a second step, analytical results based on self-consistent mean-field approximations were derived, reproducing the scaling relations observed in the simulations. Empirical fit of the model to current data from the mouse suggests both a high mutation rate at PRDM9 and strong biased gene conversion on its targets. This article is part of the themed issue ‘Evolutionary causes and consequences of recombination rate variation in sexual organisms’. PMID:29109226

Body mass index and victimization during adolescence: the mediation role of depressive symptoms and self-esteem.

PubMed

Giletta, Matteo; Scholte, Ron H J; Engels, Rutger C M E; Larsen, Junilla K

2010-12-01

This study applied a multi-method approach to examine the relationship between body mass index (BMI) and the experience of victimization during adolescence by investigating the role of intrapersonal feelings. The sample consisted of 2051 adolescents (M=13.8 years, S.D.=0.7; 51% male) from seven high schools in the Netherlands. Participants' weight and height were measured and they completed self-report questionnaires on victimization, depressive symptoms and self-esteem. Self-reported and peer-reported measures of victimization were collected and combined to create three different victimization types (i.e., self/peer-identified, self-identified, and peer-identified). Hierarchical logistic regression analyses revealed that higher BMI was associated with both self/peer-identified victimization and self-identified victimization. Intrapersonal feelings (i.e., depressive symptoms and self-esteem) were found to mediate these associations. However, BMI was not associated with peer-identified victimization. These findings suggest that the association between BMI and victimization might be exclusively related to the self-perception of high BMI adolescents. Moreover, the mediation effects indicate that the perception of victimization might be linked to psychological difficulties of adolescents with high BMI. Thus, to fully understand the associations between weight status and victimization, intrapersonal mechanisms need to be examined. Copyright © 2010 Elsevier Inc. All rights reserved.

Hybrid simulation: bringing motivation to the art of teamwork training in the operating room.

PubMed

Kjellin, A; Hedman, L; Escher, C; Felländer-Tsai, L

2014-12-01

Crew resource management-based operating room team training will be an evident part of future surgical training. Hybrid simulation in the operating room enables the opportunity for trainees to perform higher fidelity training of technical and non-technical skills in a realistic context. We focus on situational motivation and self-efficacy, two important factors for optimal learning in light of a prototype course for teams of residents in surgery and anesthesiology and nurses. Authentic operating room teams consisting of residents in anesthesia (n = 2), anesthesia nurses (n = 3), residents in surgery (n = 2), and scrub nurses (n = 6) were, during a one-day course, exposed to four different scenarios. Their situational motivation was self-assessed (ranging from 1 = does not correspond at all to 7 = corresponds exactly) immediately after training, and their self-efficacy (graded from 1 to 7) before and after training. Training was performed in a mock-up operating theater equipped with a hybrid patient simulator (SimMan 3G; Laerdal) and a laparoscopic simulator (Lap Mentor Express; Simbionix). The functionality of the systematic hybrid procedure simulation scenario was evaluated by an exit questionnaire (graded from 1 = disagree entirely to 5 = agree completely). The trainees were mostly intrinsically motivated, engaged for their own sake, and had a rather great degree of self-determination toward the training situation. Self-efficacy among the team members improved significantly from 4 to 6 (median). Overall evaluation showed very good result with a median grading of 5. We conclude that hybrid simulation is feasible and has the possibility to train an authentic operating team in order to improve individual motivation and confidence. © The Finnish Surgical Society 2014.

Feasibility of Real-Time Selection of Frequency Tables in an Acoustic Simulation of a Cochlear Implant

PubMed Central

Fitzgerald, Matthew; Sagi, Elad; Morbiwala, Tasnim A.; Tan, Chin-Tuan; Svirsky, Mario A.

2013-01-01

Objectives Perception of spectrally degraded speech is particularly difficult when the signal is also distorted along the frequency axis. This might be particularly important for post-lingually deafened recipients of cochlear implants (CI), who must adapt to a signal where there may be a mismatch between the frequencies of an input signal and the characteristic frequencies of the neurons stimulated by the CI. However, there is a lack of tools that can be used to identify whether an individual has adapted fully to a mismatch in the frequency-to-place relationship and if so, to find a frequency table that ameliorates any negative effects of an unadapted mismatch. The goal of the proposed investigation is to test the feasibility of whether real-time selection of frequency tables can be used to identify cases in which listeners have not fully adapted to a frequency mismatch. The assumption underlying this approach is that listeners who have not adapted to a frequency mismatch will select a frequency table that minimizes any such mismatches, even at the expense of reducing the information provided by this frequency table. Design 34 normal-hearing adults listened to a noise-vocoded acoustic simulation of a cochlear implant and adjusted the frequency table in real time until they obtained a frequency table that sounded “most intelligible” to them. The use of an acoustic simulation was essential to this study because it allowed us to explicitly control the degree of frequency mismatch present in the simulation. None of the listeners had any previous experience with vocoded speech, in order to test the hypothesis that the real-time selection procedure could be used to identify cases in which a listener has not adapted to a frequency mismatch. After obtaining a self-selected table, we measured CNC word-recognition scores with that self-selected table and two other frequency tables: a “frequency-matched” table that matched the analysis filters with the noisebands of the noise-vocoder simulation, and a “right information” table that is similar to that used in most cochlear implant speech processors, but in this simulation results in a frequency shift equivalent to 6.5 mm of cochlear space. Results Listeners tended to select a table that was very close to, but shifted slightly lower in frequency from the frequency-matched table. The real-time selection process took on average 2–3 minutes for each trial, and the between-trial variability was comparable to that previously observed with closely-related procedures. The word-recognition scores with the self-selected table were clearly higher than with the right-information table and slightly higher than with the frequency-matched table. Conclusions Real-time self-selection of frequency tables may be a viable tool for identifying listeners who have not adapted to a mismatch in the frequency-to-place relationship, and to find a frequency table that is more appropriate for them. Moreover, the small but significant improvements in word-recognition ability observed with the self-selected table suggest that these listeners based their selections on intelligibility rather than some other factor. The within-subject variability in the real-time selection procedure was comparable to that of a genetic algorithm, and the speed of the real-time procedure appeared to be faster than either a genetic algorithm or a simplex procedure. PMID:23807089

Interpersonal discrimination and markers of adiposity in longitudinal studies: a systematic review.

PubMed

Bernardo, C de O; Bastos, J L; González-Chica, D A; Peres, M A; Paradies, Y C

2017-09-01

While the impact of interpersonal discrimination on mental health is well established, its effects on physical health outcomes have not been fully elucidated. This study systematically reviewed the literature on the prospective association between interpersonal discrimination and markers of adiposity. Medline, Web of Science, Scopus, PsycInfo, SciELO, LILACS, Google Scholar, Capes/Brazil and ProQuest databases were used to retrieve relevant information in November 2016. The results from the 10 studies that met the inclusion criteria support an association between interpersonal self-reported discrimination and the outcomes. In general, the most consistent findings were for weight and body mass index (BMI) among women, i.e. high levels of self-reported discrimination were related to increased weight and BMI. Waist circumference (WC) showed a similar pattern of association with discrimination, in a positive direction, but an inverted U-shaped association was also found. Despite a few inverse associations between discrimination and markers of adiposity, none of the associations were statistically significant. Overall, markers of adiposity were consistently associated with discrimination, mainly through direct and nonlinear associations. This review provides evidence that self-reported discrimination can play an important role in weight, BMI and WC changes. © 2017 World Obesity Federation.

Religious stigmata as malingering artifact

PubMed Central

Bonamonte, Domenico; Vestita, Michelangelo; Filoni, Angela; Giudice, Giuseppe; Angelini, Gianni

2016-01-01

Abstract Rationale: Artifacts or simulated diseases are self-inflicted conditions caused by various means and for different purposes. Disease simulation can be motivated, among other things, by illegal purposes, to escape from civil duties or prison sentences, for example, or to exploit specific situations in order to receive a range of benefits. In such cases, the simulator is fully aware of his or her actions and intentions. Diagnoses, Interventions and Outcomes: We report the case of a 42-year-old woman who, for 3 consecutive years, showed religious stigmata on the forehead and on the dorsal surface of hands and feet immediately before Easter. Lesions showed an acute onset, manifested as erosions and ulcerations, and healed a few days after Easter. Stigmata were immediately made public and every year faithful and curious people went in procession to the house of the patient, offering different kinds of gifts. After intervention of the police authority in the early days of the third episode, the patient and her family repented of their actions. Cutaneous lesions healed in few days and similar events did not occur during the following 2 years. Lessons: Regardless of personal beliefs, the possibility that stigmata could be self-inflicted for illegal or profit purposes should always be considered. PMID:27930512

Computer-assisted learning and simulation systems in dentistry--a challenge to society.

PubMed

Welk, A; Splieth, Ch; Wierinck, E; Gilpatrick, R O; Meyer, G

2006-07-01

Computer technology is increasingly used in practical training at universities. However, in spite of their potential, computer-assisted learning (CAL) and computer-assisted simulation (CAS) systems still appear to be underutilized in dental education. Advantages, challenges, problems, and solutions of computer-assisted learning and simulation in dentistry are discussed by means of MEDLINE, open Internet platform searches, and key results of a study among German dental schools. The advantages of computer-assisted learning are seen for example in self-paced and self-directed learning and increased motivation. It is useful for both objective theoretical and practical tests and for training students to handle complex cases. CAL can lead to more structured learning and can support training in evidence-based decision-making. The reasons for the still relatively rare implementation of CAL/CAS systems in dental education include an inability to finance, lack of studies of CAL/CAS, and too much effort required to integrate CAL/CAS systems into the curriculum. To overcome the reasons for the relative low degree of computer technology use, we should strive for multicenter research and development projects monitored by the appropriate national and international scientific societies, so that the potential of computer technology can be fully realized in graduate, postgraduate, and continuing dental education.

A critical analysis of high-redshift, massive, galaxy clusters. Part I

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

Hoyle, Ben; Jimenez, Raul; Verde, Licia

2012-02-01

We critically investigate current statistical tests applied to high redshift clusters of galaxies in order to test the standard cosmological model and describe their range of validity. We carefully compare a sample of high-redshift, massive, galaxy clusters with realistic Poisson sample simulations of the theoretical mass function, which include the effect of Eddington bias. We compare the observations and simulations using the following statistical tests: the distributions of ensemble and individual existence probabilities (in the > M, > z sense), the redshift distributions, and the 2d Kolmogorov-Smirnov test. Using seemingly rare clusters from Hoyle et al. (2011), and Jee etmore » al. (2011) and assuming the same survey geometry as in Jee et al. (2011, which is less conservative than Hoyle et al. 2011), we find that the ( > M, > z) existence probabilities of all clusters are fully consistent with ΛCDM. However assuming the same survey geometry, we use the 2d K-S test probability to show that the observed clusters are not consistent with being the least probable clusters from simulations at > 95% confidence, and are also not consistent with being a random selection of clusters, which may be caused by the non-trivial selection function and survey geometry. Tension can be removed if we examine only a X-ray selected sub sample, with simulations performed assuming a modified survey geometry.« less

Modeling techniques for quantum cascade lasers

NASA Astrophysics Data System (ADS)

Jirauschek, Christian; Kubis, Tillmann

2014-03-01

Quantum cascade lasers are unipolar semiconductor lasers covering a wide range of the infrared and terahertz spectrum. Lasing action is achieved by using optical intersubband transitions between quantized states in specifically designed multiple-quantum-well heterostructures. A systematic improvement of quantum cascade lasers with respect to operating temperature, efficiency, and spectral range requires detailed modeling of the underlying physical processes in these structures. Moreover, the quantum cascade laser constitutes a versatile model device for the development and improvement of simulation techniques in nano- and optoelectronics. This review provides a comprehensive survey and discussion of the modeling techniques used for the simulation of quantum cascade lasers. The main focus is on the modeling of carrier transport in the nanostructured gain medium, while the simulation of the optical cavity is covered at a more basic level. Specifically, the transfer matrix and finite difference methods for solving the one-dimensional Schrödinger equation and Schrödinger-Poisson system are discussed, providing the quantized states in the multiple-quantum-well active region. The modeling of the optical cavity is covered with a focus on basic waveguide resonator structures. Furthermore, various carrier transport simulation methods are discussed, ranging from basic empirical approaches to advanced self-consistent techniques. The methods include empirical rate equation and related Maxwell-Bloch equation approaches, self-consistent rate equation and ensemble Monte Carlo methods, as well as quantum transport approaches, in particular the density matrix and non-equilibrium Green's function formalism. The derived scattering rates and self-energies are generally valid for n-type devices based on one-dimensional quantum confinement, such as quantum well structures.

Modeling techniques for quantum cascade lasers

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

Jirauschek, Christian; Kubis, Tillmann

2014-03-15

Quantum cascade lasers are unipolar semiconductor lasers covering a wide range of the infrared and terahertz spectrum. Lasing action is achieved by using optical intersubband transitions between quantized states in specifically designed multiple-quantum-well heterostructures. A systematic improvement of quantum cascade lasers with respect to operating temperature, efficiency, and spectral range requires detailed modeling of the underlying physical processes in these structures. Moreover, the quantum cascade laser constitutes a versatile model device for the development and improvement of simulation techniques in nano- and optoelectronics. This review provides a comprehensive survey and discussion of the modeling techniques used for the simulation ofmore » quantum cascade lasers. The main focus is on the modeling of carrier transport in the nanostructured gain medium, while the simulation of the optical cavity is covered at a more basic level. Specifically, the transfer matrix and finite difference methods for solving the one-dimensional Schrödinger equation and Schrödinger-Poisson system are discussed, providing the quantized states in the multiple-quantum-well active region. The modeling of the optical cavity is covered with a focus on basic waveguide resonator structures. Furthermore, various carrier transport simulation methods are discussed, ranging from basic empirical approaches to advanced self-consistent techniques. The methods include empirical rate equation and related Maxwell-Bloch equation approaches, self-consistent rate equation and ensemble Monte Carlo methods, as well as quantum transport approaches, in particular the density matrix and non-equilibrium Green's function formalism. The derived scattering rates and self-energies are generally valid for n-type devices based on one-dimensional quantum confinement, such as quantum well structures.« less

A Wearable Goggle Navigation System for Dual-Mode Optical and Ultrasound Localization of Suspicious Lesions: Validation Studies Using Tissue-Simulating Phantoms and an Ex Vivo Human Breast Tissue Model

PubMed Central

Wang, Dong; Gan, Qi; Ye, Jian; Yue, Jian; Wang, Benzhong; Povoski, Stephen P.; Martin, Edward W.; Hitchcock, Charles L.; Yilmaz, Alper; Tweedle, Michael F.; Shao, Pengfei; Xu, Ronald X.

2016-01-01

Surgical resection remains the primary curative treatment for many early-stage cancers, including breast cancer. The development of intraoperative guidance systems for identifying all sites of disease and improving the likelihood of complete surgical resection is an area of active ongoing research, as this can lead to a decrease in the need of subsequent additional surgical procedures. We develop a wearable goggle navigation system for dual-mode optical and ultrasound imaging of suspicious lesions. The system consists of a light source module, a monochromatic CCD camera, an ultrasound system, a Google Glass, and a host computer. It is tested in tissue-simulating phantoms and an ex vivo human breast tissue model. Our experiments demonstrate that the surgical navigation system provides useful guidance for localization and core needle biopsy of simulated tumor within the tissue-simulating phantom, as well as a core needle biopsy and subsequent excision of Indocyanine Green (ICG)—fluorescing sentinel lymph nodes. Our experiments support the contention that this wearable goggle navigation system can be potentially very useful and fully integrated by the surgeon for optimizing many aspects of oncologic surgery. Further engineering optimization and additional in vivo clinical validation work is necessary before such a surgical navigation system can be fully realized in the everyday clinical setting. PMID:27367051

A Wearable Goggle Navigation System for Dual-Mode Optical and Ultrasound Localization of Suspicious Lesions: Validation Studies Using Tissue-Simulating Phantoms and an Ex Vivo Human Breast Tissue Model.

PubMed

Zhang, Zeshu; Pei, Jing; Wang, Dong; Gan, Qi; Ye, Jian; Yue, Jian; Wang, Benzhong; Povoski, Stephen P; Martin, Edward W; Hitchcock, Charles L; Yilmaz, Alper; Tweedle, Michael F; Shao, Pengfei; Xu, Ronald X

2016-01-01

Surgical resection remains the primary curative treatment for many early-stage cancers, including breast cancer. The development of intraoperative guidance systems for identifying all sites of disease and improving the likelihood of complete surgical resection is an area of active ongoing research, as this can lead to a decrease in the need of subsequent additional surgical procedures. We develop a wearable goggle navigation system for dual-mode optical and ultrasound imaging of suspicious lesions. The system consists of a light source module, a monochromatic CCD camera, an ultrasound system, a Google Glass, and a host computer. It is tested in tissue-simulating phantoms and an ex vivo human breast tissue model. Our experiments demonstrate that the surgical navigation system provides useful guidance for localization and core needle biopsy of simulated tumor within the tissue-simulating phantom, as well as a core needle biopsy and subsequent excision of Indocyanine Green (ICG)-fluorescing sentinel lymph nodes. Our experiments support the contention that this wearable goggle navigation system can be potentially very useful and fully integrated by the surgeon for optimizing many aspects of oncologic surgery. Further engineering optimization and additional in vivo clinical validation work is necessary before such a surgical navigation system can be fully realized in the everyday clinical setting.

Integrated simulations of saturated neoclassical tearing modes in DIII-D, Joint European Torus, and ITER plasmas

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

Halpern, Federico D.; Bateman, Glenn; Kritz, Arnold H.

2006-06-15

A revised version of the ISLAND module [C. N. Nguyen et al., Phys. Plasmas 11, 3604 (2004)] is used in the BALDUR code [C. E. Singer et al., Comput. Phys. Commun. 49, 275 (1988)] to carry out integrated modeling simulations of DIII-D [J. Luxon, Nucl. Fusion 42, 614 (2002)], Joint European Torus (JET) [P. H. Rebut et al., Nucl. Fusion 25, 1011 (1985)], and ITER [R. Aymar et al., Plasma Phys. Control. Fusion 44, 519 (2002)] tokamak discharges in order to investigate the adverse effects of multiple saturated magnetic islands driven by neoclassical tearing modes (NTMs). Simulations are carried outmore » with a predictive model for the temperature and density pedestal at the edge of the high confinement mode (H-mode) plasma and with core transport described using the Multi-Mode model. The ISLAND module, which is used to compute magnetic island widths, includes the effects of an arbitrary aspect ratio and plasma cross sectional shape, the effect of the neoclassical bootstrap current, and the effect of the distortion in the shape of each magnetic island caused by the radial variation of the perturbed magnetic field. Radial transport is enhanced across the width of each magnetic island within the BALDUR integrated modeling simulations in order to produce a self-consistent local flattening of the plasma profiles. It is found that the main consequence of the NTM magnetic islands is a decrease in the central plasma temperature and total energy. For the DIII-D and JET discharges, it is found that inclusion of the NTMs typically results in a decrease in total energy of the order of 15%. In simulations of ITER, it is found that the saturated magnetic island widths normalized by the plasma minor radius, for the lowest order individual tearing modes, are approximately 24% for the 2/1 mode and 12% for the 3/2 mode. As a result, the ratio of ITER fusion power to heating power (fusion Q) is reduced from Q=10.6 in simulations with no NTM islands to Q=2.6 in simulations with fully saturated NTM islands.« less

Simulation of stationary glow patterns in dielectric barrier discharges at atmospheric pressure

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

Liu, Fucheng, E-mail: hdlfc@hbu.cn; He, Yafeng; Dong, Lifang

2014-12-15

Self-organized stationary patterns in dielectric barrier discharges operating in glow regime at atmospheric pressure are investigated by a self-consistent two-dimensional fluid model. The simulation results show that two different modes, namely, the diffuse mode and the static patterned mode, can be formed in different ranges of the driving frequency. The discharge operates in Townsend regime in the diffuse mode, while it operates in a glow regime inside the filaments and in a Townsend regime outside the filaments in the stable pattered mode. The forming process of the stationary filaments can be divided into three stages, namely, destabilizing stage, self-assembling stage,more » and stable stage. The space charge associated with residual electron density and surface charge is responsible for the formation of these stationary glow patterns.« less

Domain walls of linear polarization in isotropic Kerr media

NASA Astrophysics Data System (ADS)

Louis, Y.; Sheppard, A. P.; Haelterman, M.

1997-09-01

We present a new type of domain-wall vector solitary waves in isotropic self-defocusing Kerr media. These domain walls consist of localized structures separating uniform field domains of orthogonal linear polarizations. They result from the interplay between diffraction, self-phase modulation and cross-phase modulation in cases where the nonlinear birefringence coefficient B = {χxyyx(3)}/{χxxxx(3)} is negative. Numerical simulations show that these new vector solitary waves are stable.

Hydrogeophysical investigations at Hidden Dam, Raymond, California

USGS Publications Warehouse

Minsley, Burke J.; Burton, Bethany L.; Ikard, Scott; Powers, Michael H.

2011-01-01

Self-potential and direct current resistivity surveys are carried out at the Hidden Dam site in Raymond, California to assess present-day seepage patterns and better understand the hydrogeologic mechanisms that likely influence seepage. Numerical modeling is utilized in conjunction with the geophysical measurements to predict variably-saturated flow through typical two-dimensional dam cross-sections as a function of reservoir elevation. Several different flow scenarios are investigated based on the known hydrogeology, as well as information about typical subsurface structures gained from the resistivity survey. The flow models are also used to simulate the bulk electrical resistivity in the subsurface under varying saturation conditions, as well as the self-potential response using petrophysical relationships and electrokinetic coupling equations.The self-potential survey consists of 512 measurements on the downstream area of the dam, and corroborates known seepage areas on the northwest side of the dam. Two direct-current resistivity profiles, each approximately 2,500 ft (762 m) long, indicate a broad sediment channel under the northwest side of the dam, which may be a significant seepage pathway through the foundation. A focusing of seepage in low-topography areas downstream of the dam is confirmed from the numerical flow simulations, which is also consistent with past observations. Little evidence of seepage is identified from the self-potential data on the southeast side of the dam, also consistent with historical records, though one possible area of focused seepage is identified near the outlet works. Integration of the geophysical surveys, numerical modeling, and observation well data provides a framework for better understanding seepage at the site through a combined hydrogeophysical approach.

Preferred orientation of albumin adsorption on a hydrophilic surface from molecular simulation.

PubMed

Hsu, Hao-Jen; Sheu, Sheh-Yi; Tsay, Ruey-Yug

2008-12-01

In general, non-specific protein adsorption follows a two-step procedure, i.e. first adsorption onto a surface in native form, and a subsequent conformational change on the surface. In order to predict the subsequent conformational change, it is important to determine the preferred orientation of an adsorbed protein in the first step of the adsorption. In this work, a method based on finding the global minimum of the interaction potential energy of an adsorbed protein has been developed to delineate the preferred orientations for the adsorption of human serum albumin (HSA) on a model surface with a hydrophilic self-assembled monolayer (SAM). For computational efficiency, solvation effects were greatly simplified by only including the dampening of electrostatic effects while neglecting contributions due to the competition of water molecules for the functional groups on the surface. A contour map obtained by systematic rotation of a molecule in conjunction with perpendicular motion to the surface gives the minimum interaction energy of the adsorbed molecule at various adsorption orientations. Simulation results show that for an -OH terminated SAM surface, a "back-on" orientation of HSA is the preferred orientation. The projection area of this adsorption orientation corresponds with the "triangular-side-on" adsorption of a heart shaped HSA molecule. The method proposed herein is able to provide results which are consistent with those predicted by Monte Carlo (MC) simulations with a substantially less computing cost. The high computing efficiency of the current method makes it possible to be implemented as a design tool for the control of protein adsorption on surfaces; however, before this can be fully realized, these methods must be further developed to enable interaction free energy to be calculated in place of potential energy, along with a more realistic representation of solvation effects.

Comparisons of dense-plasma-focus kinetic simulations with experimental measurements.

PubMed

Schmidt, A; Link, A; Welch, D; Ellsworth, J; Falabella, S; Tang, V

2014-06-01

Dense-plasma-focus (DPF) Z-pinch devices are sources of copious high-energy electrons and ions, x rays, and neutrons. The mechanisms through which these physically simple devices generate such high-energy beams in a relatively short distance are not fully understood and past optimization efforts of these devices have been largely empirical. Previously we reported on fully kinetic simulations of a DPF and compared them with hybrid and fluid simulations of the same device. Here we present detailed comparisons between fully kinetic simulations and experimental data on a 1.2 kJ DPF with two electrode geometries, including neutron yield and ion beam energy distributions. A more intensive third calculation is presented which examines the effects of a fully detailed pulsed power driver model. We also compare simulated electromagnetic fluctuations with direct measurement of radiofrequency electromagnetic fluctuations in a DPF plasma. These comparisons indicate that the fully kinetic model captures the essential physics of these plasmas with high fidelity, and provide further evidence that anomalous resistivity in the plasma arises due to a kinetic instability near the lower hybrid frequency.

Simulation verification techniques study

NASA Technical Reports Server (NTRS)

Schoonmaker, P. B.; Wenglinski, T. H.

1975-01-01

Results are summarized of the simulation verification techniques study which consisted of two tasks: to develop techniques for simulator hardware checkout and to develop techniques for simulation performance verification (validation). The hardware verification task involved definition of simulation hardware (hardware units and integrated simulator configurations), survey of current hardware self-test techniques, and definition of hardware and software techniques for checkout of simulator subsystems. The performance verification task included definition of simulation performance parameters (and critical performance parameters), definition of methods for establishing standards of performance (sources of reference data or validation), and definition of methods for validating performance. Both major tasks included definition of verification software and assessment of verification data base impact. An annotated bibliography of all documents generated during this study is provided.

Self-Repairing Mechanism of MUF/Epoxy Microcapsules for Epoxy Material

NASA Astrophysics Data System (ADS)

Ni, Zhuo; Lin, Yuhao; Zhou, Xiaobo

2017-12-01

In this paper, a post curing reaction for the microcapsule/epoxy composite material and the conditions of thermal treatment for self-healing process were studied by differential scanning calorimetry (DSC). The condition of thermal treatment for post curing (60°C, 2 hours) was employed to fully cure the epoxy composite. Damage mechanism for the epoxy material was demonstrated via data simulation and three-point bending experiment for the stress distribution reveals that micro-cracks are more likely to be generated on the central region in stress concentration area of two constrained boundaries and the numbers of micro-cracks are reduced from the central area to the two ends of the material. Self-repairing performances of MUF microcapsule/epoxy composite materials were characterized using both destructive bending tests and non-destructive DMA measurements. Self-healing efficiencies of the composites embedded 2% and 5% microcapsule content measured by DMA are 101% and 104% respectively which are close to those results of 104% and 113% correspondingly measured by bending tests. Crack formation and development, core material releasing for MUF microcapsules and physiochemical process of the self-repairing were investigated by using OM, fluorescent technique and infrared microscope. These provide detailed evidences and important information on self-healing mechanism of the microcapsule/epoxy self-repairing material.

The Structure of Intrinsically Disordered Peptides Implicated in Amyloid Diseases: Insights from Fully Atomistic Simulations

NASA Astrophysics Data System (ADS)

Wu, Chun; Shea, Joan-Emma

Protein aggregation involves the self-assembly of proteins into large β-sheet-rich complexes. This process can be the result of aberrant protein folding and lead to "amyloidosis," a condition characterized by deposits of protein aggregates known as amyloids on various organs of the body [1]. Amyloid-related diseases include, among others, Alzheimer's disease, Parkinson's disease, Creutzfeldt-Jakob disease, and type II diabetes [2, 3, 4]. In other instances, however, protein aggregation is not a pathological process, but rather a functional one, with aggregates serving as structural scaffolds in a number of organisms [5].

An approach for coupled-code multiphysics core simulations from a common input

DOE PAGES

Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; ...

2014-12-10

This study describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which ismore » built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak Ridge National Laboratory using 1156 cores, and a synopsis of the solution results and code performance is presented. Finally, ongoing development of this approach is also briefly described.« less

C3 System Performance Simulation and User Manual. Getting Started: Guidelines for Users

NASA Technical Reports Server (NTRS)

2006-01-01

This document is a User's Manual describing the C3 Simulation capabilities. The subject work was designed to simulate the communications involved in the flight of a Remotely Operated Aircraft (ROA) using the Opnet software. Opnet provides a comprehensive development environment supporting the modeling of communication networks and distributed systems. It has tools for model design, simulation, data collection, and data analysis. Opnet models are hierarchical -- consisting of a project which contains node models which in turn contain process models. Nodes can be fixed, mobile, or satellite. Links between nodes can be physical or wireless. Communications are packet based. The model is very generic in its current form. Attributes such as frequency and bandwidth can easily be modified to better reflect a specific platform. The model is not fully developed at this stage -- there are still more enhancements to be added. Current issues are documented throughout this guide.

Molecular simulations of micellar aggregation of polysorbate 20 ester fractions and their interaction with N-phenyl-1-naphthylamine dye.

PubMed

Lapelosa, Mauro; Patapoff, Thomas W; Zarraga, Isidro E

2016-06-01

Micellar aggregation behavior of polysorbate 20 (PS20) has generated significant interest because of the wide use of PS20 as a surfactant to minimize protein surface adsorption and mitigate protein aggregation. Thus, there is a need for better molecular understanding of what drives the biophysical behavior of PS20 in solution. We observe that a complex amphipathic PS20 molecule, which contains both hydrophobic tail and relatively large hydrophilic head, self-associates strongly within the course of a molecular dynamics simulation performed with a fully atomistic representation of the molecule and an explicit water solvent model. The in silico behavior is consistent with micellar models of PS20 in solution. The dynamics of this self-association is rather complex involving both internal reorganization of the molecule and diffusion to form stable micelle-like aggregates. The micellar aggregates of PS20 are long-lived and are formed by the balance between the large hydrophobic interactions associated with the aliphatic tail of PS20, and the steric repulsion of the hydrophilic sorbitan head structure. In the present work, molecular models of PS20 that represent naturally occurring PS20 fractions were produced and characterized in silico. The study investigated the monoester and diester fractions: PS20M, and PS20D. These fractions present differences in the strength of their hydrophobic effect, which influences the aggregation behavior. Adaptive biasing force (ABF) simulations were carried out with the PS20M and PS20D molecular constructs to calculate the free energy of their pairwise interaction. The free energy barrier for the dissociation is higher for PS20D compared with PS20M. The results show that hydrogen bonds can form when head groups are in close proximity, such as in the PS20 aggregate assembly, and the free energy of interaction can be used to predict the morphology of the micellar aggregate for the different PS20 fractions. We were also able to simulate PS20 in the presence of N-phenyl-1-naphthylamine (NPN) to study the solution behavior of the hydrophobic molecule and of the mechanism in which it is sequestered in the hydrophobic core of the PS20 micellar aggregate. Copyright © 2016 Elsevier B.V. All rights reserved.

Drag reduction by a linear viscosity profile.

PubMed

De Angelis, Elisabetta; Casciola, Carlo M; L'vov, Victor S; Pomyalov, Anna; Procaccia, Itamar; Tiberkevich, Vasil

2004-11-01

Drag reduction by polymers in turbulent flows raises an apparent contradiction: the stretching of the polymers must increase the viscosity, so why is the drag reduced? A recent theory proposed that drag reduction, in agreement with experiments, is consistent with the effective viscosity growing linearly with the distance from the wall. With this self-consistent solution the reduction in the Reynolds stress overwhelms the increase in viscous drag. In this Rapid Communication we show, using direct numerical simulations, that a linear viscosity profile indeed reduces the drag in agreement with the theory and in close correspondence with direct simulations of the FENE-P model at the same flow conditions.

In-depth analysis and modelling of self-heating effects in nanometric DGMOSFETs

NASA Astrophysics Data System (ADS)

Roldán, J. B.; González, B.; Iñiguez, B.; Roldán, A. M.; Lázaro, A.; Cerdeira, A.

2013-01-01

Self-heating effects (SHEs) in nanometric symmetrical double-gate MOSFETs (DGMOSFETs) have been analysed. An equivalent thermal circuit for the transistors has been developed to characterise thermal effects, where the temperature and thickness dependency of the thermal conductivity of the silicon and oxide layers within the devices has been included. The equivalent thermal circuit is consistent with simulations using a commercial technology computer-aided design (TCAD) tool (Sentaurus by Synopsys). In addition, a model for DGMOSFETs has been developed where SHEs have been considered in detail, taking into account the temperature dependence of the low-field mobility, saturation velocity, and inversion charge. The model correctly reproduces Sentaurus simulation data for the typical bias range used in integrated circuits. Lattice temperatures predicted by simulation are coherently reproduced by the model for varying silicon layer geometry.

A chaos wolf optimization algorithm with self-adaptive variable step-size

NASA Astrophysics Data System (ADS)

Zhu, Yong; Jiang, Wanlu; Kong, Xiangdong; Quan, Lingxiao; Zhang, Yongshun

2017-10-01

To explore the problem of parameter optimization for complex nonlinear function, a chaos wolf optimization algorithm (CWOA) with self-adaptive variable step-size was proposed. The algorithm was based on the swarm intelligence of wolf pack, which fully simulated the predation behavior and prey distribution way of wolves. It possessed three intelligent behaviors such as migration, summons and siege. And the competition rule as "winner-take-all" and the update mechanism as "survival of the fittest" were also the characteristics of the algorithm. Moreover, it combined the strategies of self-adaptive variable step-size search and chaos optimization. The CWOA was utilized in parameter optimization of twelve typical and complex nonlinear functions. And the obtained results were compared with many existing algorithms, including the classical genetic algorithm, the particle swarm optimization algorithm and the leader wolf pack search algorithm. The investigation results indicate that CWOA possess preferable optimization ability. There are advantages in optimization accuracy and convergence rate. Furthermore, it demonstrates high robustness and global searching ability.

COUPLED SPIN AND SHAPE EVOLUTION OF SMALL RUBBLE-PILE ASTEROIDS: SELF-LIMITATION OF THE YORP EFFECT

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

Cotto-Figueroa, Desireé; Statler, Thomas S.; Richardson, Derek C.

2015-04-10

We present the first self-consistent simulations of the coupled spin-shape evolution of small gravitational aggregates under the influence of the YORP effect. Because of YORP’s sensitivity to surface topography, even small centrifugally driven reconfigurations of aggregates can alter the YORP torque dramatically, resulting in spin evolution that can differ qualitatively from the rigid-body prediction. One-third of our simulations follow a simple evolution described as a modified YORP cycle. Two-thirds exhibit one or more of three distinct behaviors—stochastic YORP, self-governed YORP, and stagnating YORP—which together result in YORP self-limitation. Self-limitation confines rotation rates of evolving aggregates to far narrower ranges thanmore » those expected in the classical YORP cycle, greatly prolonging the times over which objects can preserve their sense of rotation. Simulated objects are initially randomly packed, disordered aggregates of identical spheres in rotating equilibrium, with low internal angles of friction. Their shape evolution is characterized by rearrangement of the entire body, including the deep interior. They do not evolve to axisymmetric top shapes with equatorial ridges. Mass loss occurs in one-third of the simulations, typically in small amounts from the ends of a prolate-triaxial body. We conjecture that YORP self-limitation may inhibit formation of top-shapes, binaries, or both, by restricting the amount of angular momentum that can be imparted to a deformable body. Stochastic YORP, in particular, will affect the evolution of collisional families whose orbits drift apart under the influence of Yarkovsky forces, in observable ways.« less

Detection and Attribution of Simulated Climatic Extreme Events and Impacts: High Sensitivity to Bias Correction

NASA Astrophysics Data System (ADS)

Sippel, S.; Otto, F. E. L.; Forkel, M.; Allen, M. R.; Guillod, B. P.; Heimann, M.; Reichstein, M.; Seneviratne, S. I.; Kirsten, T.; Mahecha, M. D.

2015-12-01

Understanding, quantifying and attributing the impacts of climatic extreme events and variability is crucial for societal adaptation in a changing climate. However, climate model simulations generated for this purpose typically exhibit pronounced biases in their output that hinders any straightforward assessment of impacts. To overcome this issue, various bias correction strategies are routinely used to alleviate climate model deficiencies most of which have been criticized for physical inconsistency and the non-preservation of the multivariate correlation structure. We assess how biases and their correction affect the quantification and attribution of simulated extremes and variability in i) climatological variables and ii) impacts on ecosystem functioning as simulated by a terrestrial biosphere model. Our study demonstrates that assessments of simulated climatic extreme events and impacts in the terrestrial biosphere are highly sensitive to bias correction schemes with major implications for the detection and attribution of these events. We introduce a novel ensemble-based resampling scheme based on a large regional climate model ensemble generated by the distributed weather@home setup[1], which fully preserves the physical consistency and multivariate correlation structure of the model output. We use extreme value statistics to show that this procedure considerably improves the representation of climatic extremes and variability. Subsequently, biosphere-atmosphere carbon fluxes are simulated using a terrestrial ecosystem model (LPJ-GSI) to further demonstrate the sensitivity of ecosystem impacts to the methodology of bias correcting climate model output. We find that uncertainties arising from bias correction schemes are comparable in magnitude to model structural and parameter uncertainties. The present study consists of a first attempt to alleviate climate model biases in a physically consistent way and demonstrates that this yields improved simulations of climate extremes and associated impacts. [1] http://www.climateprediction.net/weatherathome/

Self-consistent perturbation theory for two dimensional twisted bilayers

NASA Astrophysics Data System (ADS)

Shirodkar, Sharmila N.; Tritsaris, Georgios A.; Kaxiras, Efthimios

Theoretical modeling and ab-initio simulations of two dimensional heterostructures with arbitrary angles of rotation between layers involve unrealistically large and expensive calculations. To overcome this shortcoming, we develop a methodology for weakly interacting heterostructures that treats the effect of one layer on the other as perturbation, and restricts the calculations to their primitive cells. Thus, avoiding computationally expensive supercells. We start by approximating the interaction potential between the twisted bilayers to that of a hypothetical configuration (viz. ideally stacked untwisted layers), which produces band structures in reasonable agreement with full-scale ab-initio calculations for commensurate and twisted bilayers of graphene (Gr) and Gr/hexagonal boron nitride (h-BN) heterostructures. We then self-consistently calculate the charge density and hence, interaction potential of the heterostructures. In this work, we test our model for bilayers of various combinations of Gr, h-BN and transition metal dichalcogenides, and discuss the advantages and shortcomings of the self-consistently calculated interaction potential. Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA.

A Theory for Self-consistent Acceleration of Energetic Charged Particles by Dynamic Small-scale Flux Ropes

NASA Astrophysics Data System (ADS)

le Roux, J. A.; Zank, G. P.; Khabarova, O.; Webb, G. M.

2016-12-01

Simulations of charged particle acceleration in turbulent plasma regions with numerous small-scale contracting and merging (reconnecting) magnetic islands/flux ropes emphasize the key role of temporary particle trapping in these structures for efficient acceleration that can result in power-law spectra. In response, a comprehensive kinetic transport theory framework was developed by Zank et al. and le Roux et al. to capture the essential physics of energetic particle acceleration in solar wind regions containing numerous dynamic small-scale flux ropes. Examples of test particle solutions exhibiting hard power-law spectra for energetic particles were presented in recent publications by both Zank et al. and le Roux et al.. However, the considerable pressure in the accelerated particles suggests the need for expanding the kinetic transport theory to enable a self-consistent description of energy exchange between energetic particles and small-scale flux ropes. We plan to present the equations of an expanded kinetic transport theory framework that will enable such a self-consistent description.

Some Aspects of Advanced Tokamak Modeling in DIII-D

NASA Astrophysics Data System (ADS)

St John, H. E.; Petty, C. C.; Murakami, M.; Kinsey, J. E.

2000-10-01

We extend previous work(M. Murakami, et al., General Atomics Report GA-A23310 (1999).) done on time dependent DIII-D advanced tokamak simulations by introducing theoretical confinement models rather than relying on power balance derived transport coefficients. We explore using NBCD and off axis ECCD together with a self-consistent aligned bootstrap current, driven by the internal transport barrier dynamics generated with the GLF23 confinement model, to shape the hollow current profile and to maintain MHD stable conditions. Our theoretical modeling approach uses measured DIII-D initial conditions to start off the simulations in a smooth consistent manner. This mitigates the troublesome long lived perturbations in the ohmic current profile that is normally caused by inconsistent initial data. To achieve this goal our simulation uses a sequence of time dependent eqdsks generated autonomously by the EFIT MHD equilibrium code in analyzing experimental data to supply the history for the simulation.

A passive and active microwave-vector radiative transfer (PAM-VRT) model

NASA Astrophysics Data System (ADS)

Yang, Jun; Min, Qilong

2015-11-01

A passive and active microwave vector radiative transfer (PAM-VRT) package has been developed. This fast and accurate forward microwave model, with flexible and versatile input and output components, self-consistently and realistically simulates measurements/radiation of passive and active microwave sensors. The core PAM-VRT, microwave radiative transfer model, consists of five modules: gas absorption (two line-by-line databases and four fast models); hydrometeor property of water droplets and ice (spherical and nonspherical) particles; surface emissivity (from Community Radiative Transfer Model (CRTM)); vector radiative transfer of successive order of scattering (VSOS); and passive and active microwave simulation. The PAM-VRT package has been validated against other existing models, demonstrating good accuracy. The PAM-VRT not only can be used to simulate or assimilate measurements of existing microwave sensors, but also can be used to simulate observation results at some new microwave sensors.

Effect of self-consistent magnetic field on plasma sheet penetration to the inner magnetosphere under enhanced convection: RCM simulations combined with force-balance magnetic field solver

NASA Astrophysics Data System (ADS)

Gkioulidou, M.; Wang, C.; Lyons, L. R.; Wolf, R. A.

2010-12-01

Transport of plasma sheet particles into the inner magnetosphere is strongly affected by the penetration of the convection electric field, which is the result of the large-scale magnetosphere-ionosphere electromagnetic coupling. This transport, on the other hand, results in plasma heating and magnetic field stretching, which become very significant in the inner plasma sheet (inside 20 RE). We have previously run simulations with the Rice Convection Model (RCM) to investigate how the earthward penetration of convection electric field, and therefore plasma sheet population, depends on plasma sheet boundary conditions. Outer boundary conditions at r ~20 RE are a function of MLT and interplanetary conditions based on 11 years of Geotail data. In the previous simulations, Tsyganenko 96 magnetic field model (T96) was used so force balance between plasma pressure and magnetic fields was not maintained. We have now integrated the RCM with a magnetic field solver (Liu et al., 2006) to obtain the required force balance in the equatorial plane. We have run the self-consistent simulations under enhanced convection with different boundary conditions in which we kept different parameters (flux tube particle content, plasma pressure, plasma beta, or magnetic fields) at the outer boundary to be MLT-dependent but time independent. Different boundary conditions result in qualitatively similar plasma sheet profiles. The results show that magnetic field has a dawn dusk asymmetry with field lines being more stretched in the pre-midnight sector, due to relatively higher plasma pressure there. The asymmetry in the magnetic fields in turn affects the radial distance and MLT of plasma sheet penetration into the inner magnetosphere. In comparison with results using the T96, plasma transport under self-consistent magnetic field results in proton and electron plasma sheet inner edges that are located in higher latitudes, weaker pressure gradients, and more efficient shielding of the near-Earth convection electric field (since auroral conductance is also confined to higher latitudes). We are currently evaluating the simulated plasma sheet properties by comparing them with statistical results obtained from Geotail and THEMIS observations.

Velocity Data in a Fully Developed Wind Turbine Array Boundary Layer

NASA Astrophysics Data System (ADS)

Turner, John; Wosnik, Martin

2016-11-01

Results are reported from an experimental study of an array of porous disks simulating offshore wind turbines. The disks mimic power extraction of similarly scaled wind turbines via drag matching, and the array consists of 19x5 disks of 0.25 m diameter. The study was conducted in the UNH Flow Physics Facility (FPF), which has test section dimensions of 6.0 m wide, 2.7 m high and 72.0 m long. The FPF can achieve a boundary layer height on the order of 1 m at the entrance of the wind turbine array which puts the model turbines in the bottom third of the boundary layer, which is typical of field application. Careful consideration was given to an expanded uncertainty analysis, to determine possible measurements in this type of flow. For a given configuration (spacing, initial conditions, etc.), the velocity levels out and the wind farm approaches fully developed behavior, even within the maintained growth of the simulated atmospheric boundary layer. Benchmark pitot tube data was acquired in vertical profiles progressing streamwise behind the centered column at every row in the array.

LHCb Conditions database operation assistance systems

NASA Astrophysics Data System (ADS)

Clemencic, M.; Shapoval, I.; Cattaneo, M.; Degaudenzi, H.; Santinelli, R.

2012-12-01

The Conditions Database (CondDB) of the LHCb experiment provides versioned, time dependent geometry and conditions data for all LHCb data processing applications (simulation, high level trigger (HLT), reconstruction, analysis) in a heterogeneous computing environment ranging from user laptops to the HLT farm and the Grid. These different use cases impose front-end support for multiple database technologies (Oracle and SQLite are used). Sophisticated distribution tools are required to ensure timely and robust delivery of updates to all environments. The content of the database has to be managed to ensure that updates are internally consistent and externally compatible with multiple versions of the physics application software. In this paper we describe three systems that we have developed to address these issues. The first system is a CondDB state tracking extension to the Oracle 3D Streams replication technology, to trap cases when the CondDB replication was corrupted. Second, an automated distribution system for the SQLite-based CondDB, providing also smart backup and checkout mechanisms for the CondDB managers and LHCb users respectively. And, finally, a system to verify and monitor the internal (CondDB self-consistency) and external (LHCb physics software vs. CondDB) compatibility. The former two systems are used in production in the LHCb experiment and have achieved the desired goal of higher flexibility and robustness for the management and operation of the CondDB. The latter one has been fully designed and is passing currently to the implementation stage.

Non-linear quantum-classical scheme to simulate non-equilibrium strongly correlated fermionic many-body dynamics

PubMed Central

Kreula, J. M.; Clark, S. R.; Jaksch, D.

2016-01-01

We propose a non-linear, hybrid quantum-classical scheme for simulating non-equilibrium dynamics of strongly correlated fermions described by the Hubbard model in a Bethe lattice in the thermodynamic limit. Our scheme implements non-equilibrium dynamical mean field theory (DMFT) and uses a digital quantum simulator to solve a quantum impurity problem whose parameters are iterated to self-consistency via a classically computed feedback loop where quantum gate errors can be partly accounted for. We analyse the performance of the scheme in an example case. PMID:27609673

Self-consistent fluid modeling and simulation on a pulsed microwave atmospheric-pressure argon plasma jet

NASA Astrophysics Data System (ADS)

Chen, Zhaoquan; Yin, Zhixiang; Chen, Minggong; Hong, Lingli; Xia, Guangqing; Hu, Yelin; Huang, Yourui; Liu, Minghai; Kudryavtsev, A. A.

2014-10-01

In present study, a pulsed lower-power microwave-driven atmospheric-pressure argon plasma jet has been introduced with the type of coaxial transmission line resonator. The plasma jet plume is with room air temperature, even can be directly touched by human body without any hot harm. In order to study ionization process of the proposed plasma jet, a self-consistent hybrid fluid model is constructed in which Maxwell's equations are solved numerically by finite-difference time-domain method and a fluid model is used to study the characteristics of argon plasma evolution. With a Guass type input power function, the spatio-temporal distributions of the electron density, the electron temperature, the electric field, and the absorbed power density have been simulated, respectively. The simulation results suggest that the peak values of the electron temperature and the electric field are synchronous with the input pulsed microwave power but the maximum quantities of the electron density and the absorbed power density are lagged to the microwave power excitation. In addition, the pulsed plasma jet excited by the local enhanced electric field of surface plasmon polaritons should be the discharge mechanism of the proposed plasma jet.

Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression.

PubMed

Meng, Yilin; Roux, Benoît

2015-08-11

The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased density of state is determined by satisfying a self-consistent condition through an iterative procedure. While the method works very effectively when the number of order parameters is small, its computational cost grows rapidly in higher dimension. Here, we present a simple and efficient alternative strategy, which avoids solving the self-consistent WHAM equations iteratively. An efficient multivariate linear regression framework is utilized to link the biased probability densities of individual umbrella windows and yield an unbiased global free energy landscape in the space of order parameters. It is demonstrated with practical examples that free energy landscapes that are comparable in accuracy to WHAM can be generated at a small fraction of the cost.

Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression

PubMed Central

2015-01-01

The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased density of state is determined by satisfying a self-consistent condition through an iterative procedure. While the method works very effectively when the number of order parameters is small, its computational cost grows rapidly in higher dimension. Here, we present a simple and efficient alternative strategy, which avoids solving the self-consistent WHAM equations iteratively. An efficient multivariate linear regression framework is utilized to link the biased probability densities of individual umbrella windows and yield an unbiased global free energy landscape in the space of order parameters. It is demonstrated with practical examples that free energy landscapes that are comparable in accuracy to WHAM can be generated at a small fraction of the cost. PMID:26574437

Self-consistent modelling of the polar thermosphere and ionosphere to magnetospheric convection and precipitation (invited review)

NASA Technical Reports Server (NTRS)

Rees, D.; Fuller-Rowell, T.; Quegan, S.; Moffett, R.

1986-01-01

It has recently been demonstrated that the dramatic effects of plasma precipitation and convection on the composition and dynamics of the polar thermosphere and ionosphere include a number of strong interactive, or feedback, processes. To aid the evaluation of these feedback processes, a joint three dimensional time dependent global model of the Earth's thermosphere and ionosphere was developed in a collaboration between University College London and Sheffield University. This model includes self consistent coupling between the thermosphere and the ionosphere in the polar regions. Some of the major features in the polar ionosphere, which the initial simulations indicate are due to the strong coupling of ions and neutrals in the presence of strong electric fields and energetic electron precipitation are reviewed. The model is also able to simulate seasonal and Universal time variations in the polar thermosphere and ionospheric regions which are due to the variations of solar photoionization in specific geomagnetic regions such as the cusp and polar cap.

A publicly available SSC+EC code.

NASA Astrophysics Data System (ADS)

Georganopoulos, M.; Perlman, E. S.; Kazanas, D.; Wingert, B.; Castro, R.

2004-08-01

We present a time-dependent one zone SSC+EC code that takes into account the KN-cross section, and calculates self-consistently all orders of Compton scattering. In particular, it produces separate results for the first order Compton component, and for the total Compton emission. The kinetic equation is solved using a stable implicit scheme, and the user can select from a range of physically motivated temporal electron injection profile. The code is written in C, is fully documented and will soon be publicly available through the Internet, along with a set of IDL visualization routines.

[Educational usefulness of lung auscultation training with an auscultation simulator].

PubMed

Arimura, Yasuji; Komatsu, Hiroyuki; Yanagi, Shigehisa; Matsumoto, Nobuhiro; Okayama, Akihiko; Hayashi, Katsuhiro; Nakazato, Masamitsu

2011-06-01

We examined the educational usefulness of lung auscultation training with an auscultation simulator "Mr. Lung". Auscultation training was conducted for fifth-year students of the Medical Department of the University of Miyazaki, and consisted of a lecture by a pulmonologist (Board Certified Member of the Japanese Respiratory Society) and skill training using Mr. Lung for a total of 90 min. We compared the percentages of students who correctly identified 4 adventitious sounds before and after training. We also investigated the responses to a self-report questionnaire on self-evaluation after training, auscultation experiences before training, and opinions regarding medical education with the simulator. The subjects' correct answer rate before training was 40% or less and that for the correct identification of rhonchi was the lowest (5%). The correct answer rate, which was not influenced by previous experience of auscultation, significantly increased after training (80% or more). In the self-report questionnaire, about 90% of the students answered that the ability to identify lung sounds by auscultation was necessary for all doctors and that the simulator was effective for acquiring this skill. The auscultation simulator may be useful for medical students not only to enhance auscultatory skills but also to realize the importance of auscultation in clinical examination.

Evolving self-assembly in autonomous homogeneous robots: experiments with two physical robots.

PubMed

Ampatzis, Christos; Tuci, Elio; Trianni, Vito; Christensen, Anders Lyhne; Dorigo, Marco

2009-01-01

This research work illustrates an approach to the design of controllers for self-assembling robots in which the self-assembly is initiated and regulated by perceptual cues that are brought forth by the physical robots through their dynamical interactions. More specifically, we present a homogeneous control system that can achieve assembly between two modules (two fully autonomous robots) of a mobile self-reconfigurable system without a priori introduced behavioral or morphological heterogeneities. The controllers are dynamic neural networks evolved in simulation that directly control all the actuators of the two robots. The neurocontrollers cause the dynamic specialization of the robots by allocating roles between them based solely on their interaction. We show that the best evolved controller proves to be successful when tested on a real hardware platform, the swarm-bot. The performance achieved is similar to the one achieved by existing modular or behavior-based approaches, also due to the effect of an emergent recovery mechanism that was neither explicitly rewarded by the fitness function, nor observed during the evolutionary simulation. Our results suggest that direct access to the orientations or intentions of the other agents is not a necessary condition for robot coordination: Our robots coordinate without direct or explicit communication, contrary to what is assumed by most research works in collective robotics. This work also contributes to strengthening the evidence that evolutionary robotics is a design methodology that can tackle real-world tasks demanding fine sensory-motor coordination.

Density-functional theory molecular dynamics simulations of a-HfO2/a-SiO2/SiGe and a-HfO2/a-SiO2/Ge with a-SiO2 and a-SiO suboxide interfacial layers

NASA Astrophysics Data System (ADS)

Chagarov, Evgueni A.; Kavrik, Mahmut S.; Fang, Ziwei; Tsai, Wilman; Kummel, Andrew C.

2018-06-01

Comprehensive Density-Functional Theory (DFT) Molecular Dynamics (MD) simulations were performed to investigate interfaces between a-HfO2 and SiGe or Ge semiconductors with fully-stoichiometric a-SiO2 or sub-oxide SiO interlayers. The electronic structure of the selected stacks was calculated with a HSE06 hybrid functional. Simulations were performed before and after hydrogen passivation of residual interlayer defects. For the SiGe substrate with Ge termination prior to H passivation, the stacks with a-SiO suboxide interlayer (a-HfO2/a-SiO/SiGe) demonstrate superior electronic properties and wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/SiGe). After H passivation, most of the a-HfO2/a-SiO2/SiGe defects are passivated. To investigate effect of random placement of Si and Ge atoms additional simulations with a randomized SiGe slab were performed demonstrating improvement of electronic structure. For Ge substrates, before H passivation, the stacks with a SiO suboxide interlayer (a-HfO2/a-SiO/Ge) also demonstrate wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/Ge). However, even for a-HfO2/a-SiO/Ge, the Fermi level is shifted close to the conduction band edge (CBM) consistent with Fermi level pinning. Again, after H passivation, most of the a-HfO2/a-SiO2/Ge defects are passivated. The stacks with fully coordinated a-SiO2 interlayers have much stronger deformation and irregularity in the semiconductor (SiGe or Ge) upper layers leading to multiple under-coordinated atoms which create band-edge states and decrease the band-gap prior to H passivation.

The life cycle of starbursting circumnuclear gas discs

NASA Astrophysics Data System (ADS)

Schartmann, M.; Mould, J.; Wada, K.; Burkert, A.; Durré, M.; Behrendt, M.; Davies, R. I.; Burtscher, L.

2018-01-01

High-resolution observations from the submm to the optical wavelength regime resolve the central few 100 pc region of nearby galaxies in great detail. They reveal a large diversity of features: thick gas and stellar discs, nuclear starbursts, inflows and outflows, central activity, jet interaction, etc. Concentrating on the role circumnuclear discs play in the life cycles of galactic nuclei, we employ 3D adaptive mesh refinement hydrodynamical simulations with the RAMSES code to self-consistently trace the evolution from a quasi-stable gas disc, undergoing gravitational (Toomre) instability, the formation of clumps and stars and the disc's subsequent, partial dispersal via stellar feedback. Our approach builds upon the observational finding that many nearby Seyfert galaxies have undergone intense nuclear starbursts in their recent past and in many nearby sources star formation is concentrated in a handful of clumps on a few 100 pc distant from the galactic centre. We show that such observations can be understood as the result of gravitational instabilities in dense circumnuclear discs. By comparing these simulations to available integral field unit observations of a sample of nearby galactic nuclei, we find consistent gas and stellar masses, kinematics, star formation and outflow properties. Important ingredients in the simulations are the self-consistent treatment of star formation and the dynamical evolution of the stellar distribution as well as the modelling of a delay time distribution for the supernova feedback. The knowledge of the resulting simulated density structure and kinematics on pc scale is vital for understanding inflow and feedback processes towards galactic scales.

2-D Modeling of Nanoscale MOSFETs: Non-Equilibrium Green's Function Approach

NASA Technical Reports Server (NTRS)

Svizhenko, Alexei; Anantram, M. P.; Govindan, T. R.; Biegel, Bryan

2001-01-01

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Electron-electron interaction is treated within Hartree approximation by solving NEGF and Poisson equations self-consistently. For the calculations presented here, parallelization is performed by distributing the solution of NEGF equations to various processors, energy wise. We present simulation of the "benchmark" MIT 25nm and 90nm MOSFETs and compare our results to those from the drift-diffusion simulator and the quantum-corrected results available. In the 25nm MOSFET, the channel length is less than ten times the electron wavelength, and the electron scattering time is comparable to its transit time. Our main results are: (1) Simulated drain subthreshold current characteristics are shown, where the potential profiles are calculated self-consistently by the corresponding simulation methods. The current predicted by our quantum simulation has smaller subthreshold slope of the Vg dependence which results in higher threshold voltage. (2) When gate oxide thickness is less than 2 nm, gate oxide leakage is a primary factor which determines off-current of a MOSFET (3) Using our 2-D NEGF simulator, we found several ways to drastically decrease oxide leakage current without compromising drive current. (4) Quantum mechanically calculated electron density is much smaller than the background doping density in the poly silicon gate region near oxide interface. This creates an additional effective gate voltage. Different ways to. include this effect approximately will be discussed.

Use of Hilbert Curves in Parallelized CUDA code: Interaction of Interstellar Atoms with the Heliosphere

NASA Astrophysics Data System (ADS)

Destefano, Anthony; Heerikhuisen, Jacob

2015-04-01

Fully 3D particle simulations can be a computationally and memory expensive task, especially when high resolution grid cells are required. The problem becomes further complicated when parallelization is needed. In this work we focus on computational methods to solve these difficulties. Hilbert curves are used to map the 3D particle space to the 1D contiguous memory space. This method of organization allows for minimized cache misses on the GPU as well as a sorted structure that is equivalent to an octal tree data structure. This type of sorted structure is attractive for uses in adaptive mesh implementations due to the logarithm search time. Implementations using the Message Passing Interface (MPI) library and NVIDIA's parallel computing platform CUDA will be compared, as MPI is commonly used on server nodes with many CPU's. We will also compare static grid structures with those of adaptive mesh structures. The physical test bed will be simulating heavy interstellar atoms interacting with a background plasma, the heliosphere, simulated from fully consistent coupled MHD/kinetic particle code. It is known that charge exchange is an important factor in space plasmas, specifically it modifies the structure of the heliosphere itself. We would like to thank the Alabama Supercomputer Authority for the use of their computational resources.

Orientation of surfactant self-assembled aggregates on graphite

NASA Astrophysics Data System (ADS)

Sammalkorpi, Maria; Hynninen, Antti-Pekka; Panagiotopoulos, Athanassios Z.; Haataja, Mikko

2007-03-01

Micellar aggregates on surfaces can provide a self-healing corrosion protection or lubrication layer. It has been observed experimentally that on a single crystal surface this layer often consists of oriented hemi-cylindrical micelles which are aligned with the underlying crystal lattice (``orientation effect''). A key feature of this self-assembly process is the interplay between detergent--detergent and detergent--surface interactions. Since the dimensions of the detergent molecules and the unit cell of the surface are typically quite different, the origins of this orientation effect remain unclear. Here we address the question and present the results of Molecular Dynamics simulations of sodium dodecyl sulfate (SDS) self-aggregation on graphite. We employ both single-molecule and multi-molecule simulations of SDS to unravel the origins of the orientation effect. We report that the underlying graphite surface is sufficient to impose orientational bias on individual SDS molecules diffusing on the surface. This produces collective effects that give rise to the oriented hemi-micelles.

A New Coupled Ocean-Waves-Atmosphere Model Designed for Tropical Storm Studies: Example of Tropical Cyclone Bejisa (2013-2014) in the South-West Indian Ocean

NASA Astrophysics Data System (ADS)

Pianezze, J.; Barthe, C.; Bielli, S.; Tulet, P.; Jullien, S.; Cambon, G.; Bousquet, O.; Claeys, M.; Cordier, E.

2018-03-01

Ocean-Waves-Atmosphere (OWA) exchanges are not well represented in current Numerical Weather Prediction (NWP) systems, which can lead to large uncertainties in tropical cyclone track and intensity forecasts. In order to explore and better understand the impact of OWA interactions on tropical cyclone modeling, a fully coupled OWA system based on the atmospheric model Meso-NH, the oceanic model CROCO, and the wave model WW3 and called MSWC was designed and applied to the case of tropical cyclone Bejisa (2013-2014). The fully coupled OWA simulation shows good agreement with the literature and available observations. In particular, simulated significant wave height is within 30 cm of measurements made with buoys and altimeters. Short-term (< 2 days) sensitivity experiments used to highlight the effect of oceanic waves coupling show limited impact on the track, the intensity evolution, and the turbulent surface fluxes of the tropical cyclone. However, it is also shown that using a fully coupled OWA system is essential to obtain consistent sea salt emissions. Spatial and temporal coherence of the sea state with the 10 m wind speed are necessary to produce sea salt aerosol emissions in the right place (in the eyewall of the tropical cyclone) and with the right size distribution, which is critical for cloud microphysics.

SmaggIce 2D Version 1.8: Software Toolkit Developed for Aerodynamic Simulation Over Iced Airfoils

NASA Technical Reports Server (NTRS)

Choo, Yung K.; Vickerman, Mary B.

2005-01-01

SmaggIce 2D version 1.8 is a software toolkit developed at the NASA Glenn Research Center that consists of tools for modeling the geometry of and generating the grids for clean and iced airfoils. Plans call for the completed SmaggIce 2D version 2.0 to streamline the entire aerodynamic simulation process--the characterization and modeling of ice shapes, grid generation, and flow simulation--and to be closely coupled with the public-domain application flow solver, WIND. Grid generated using version 1.8, however, can be used by other flow solvers. SmaggIce 2D will help researchers and engineers study the effects of ice accretion on airfoil performance, which is difficult to do with existing software tools because of complex ice shapes. Using SmaggIce 2D, when fully developed, to simulate flow over an iced airfoil will help to reduce the cost of performing flight and wind-tunnel tests for certifying aircraft in natural and simulated icing conditions.

Self-consistent current sheet structures in the quiet-time magnetotail

NASA Technical Reports Server (NTRS)

Holland, Daniel L.; Chen, James

1993-01-01

The structure of the quiet-time magnetotail is studied using a test particle simulation. Vlasov equilibria are obtained in the regime where v(D) = E(y) c/B(z) is much less than the ion thermal velocity and are self-consistent in that the current and magnetic field satisfy Ampere's law. Force balance between the plasma and magnetic field is satisfied everywhere. The global structure of the current sheet is found to be critically dependent on the source distribution function. The pressure tensor is nondiagonal in the current sheet with anisotropic temperature. A kinetic mechanism is proposed whereby changes in the source distribution results in a thinning of the current sheet.

Development of a real-time simulation tool towards self-consistent scenario of plasma start-up and sustainment on helical fusion reactor FFHR-d1

NASA Astrophysics Data System (ADS)

Goto, T.; Miyazawa, J.; Sakamoto, R.; Suzuki, Y.; Suzuki, C.; Seki, R.; Satake, S.; Huang, B.; Nunami, M.; Yokoyama, M.; Sagara, A.; the FFHR Design Group

2017-06-01

This study closely investigates the plasma operation scenario for the LHD-type helical reactor FFHR-d1 in view of MHD equilibrium/stability, neoclassical transport, alpha energy loss and impurity effect. In 1D calculation code that reproduces the typical pellet discharges in LHD experiments, we identify a self-consistent solution of the plasma operation scenario which achieves steady-state sustainment of the burning plasma with a fusion gain of Q ~ 10 was found within the operation regime that has been already confirmed in LHD experiment. The developed calculation tool enables systematic analysis of the operation regime in real time.

Thermodynamically self-consistent theory for the Blume-Capel model.

PubMed

Grollau, S; Kierlik, E; Rosinberg, M L; Tarjus, G

2001-04-01

We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

Correlate of self-care and self-neglect among community-dwelling older adults

PubMed Central

Mardan, Homa; Hamid, TengkuAizan; Redzuan, Ma’rof; Ibrahim, Rahimah

2014-01-01

Background: The prevalence of self-neglect among the elderly is expected to rise with a rapid increase in the growth of the older population. However, self-neglect in the elderly and the factors related to it are not fully understood due to the limited research in the area, lack of consensus in the definition of the concept, and limited instrumentation. The purpose of this study was to investigate the relationship between selected socio-demographic factors on self-care and self-neglect among older persons living in the community. Materials and Methods: A cross-sectional survey design with cluster sampling was adopted for the study. Data were gathered from 201 older persons aged 60 years and over in the state of Selangor, Malaysia, through face-to-face interviews in their homes with a team of trained enumerators. A new instrument was developed to measure self-neglect. Results: The internal consistency of the new instrument showed a reliability of 0.90. A significant bivariate relationship was noted between self-care and self-neglect. The socio-demographic factors were also reported between self-care and self-neglect. Conclusions: The new instrument of elder self-neglect (ESN) could be used to measure self-neglect in a community dwelling. The need to increase the self-care skills and the capacity of self-care among older adults is crucial in order to reduce self-neglect and enhance their well-being. PMID:25949256

Preface to Special Topic: Collective Effects in Particle Beams and Nonneutral Plasmas

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

Gilson, Erik P.; Qin, Hong

Nonneutral plasmas are plasma systems in which there is no overall charge neutrality, including the limit of systems that are fully unneutralized in which there are particles of only a single sign of charge. Here, examples of nonneutral plasmas include charged-particle beams, pure electron plasmas, pure positron plasmas, and pure-ion plasmas consisting of a variety of ion charge states in a single trap. A key feature of nonneutral plasmas which distinguishes them from quasineutral plasmas is that their self-electric and self-magnetic fields can play a dominant role in the behavior of the system. Moreover, single-component plasmas can be confined inmore » states of global thermal equilibrium, enabling detailed theoretical and experimental studies of fundamental plasma phenomena and precise testing of models.« less

Electrokinetic Supercapacitor for Simultaneous Harvesting and Storage of Mechanical Energy.

PubMed

Yang, Peihua; Qu, Xiaopeng; Liu, Kang; Duan, Jiangjiang; Li, Jia; Chen, Qian; Xue, Guobin; Xie, Wenke; Xu, Zhimou; Zhou, Jun

2018-03-07

Energy harvesting and storage are two distinct processes that are generally achieved using two separated parts based on different physical and chemical principles. Here we report a self-charging electrokinetic supercapacitor that directly couples the energy harvesting and storage processes into one device. The device consists of two identical carbon nanotube/titanium electrodes, separated by a piece of anodic aluminum oxide nanochannels membrane. Pressure-driven electrolyte flow through the nanochannels generates streaming potential, which can be used to charge the capacitive electrodes, accomplishing simultaneous energy generation and storage. The device stores electric charge density of 0.4 mC cm -2 after fully charging under pressure of 2.5 bar. This work may offer a train of thought for the development of a new type of energy unit for self-powered systems.

Preface to Special Topic: Collective Effects in Particle Beams and Nonneutral Plasmas

DOE PAGES

Gilson, Erik P.; Qin, Hong

2018-01-30

Nonneutral plasmas are plasma systems in which there is no overall charge neutrality, including the limit of systems that are fully unneutralized in which there are particles of only a single sign of charge. Here, examples of nonneutral plasmas include charged-particle beams, pure electron plasmas, pure positron plasmas, and pure-ion plasmas consisting of a variety of ion charge states in a single trap. A key feature of nonneutral plasmas which distinguishes them from quasineutral plasmas is that their self-electric and self-magnetic fields can play a dominant role in the behavior of the system. Moreover, single-component plasmas can be confined inmore » states of global thermal equilibrium, enabling detailed theoretical and experimental studies of fundamental plasma phenomena and precise testing of models.« less

Nonlinear saturation of the slab ITG instability and zonal flow generation with fully kinetic ions

NASA Astrophysics Data System (ADS)

Miecnikowski, Matthew T.; Sturdevant, Benjamin J.; Chen, Yang; Parker, Scott E.

2018-05-01

Fully kinetic turbulence models are of interest for their potential to validate or replace gyrokinetic models in plasma regimes where the gyrokinetic expansion parameters are marginal. Here, we demonstrate fully kinetic ion capability by simulating the growth and nonlinear saturation of the ion-temperature-gradient instability in shearless slab geometry assuming adiabatic electrons and including zonal flow dynamics. The ion trajectories are integrated using the Lorentz force, and the cyclotron motion is fully resolved. Linear growth and nonlinear saturation characteristics show excellent agreement with analogous gyrokinetic simulations across a wide range of parameters. The fully kinetic simulation accurately reproduces the nonlinearly generated zonal flow. This work demonstrates nonlinear capability, resolution of weak gradient drive, and zonal flow physics, which are critical aspects of modeling plasma turbulence with full ion dynamics.

Agent-Based Simulation of Robotic Systems

DTIC Science & Technology

2003-06-01

of Birds....................................................................................11 3. Termites ...nearby flock-mates 3. Termites Another highly interesting self-organization example is encountered in termites : the periodic assembling of a nest by...a population (Kugler and Turvey, 1987). The nest building behavior of termites consists of several distinct phases of construction. In the first

The Energy Coding of a Structural Neural Network Based on the Hodgkin-Huxley Model.

PubMed

Zhu, Zhenyu; Wang, Rubin; Zhu, Fengyun

2018-01-01

Based on the Hodgkin-Huxley model, the present study established a fully connected structural neural network to simulate the neural activity and energy consumption of the network by neural energy coding theory. The numerical simulation result showed that the periodicity of the network energy distribution was positively correlated to the number of neurons and coupling strength, but negatively correlated to signal transmitting delay. Moreover, a relationship was established between the energy distribution feature and the synchronous oscillation of the neural network, which showed that when the proportion of negative energy in power consumption curve was high, the synchronous oscillation of the neural network was apparent. In addition, comparison with the simulation result of structural neural network based on the Wang-Zhang biophysical model of neurons showed that both models were essentially consistent.

Sea ice simulations based on fields generated by the GLAS GCM. [Goddard Laboratory for Atmospheric Sciences General Circulation Model

NASA Technical Reports Server (NTRS)

Parkinson, C. L.; Herman, G. F.

1980-01-01

The GLAS General Circulation Model (GCM) was applied to the four-month simulation of the thermodynamic part of the Parkinson-Washington sea ice model using atmospheric boundary conditions. The sea ice thickness and distribution were predicted for the Jan. 1-Apr. 30 period using the GCM-fields of solar and infrared radiation, specific humidity and air temperature at the surface, and snow accumulation; the sensible heat and evaporative surface fluxes were consistent with the ground temperatures produced by the ice model and the air temperatures determined by the atmospheric concept. It was concluded that the Parkinson-Washington sea ice model results in acceptable ice concentrations and thicknesses when used with GLAS GCM for the Jan.-Apr. period suggesting the feasibility of fully coupled ice-atmosphere simulations with these two approaches.

Improved pump turbine transient behaviour prediction using a Thoma number-dependent hillchart model

NASA Astrophysics Data System (ADS)

Manderla, M.; Kiniger, K.; Koutnik, J.

2014-03-01

Water hammer phenomena are important issues for high head hydro power plants. Especially, if several reversible pump-turbines are connected to the same waterways there may be strong interactions between the hydraulic machines. The prediction and coverage of all relevant load cases is challenging and difficult using classical simulation models. On the basis of a recent pump-storage project, dynamic measurements motivate an improved modeling approach making use of the Thoma number dependency of the actual turbine behaviour. The proposed approach is validated for several transient scenarios and turns out to increase correlation between measurement and simulation results significantly. By applying a fully automated simulation procedure broad operating ranges can be covered which provides a consistent insight into critical load case scenarios. This finally allows the optimization of the closing strategy and hence the overall power plant performance.

Virtual reality simulation training of mastoidectomy - studies on novice performance.

PubMed

Andersen, Steven Arild Wuyts

2016-08-01

Virtual reality (VR) simulation-based training is increasingly used in surgical technical skills training including in temporal bone surgery. The potential of VR simulation in enabling high-quality surgical training is great and VR simulation allows high-stakes and complex procedures such as mastoidectomy to be trained repeatedly, independent of patients and surgical tutors, outside traditional learning environments such as the OR or the temporal bone lab, and with fewer of the constraints of traditional training. This thesis aims to increase the evidence-base of VR simulation training of mastoidectomy and, by studying the final-product performances of novices, investigates the transfer of skills to the current gold-standard training modality of cadaveric dissection, the effect of different practice conditions and simulator-integrated tutoring on performance and retention of skills, and the role of directed, self-regulated learning. Technical skills in mastoidectomy were transferable from the VR simulation environment to cadaveric dissection with significant improvement in performance after directed, self-regulated training in the VR temporal bone simulator. Distributed practice led to a better learning outcome and more consolidated skills than massed practice and also resulted in a more consistent performance after three months of non-practice. Simulator-integrated tutoring accelerated the initial learning curve but also caused over-reliance on tutoring, which resulted in a drop in performance when the simulator-integrated tutor-function was discontinued. The learning curves were highly individual but often plateaued early and at an inadequate level, which related to issues concerning both the procedure and the VR simulator, over-reliance on the tutor function and poor self-assessment skills. Future simulator-integrated automated assessment could potentially resolve some of these issues and provide trainees with both feedback during the procedure and immediate assessment following each procedure. Standard setting by establishing a proficiency level that can be used for mastery learning with deliberate practice could also further sophisticate directed, self-regulated learning in VR simulation-based training. VR simulation-based training should be embedded in a systematic and competency-based training curriculum for high-quality surgical skills training, ultimately leading to improved safety and patient care.

Dust trap formation in a non-self-sustained discharge with external gas ionization

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

Filippov, A. V., E-mail: fav@triniti.ru; Babichev, V. N.; Pal’, A. F.

2015-11-15

Results from numerical studies of a non-self-sustained gas discharge containing micrometer dust grains are presented. The non-self-sustained discharge (NSSD) was controlled by a stationary fast electron beam. The numerical model of an NSSD is based on the diffusion drift approximation for electrons and ions and self-consistently takes into account the influence of the dust component on the electron and ion densities. The dust component is described by the balance equation for the number of dust grains and the equation of motion for dust grains with allowance for the Stokes force, gravity force, and electric force in the cathode sheath. Themore » interaction between dust grains is described in the self-consistent field approximation. The height of dust grain levitation over the cathode is determined and compared with experimental results. It is established that, at a given gas ionization rate and given applied voltage, there is a critical dust grain size above which the levitation condition in the cathode sheath cannot be satisfied. Simulations performed for the dust component consisting of dust grains of two different sizes shows that such grains levitate at different heights, i.e., size separation of dust drains levitating in the cathode sheath of an NSSD takes place.« less

Simulation of Texture Evolution during Uniaxial Deformation of Commercially Pure Titanium

NASA Astrophysics Data System (ADS)

Bishoyi, B.; Debta, M. K.; Yadav, S. K.; Sabat, R. K.; Sahoo, S. K.

2018-03-01

The evolution of texture in commercially pure (CP) titanium during uniaxial tension and compression through VPSC (Visco-plastic self-consistent) simulation is reported in the present study. CP-titanium was subjected to both uniaxial tension and compression upto 35% deformation. During uniaxial tension, tensile twin of \\{10\\bar{1}2\\}\\unicode{x003C;}\\bar{1}011\\unicode{x003E;} type and compressive twin of \\{11\\bar{2}2\\}\\unicode{x003C;}11\\bar{2}\\bar{3}\\unicode{x003E;} type were observed in the samples. However, only tensile twin of \\{10\\bar{1}2\\}\\unicode{x003C;}\\bar{1}011\\unicode{x003E;} type and compressive twin of type was observed in the samples during uniaxial compression. Volume fractions of the twins were increased linearly as a function of percentage deformation during uniaxial tension. Whereas, during uniaxial compression the twinning volume fraction was increased up to 20% deformation and then decreased rapidly on further increasing the percentage deformation. During uniaxial tension, the general t-type textures were observed in the samples irrespective of the percentage deformation. The initial non-basal texture was oriented to split basal texture during uniaxial compression of the sample. VPSC formulation was used for simulating the texture development in the material. Different hardening parameters were estimated through correlating the simulated stress-strain curve with the experimental stress-strain data. It was observed that, prismatic slip \\{10\\bar{1}0\\}\\unicode{x003C;}11\\bar{2}0\\unicode{x003E;} operated as the primary deformation mode during uniaxial tension whereas basal slip \\{0001\\}\\unicode{x003C;}11\\bar{2}0\\unicode{x003E;} acquired the leading role during deformation through uniaxial compression. It was also revealed that active deformation modes were fully depending on percentage deformation, loading direction, and orientation of grains.

Reconstructing the Sky Location of Gravitational-Wave Detected Compact Binary Systems: Methodology for Testing and Comparison

NASA Technical Reports Server (NTRS)

Sidney, T.; Aylott, B.; Christensen, N.; Farr, B.; Farr, W.; Feroz, F.; Gair, J.; Grover, K.; Graff, P.; Hanna, C.;

Reconstructing the sky location of gravitational-wave detected compact binary systems: Methodology for testing and comparison

NASA Astrophysics Data System (ADS)

Sidery, T.; Aylott, B.; Christensen, N.; Farr, B.; Farr, W.; Feroz, F.; Gair, J.; Grover, K.; Graff, P.; Hanna, C.; Kalogera, V.; Mandel, I.; O'Shaughnessy, R.; Pitkin, M.; Price, L.; Raymond, V.; Röver, C.; Singer, L.; van der Sluys, M.; Smith, R. J. E.; Vecchio, A.; Veitch, J.; Vitale, S.

2014-04-01

The problem of reconstructing the sky position of compact binary coalescences detected via gravitational waves is a central one for future observations with the ground-based network of gravitational-wave laser interferometers, such as Advanced LIGO and Advanced Virgo. Different techniques for sky localization have been independently developed. They can be divided in two broad categories: fully coherent Bayesian techniques, which are high latency and aimed at in-depth studies of all the parameters of a source, including sky position, and "triangulation-based" techniques, which exploit the data products from the search stage of the analysis to provide an almost real-time approximation of the posterior probability density function of the sky location of a detection candidate. These techniques have previously been applied to data collected during the last science runs of gravitational-wave detectors operating in the so-called initial configuration. Here, we develop and analyze methods for assessing the self consistency of parameter estimation methods and carrying out fair comparisons between different algorithms, addressing issues of efficiency and optimality. These methods are general, and can be applied to parameter estimation problems other than sky localization. We apply these methods to two existing sky localization techniques representing the two above-mentioned categories, using a set of simulated inspiral-only signals from compact binary systems with a total mass of ≤20M⊙ and nonspinning components. We compare the relative advantages and costs of the two techniques and show that sky location uncertainties are on average a factor ≈20 smaller for fully coherent techniques than for the specific variant of the triangulation-based technique used during the last science runs, at the expense of a factor ≈1000 longer processing time.

Collaborative training with a more experienced partner: remediating low pretraining self-efficacy in complex skill acquisition.

PubMed

Day, Eric Anthony; Boatman, Paul R; Kowollik, Vanessa; Espejo, Jazmine; McEntire, Lauren E; Sherwin, Rachel E

2007-12-01

This study examined the effectiveness of collaborative training for individuals with low pretraining self-efficacy versus individuals with high pretraining self-efficacy regarding the acquisition of a complex skill that involved strong cognitive and psychomotor demands. Despite support for collaborative learning from the educational literature and the similarities between collaborative learning and interventions designed to remediate low self-efficacy, no research has addressed how self-efficacy and collaborative learning interact in contexts concerning complex skills and human-machine interactions. One hundred fifty-five young male adults trained either individually or collaboratively with a more experienced partner on a complex computer task that simulated the demands of a dynamic aviation environment. Participants also completed a task-specific measure of self-efficacy before, during, and after training. Collaborative training enhanced skill acquisition significantly more for individuals with low pretraining self-efficacy than for individuals with high pretraining self-efficacy. However, collaborative training did not bring the skill acquisition levels of those persons with low pretraining self-efficacy to the levels found for persons with high pretraining self-efficacy. Moreover, tests of mediation suggested that collaborative training may have enhanced appropriate skill development strategies without actually raising self-efficacy. Although collaborative training can facilitate the skill acquisition process for trainees with low self-efficacy, future research is needed that examines how the negative effects of low pretraining self-efficacy on complex skill acquisition can be more fully remediated. The differential effects of collaborative training as a function of self-efficacy highlight the importance of person analysis and tailoring training to meet differing trainee needs.

Statistical and hydrodynamic properties of double-ring polymers with a fixed linking number between twin rings.

PubMed

Uehara, Erica; Deguchi, Tetsuo

2014-01-28

For a double-ring polymer in solution we evaluate the mean-square radius of gyration and the diffusion coefficient through simulation of off-lattice self-avoiding double polygons consisting of cylindrical segments with radius rex of unit length. Here, a self-avoiding double polygon consists of twin self-avoiding polygons which are connected by a cylindrical segment. We show numerically that several statistical and dynamical properties of double-ring polymers in solution depend on the linking number of the constituent twin ring polymers. The ratio of the mean-square radius of gyration of self-avoiding double polygons with zero linking number to that of no topological constraint is larger than 1, in particular, when the radius of cylindrical segments rex is small. However, the ratio is almost constant with respect to the number of vertices, N, and does not depend on N. The large-N behavior of topological swelling is thus quite different from the case of knotted random polygons.