A Redshift Survey of IRAS Galaxies. II. Methods for Determining Self-consistent Velocity and Density Fields: Erratum

NASA Astrophysics Data System (ADS)

Yahil, Amos; Strauss, Michael A.; Davis, Marc; Huchra, John P.

1991-11-01

In the paper, "A Redshift Survey of IRAS Galaxies. II. Methods for Determining Self-consistent Velocity and Density Fields" by Amos Yahil, Michael A. Strauss, Marc Davis, and John P. Huchra (ApJ, 372,380 [1991]), Figures 14 and 15 were presented out of order, with their legends reversed. Thus, the figure at the bottom of page 391 is Figure 15, and should have the legend: "Fig. 15.-As in Fig. 13, for the method 3 results." The figure at the top of page 392 is Figure 14, and should have the legend: "Fig. 14.-Plot in Galactic coordinates of the quantity V_diff_ for galaxies within 3000 km s^-1^ of the LG. The symbol size is proportional to V_diff_ - 400 km s^-1^, which measures the deviation of the redshift- distance relation along the line of sight to that galaxy from pure Hubble flow."

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.

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.

Gyrokinetic particle simulation of a field reversed configuration

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

Fulton, D. P., E-mail: dfulton@uci.edu; Lau, C. K.; Holod, I.

2016-01-15

Gyrokinetic particle simulation of the field-reversed configuration (FRC) has been developed using the gyrokinetic toroidal code (GTC). The magnetohydrodynamic equilibrium is mapped from cylindrical coordinates to Boozer coordinates for the FRC core and scrape-off layer (SOL), respectively. A field-aligned mesh is constructed for solving self-consistent electric fields using a semi-spectral solver in a partial torus FRC geometry. This new simulation capability has been successfully verified and driftwave instability in the FRC has been studied using the gyrokinetic simulation for the first time. Initial GTC simulations find that in the FRC core, the ion-scale driftwave is stabilized by the large ionmore » gyroradius. In the SOL, the driftwave is unstable on both ion and electron scales.« less

Vibrational self-consistent field theory using optimized curvilinear coordinates.

PubMed

Bulik, Ireneusz W; Frisch, Michael J; Vaccaro, Patrick H

2017-07-28

A vibrational SCF model is presented in which the functions forming the single-mode functions in the product wavefunction are expressed in terms of internal coordinates and the coordinates used for each mode are optimized variationally. This model involves no approximations to the kinetic energy operator and does not require a Taylor-series expansion of the potential. The non-linear optimization of coordinates is found to give much better product wavefunctions than the limited variations considered in most previous applications of SCF methods to vibrational problems. The approach is tested using published potential energy surfaces for water, ammonia, and formaldehyde. Variational flexibility allowed in the current ansätze results in excellent zero-point energies expressed through single-product states and accurate fundamental transition frequencies realized by short configuration-interaction expansions. Fully variational optimization of single-product states for excited vibrational levels also is discussed. The highlighted methodology constitutes an excellent starting point for more sophisticated treatments, as the bulk characteristics of many-mode coupling are accounted for efficiently in terms of compact wavefunctions (as evident from the accurate prediction of transition frequencies).

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.

Conformational Asymmetry and Quasicrystal Approximants in Linear Diblock Copolymers

NASA Astrophysics Data System (ADS)

Schulze, Morgan W.; Lewis, Ronald M.; Lettow, James H.; Hickey, Robert J.; Gillard, Timothy M.; Hillmyer, Marc A.; Bates, Frank S.

2017-05-01

Small angle x-ray scattering experiments on three model low molar mass diblock copolymer systems containing minority polylactide and majority hydrocarbon blocks demonstrate that conformational asymmetry stabilizes the Frank-Kasper σ phase. Differences in block flexibility compete with space filling at constant density inducing the formation of polyhedral shaped particles that assemble into this low symmetry ordered state with local tetrahedral coordination. These results confirm predictions from self-consistent field theory that establish the origins of symmetry breaking in the ordering of block polymer melts subjected to compositional and conformational asymmetry.

The effect of the cosmological constant on a quadrupole signal in the linearized approximation

NASA Astrophysics Data System (ADS)

Somlai, László Ábel; Vasúth, Mátyás

In this study the effects of a nonzero cosmological constant Λ on a quadrupole gravitational wave (GW) signal are analyzed. The linearized approximation of general relativity was used, so the perturbed metric can be written as the sum of hGW GWs and hΛ background term, originated from Λ. The ΛhGW term was also included in this study. To derive physically relevant consequences of Λ≠0 comoving coordinates are used. In these coordinates, the equations of motion (EoMs) are not self-consistent so the result of the linearized theory has to be transformed to the FRW frame. The luminosity distance and the same order of the magnitude of frequency in accordance with the detected GWs were used to demonstrate the effects of the cosmological constant.

AGAMA: Action-based galaxy modeling framework

NASA Astrophysics Data System (ADS)

Vasiliev, Eugene

2018-05-01

The AGAMA library models galaxies. It computes gravitational potential and forces, performs orbit integration and analysis, and can convert between position/velocity and action/angle coordinates. It offers a framework for finding best-fit parameters of a model from data and self-consistent multi-component galaxy models, and contains useful auxiliary utilities such as various mathematical routines. The core of the library is written in C++, and there are Python and Fortran interfaces. AGAMA may be used as a plugin for the stellar-dynamical software packages galpy (ascl:1411.008), AMUSE (ascl:1107.007), and NEMO (ascl:1010.051).

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

Chemical Data Assimilation: A Case Study of Solar Occultation Data From the Atlas 1 Mission of the Atmospheric Trace Molecule Spectroscopy Experiment

NASA Technical Reports Server (NTRS)

Lary, D. J.; Khattatov, B.; Mussa, H.

2003-01-01

A key advantage of using data assimilation is the propagation of information from data-rich regions to data-poor regions, which is particularly relevant to the use of solar occultation data such as from ATMOS. For the first time an in depth uncertainty analyses is included in a photochemical model-data intercomparison including observation, representativeness, and theoretical uncertainty. Chemical data assimilation of solar occultation measurements can be used to reconstruct full diurnal cycles and to evaluate their chemical self-consistency. This paper considers as an example the measurements made by the Atmospheric Trace Molecule Spectroscopy Experiment (ATMOS) instrument Atlas-1 during March 1992 for a vertical profile flow tracking coordinates at an equivalent PV latitude of 38 S. ATMOS was chosen because it simultaneously observes several species. This equivalent PV latitude was chosen as it was where ATMOS n observed the atmosphere's composition over the largest range of altitudes. A single vertical profile was used so that the detailed diurnal information that assimilation utilizes could be highlighted. There is generally good self-consistency between the ATMOS Atlas-1 observations and photochemical theory.

Surface Diagnostics in Tribology Technology and Advanced Coatings Development

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1999-01-01

This paper discusses the methodologies used for surface property measurement of thin films and coatings, lubricants, and materials in the field of tribology. Surface diagnostic techniques include scanning electron microscopy, transmission electron microscopy, atomic force microscopy, stylus profilometry, x-ray diffraction, electron diffraction, Raman spectroscopy, Rutherford backscattering, elastic recoil spectroscopy, and tribology examination. Each diagnostic technique provides specific measurement results in its own unique way. In due course it should be possible to coordinate the different pieces of information provided by these diagnostic techniques into a coherent self-consistent description of the surface properties. Examples are given on the nature and character of thin diamond films.

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.

Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates

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

Cheng, Xiaolu; Steele, Ryan P., E-mail: ryan.steele@utah.edu

This article presents a general computational approach for efficient simulations of anharmonic vibrational spectra in chemical systems. An automated local-mode vibrational approach is presented, which borrows techniques from localized molecular orbitals in electronic structure theory. This approach generates spatially localized vibrational modes, in contrast to the delocalization exhibited by canonical normal modes. The method is rigorously tested across a series of chemical systems, ranging from small molecules to large water clusters and a protonated dipeptide. It is interfaced with exact, grid-based approaches, as well as vibrational self-consistent field methods. Most significantly, this new set of reference coordinates exhibits a well-behavedmore » spatial decay of mode couplings, which allows for a systematic, a priori truncation of mode couplings and increased computational efficiency. Convergence can typically be reached by including modes within only about 4 Å. The local nature of this truncation suggests particular promise for the ab initio simulation of anharmonic vibrational motion in large systems, where connection to experimental spectra is currently most challenging.« less

Chimera states in Gaussian coupled map lattices

NASA Astrophysics Data System (ADS)

Li, Xiao-Wen; Bi, Ran; Sun, Yue-Xiang; Zhang, Shuo; Song, Qian-Qian

2018-04-01

We study chimera states in one-dimensional and two-dimensional Gaussian coupled map lattices through simulations and experiments. Similar to the case of global coupling oscillators, individual lattices can be regarded as being controlled by a common mean field. A space-dependent order parameter is derived from a self-consistency condition in order to represent the collective state.

Pseudo-conformer models for linear molecules: Joint treatment of spectroscopic, electron diffraction and ab initio data for the C3O2 molecule

NASA Astrophysics Data System (ADS)

Tarasov, Yury I.; Kochikov, Igor V.

2018-06-01

Dynamic analysis of the molecules with large-amplitude motions (LAM) based on the pseudo-conformer approach has been successfully applied to various molecules. Floppy linear molecules present a special class of molecular structures that possess a pair of conjugate LAM coordinates but allow one-dimensional treatment. In this paper, previously developed treatment for the semirigid molecules is applied to the carbon suboxide molecule. This molecule characterized by the extremely large CCC bending has been thoroughly investigated by spectroscopic and ab initio methods. However, the earlier electron diffraction investigations were performed within a static approach, obtaining thermally averaged parameters. In this paper we apply a procedure aimed at obtaining the short list of self-consistent reference geometry parameters of a molecule, while all thermally averaged parameters are calculated based on reference geometry, relaxation dependencies and quadratic and cubic force constants. We show that such a model satisfactorily describes available electron diffraction evidence with various QC bending potential energy functions when r.m.s. CCC angle is in the interval 151 ± 2°. This leads to a self-consistent molecular model satisfying spectroscopic and GED data. The parameters for linear reference geometry have been defined as re(CO) = 1.161(2) Å and re(CC) = 1.273(2) Å.

Realistic Gamow shell model for resonance and continuum in atomic nuclei

NASA Astrophysics Data System (ADS)

Xu, F. R.; Sun, Z. H.; Wu, Q.; Hu, B. S.; Dai, S. J.

2018-02-01

The Gamow shell model can describe resonance and continuum for atomic nuclei. The model is established in the complex-moment (complex-k) plane of the Berggren coordinates in which bound, resonant and continuum states are treated on equal footing self-consistently. In the present work, the realistic nuclear force, CD Bonn, has been used. We have developed the full \\hat{Q}-box folded-diagram method to derive the realistic effective interaction in the model space which is nondegenerate and contains resonance and continuum channels. The CD-Bonn potential is renormalized using the V low-k method. With choosing 16O as the inert core, we have applied the Gamow shell model to oxygen isotopes.

Quasi-Particle Self-Consistent GW for Molecules.

PubMed

Kaplan, F; Harding, M E; Seiler, C; Weigend, F; Evers, F; van Setten, M J

2016-06-14

We present the formalism and implementation of quasi-particle self-consistent GW (qsGW) and eigenvalue only quasi-particle self-consistent GW (evGW) adapted to standard quantum chemistry packages. Our implementation is benchmarked against high-level quantum chemistry computations (coupled-cluster theory) and experimental results using a representative set of molecules. Furthermore, we compare the qsGW approach for five molecules relevant for organic photovoltaics to self-consistent GW results (scGW) and analyze the effects of the self-consistency on the ground state density by comparing calculated dipole moments to their experimental values. We show that qsGW makes a significant improvement over conventional G0W0 and that partially self-consistent flavors (in particular evGW) can be excellent alternatives.

Dispersion relation in oscillatory reaction-diffusion systems with self-consistent flow in true slime mold.

PubMed

Yamada, H; Nakagaki, T; Baker, R E; Maini, P K

2007-06-01

In the large amoeboid organism Physarum, biochemical oscillators are spatially distributed throughout the organism and their collective motion exhibits phase waves, which carry physiological signals. The basic nature of this wave behaviour is not well-understood because, to date, an important effect has been neglected, namely, the shuttle streaming of protoplasm which accompanies the biochemical rhythms. Here we study the effects of self-consistent flow on the wave behaviour of oscillatory reaction-diffusion models proposed for the Physarum plasmodium, by means of numerical simulation for the dispersion relation and weakly nonlinear analysis for derivation of the phase equation. We conclude that the flow term is able to increase the speed of phase waves (similar to elongation of wave length). We compare the theoretical consequences with real waves observed in the organism and also point out the physiological roles of these effects on control mechanisms of intracellular communication.

Theoretical investigation of polarization effects in solution: Importance of solvent collective motions

NASA Astrophysics Data System (ADS)

Ishida, Tateki

2015-01-01

Recent theoretical studies on interesting topics related to polarization effects in solutions are presented. As one of interesting topics, ionic liquids (ILs) solvents are focused on. The collective dynamics of electronic polarizability through interionic dynamics and the effect of polarization in ILs, 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]), are studied with molecular dynamics simulation. Also, the time-dependent polarization effect on the probe betaine dye molecule, pyridinium N-phenoxide, in water is investigated by a time-dependent reference interaction site model self-consistent field (time-dependent RISM-SCF) approach. The importance of considering polarization effects on solution systems related to solvent collective motions is shown.

Self-consistent description of the SHFB equations for 112Sn

NASA Astrophysics Data System (ADS)

Ghafouri, M.; Sadeghi, H.; Torkiha, M.

2018-03-01

The Hartree-Fock (HF) method is an excellent approximation of the closed shell magic nuclei. Pair correlation is essential for the description of open shell nuclei and has been derived for even-even, odd-odd and even-odd nuclei. These effects are reported by Hartree-Fock with BCS (HFBCS) or Hartree-Fock-Bogolyubov (HFB). These issues have been investigated, especially in the nuclear charts, and such studies have been compared with the observed information. We compute observations such as total binding energy, charge radius, densities, separation energies, pairing gaps and potential energy surfaces for neutrons and protons, and compare them with experimental data and the result of the spherical codes. In spherical even-even neutron-rich nuclei are considered in the Skyrme-Hartree-Fock-Bogolyubov (SHFB) method with density-dependent pairing interaction. Zero-range density-dependent interactions is used in the pairing channel. We solve SHF or SHFB equations in the spatial coordinates with spherical symmetry for tin isotopes such as 112Sn. The numerical accuracy of solving equations in the coordinate space is much greater than the fundamental extensions, which yields almost precise results.

Soft X-ray spectroscopy of transition metal compounds: a theoretical perspective

NASA Astrophysics Data System (ADS)

Bokarev, S. I.; Hilal, R.; Aziz, S. G.; Kühn, O.

2017-01-01

To date, X-ray spectroscopy has become a routine tool that can reveal highly local and element-specific information on the electronic structure of atoms in complex environments. Here, we report on the development of an efficient and versatile theoretical methodology for the treatment of soft X-ray spectra of transition metal compounds based on the multi-configurational self-consistent field electronic structure theory. A special focus is put on the L-edge photon-in/photon-out and photon-in/electron-out processes, i.e. X-ray absorption, resonant inelastic scattering, partial fluorescence yield, and photoelectron spectroscopy, all treated on the same theoretical footing. The investigated systems range from small prototypical coordination compounds and catalysts to aggregates of biomolecules.

A theoretical model for the collective motion of proteins by means of principal component analysis

NASA Astrophysics Data System (ADS)

Kamberaj, Hiqmet

2011-02-01

A coarse grained model in the frame work of principal component analysis is presented. We used a bath of harmonic oscillators approach, based on classical mechanics, to derive the generalized Langevin equations of motion for the collective coordinates. The dynamics of the protein collective coordinates derived from molecular dynamics simulations have been studied for the Bovine Pancreatic Trypsin Inhibitor. We analyzed the stability of the method by studying structural fluctuations of the C a atoms obtained from a 20 ns molecular dynamics simulation. Subsequently, the dynamics of the collective coordinates of protein were characterized by calculating the dynamical friction coefficient and diffusion coefficients along with time-dependent correlation functions of collective coordinates. A dual diffusion behavior was observed with a fast relaxation time of short diffusion regime 0.2-0.4 ps and slow relaxation time of long diffusion about 1-2 ps. In addition, we observed a power law decay of dynamical friction coefficient with exponent for the first five collective coordinates varying from -0.746 to -0.938 for the real part and from -0.528 to -0.665 for its magnitude. It was found that only the first ten collective coordinates are responsible for configuration transitions occurring on time scale longer than 50 ps.

Theoretical investigation of polarization effects in solution: Importance of solvent collective motions

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

Ishida, Tateki

2015-01-22

Recent theoretical studies on interesting topics related to polarization effects in solutions are presented. As one of interesting topics, ionic liquids (ILs) solvents are focused on. The collective dynamics of electronic polarizability through interionic dynamics and the effect of polarization in ILs, 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF{sub 6}]), are studied with molecular dynamics simulation. Also, the time-dependent polarization effect on the probe betaine dye molecule, pyridinium N-phenoxide, in water is investigated by a time-dependent reference interaction site model self-consistent field (time-dependent RISM-SCF) approach. The importance of considering polarization effects on solution systems related to solvent collective motions is shown.

Comparison between collective coordinate models for domain wall motion in PMA nanostrips in the presence of the Dzyaloshinskii-Moriya interaction

NASA Astrophysics Data System (ADS)

Vandermeulen, J.; Nasseri, S. A.; Van de Wiele, B.; Durin, G.; Van Waeyenberge, B.; Dupré, L.

2018-03-01

Lagrangian-based collective coordinate models for magnetic domain wall (DW) motion rely on an ansatz for the DW profile and a Lagrangian approach to describe the DW motion in terms of a set of time-dependent collective coordinates: the DW position, the DW magnetization angle, the DW width and the DW tilting angle. Another approach was recently used to derive similar equations of motion by averaging the Landau-Lifshitz-Gilbert equation without any ansatz, and identifying the relevant collective coordinates afterwards. In this paper, we use an updated version of the semi-analytical equations to compare the Lagrangian-based collective coordinate models with micromagnetic simulations for field- and STT-driven (spin-transfer torque-driven) DW motion in Pt/CoFe/MgO and Pt/Co/AlOx nanostrips. Through this comparison, we assess the accuracy of the different models, and provide insight into the deviations of the models from simulations. It is found that the lack of terms related to DW asymmetry in the Lagrangian-based collective coordinate models significantly contributes to the discrepancy between the predictions of the most accurate Lagrangian-based model and the micromagnetic simulations in the field-driven case. This is in contrast to the STT-driven case where the DW remains symmetric.

Local Aqueous Solvation Structure Around Ca2+ During Ca2+---Cl– Pair Formation

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

Baer, Marcel D.; Mundy, Christopher J.

2016-03-03

The molecular details of single ion solvation around Ca2+ and ion-pairing of Ca2--Cl- are investigated using ab initio molecular dynamics. The use of empirical dispersion corrections to the BLYP functional are investigated by comparison to experimentally available extended X-ray absorption fine structure (EXAFS) measurements, which probes the first solvation shell in great detail. Besides finding differences in the free-energy for both ion-pairing and the coordination number of ion solvation between the quantum and classical descriptions of interaction, there were important differences found between dispersion corrected and uncorrected density functional theory (DFT). Specifically, we show significantly different free-energy landscapes for bothmore » coordination number of Ca2+ and its ion-pairing with Cl- depending on the DFT simulation protocol. Our findings produce a self-consistent treatment of short-range solvent response to the ion and the intermediate to long-range collective response of the electrostatics of the ion-ion interaction to produce a detailed picture of ion-pairing that is consistent with experiment. MDB is supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative at Pacific Northwest National Laboratory. It was conducted under the Laboratory Directed Research and Development Program at PNNL, a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. CJM acknowledges support from US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Additional computing resources were generously allocated by PNNL's Institutional Computing program. The authors thank Prof. Tom Beck for discussions regarding QCT, and Drs. Greg Schenter and Shawn Kathmann for insightful comments.« less

A computer model for the 30S ribosome subunit.

PubMed Central

Kuntz, I D; Crippen, G M

1980-01-01

We describe a computer-generated model for the locations of the 21 proteins of the 30S subunit of the E. coli ribosome. The model uses a new method of incorporating experimental measurements based on a mathematical technique called distance geometry. In this paper, we use data from two sources: immunoelectron microscopy and neutron-scattering studies. The data are generally self-consistent and lead to a set of relatively well-defined structures in which individual protein coordinates differ by approximately 20 A from one structure to another. Two important features of this calculation are the use of extended proteins rather than just the centers of mass, and the ability to confine the protein locations within an arbitrary boundary surface so that only solutions with an approximate 30S "shape" are permitted. PMID:7020786

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

Hybrid configuration mixing model for odd nuclei

NASA Astrophysics Data System (ADS)

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

2017-03-01

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

The modified semi-discrete two-dimensional Toda lattice with self-consistent sources

NASA Astrophysics Data System (ADS)

Gegenhasi

2017-07-01

In this paper, we derive the Grammian determinant solutions to the modified semi-discrete two-dimensional Toda lattice equation, and then construct the semi-discrete two-dimensional Toda lattice equation with self-consistent sources via source generation procedure. The algebraic structure of the resulting coupled modified differential-difference equation is clarified by presenting its Grammian determinant solutions and Casorati determinant solutions. As an application of the Grammian determinant and Casorati determinant solution, the explicit one-soliton and two-soliton solution of the modified semi-discrete two-dimensional Toda lattice equation with self-consistent sources are given. We also construct another form of the modified semi-discrete two-dimensional Toda lattice equation with self-consistent sources which is the Bäcklund transformation for the semi-discrete two-dimensional Toda lattice equation with self-consistent sources.

Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene.

PubMed

Yagi, Kiyoshi; Otaki, Hiroki

2014-02-28

A perturbative extension to optimized coordinate vibrational self-consistent field (oc-VSCF) is proposed based on the quasi-degenerate perturbation theory (QDPT). A scheme to construct the degenerate space (P space) is developed, which incorporates degenerate configurations and alleviates the divergence of perturbative expansion due to localized coordinates in oc-VSCF (e.g., local O-H stretching modes of water). An efficient configuration selection scheme is also implemented, which screens out the Hamiltonian matrix element between the P space configuration (p) and the complementary Q space configuration (q) based on a difference in their quantum numbers (λpq = ∑s|ps - qs|). It is demonstrated that the second-order vibrational QDPT based on optimized coordinates (oc-VQDPT2) smoothly converges with respect to the order of the mode coupling, and outperforms the conventional one based on normal coordinates. Furthermore, an improved, fast algorithm is developed for optimizing the coordinates. First, the minimization of the VSCF energy is conducted in a restricted parameter space, in which only a portion of pairs of coordinates is selectively transformed. A rational index is devised for this purpose, which identifies the important coordinate pairs to mix from others that may remain unchanged based on the magnitude of harmonic coupling induced by the transformation. Second, a cubic force field (CFF) is employed in place of a quartic force field, which bypasses intensive procedures that arise due to the presence of the fourth-order force constants. It is found that oc-VSCF based on CFF together with the pair selection scheme yields the coordinates similar in character to the conventional ones such that the final vibrational energy is affected very little while gaining an order of magnitude acceleration. The proposed method is applied to ethylene and trans-1,3-butadiene. An accurate, multi-resolution potential, which combines the MP2 and coupled-cluster with singles, doubles, and perturbative triples level of electronic structure theory, is generated and employed in the oc-VQDPT2 calculation to obtain the fundamental tones as well as selected overtones/combination tones coupled to the fundamentals through the Fermi resonance. The calculated frequencies of ethylene and trans-1,3-butadiene are found to be in excellent agreement with the experimental values with a mean absolute error of 8 and 9 cm(-1), respectively.

Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering.

PubMed

Gil-Ley, Alejandro; Bussi, Giovanni

2015-03-10

The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated in a Hamiltonian replica-exchange scheme. The ladder of replicas is built with different strengths of the bias potential exploiting the tunability of well-tempered metadynamics. Using this method, free-energy barriers of individual collective variables are significantly reduced compared with simple force-field scaling. The introduced methodology is flexible and allows adaptive bias potentials to be self-consistently constructed for a large number of simple collective variables, such as distances and dihedral angles. The method is tested on alanine dipeptide and applied to the difficult problem of conformational sampling in a tetranucleotide.

Investigation of Fluctuation-Induced Electron Transport in Hall Thrusters with a 2D Hybrid Code in the Azimuthal and Axial Coordinates

NASA Astrophysics Data System (ADS)

Fernandez, Eduardo; Borelli, Noah; Cappelli, Mark; Gascon, Nicolas

2003-10-01

Most current Hall thruster simulation efforts employ either 1D (axial), or 2D (axial and radial) codes. These descriptions crucially depend on the use of an ad-hoc perpendicular electron mobility. Several models for the mobility are typically invoked: classical, Bohm, empirically based, wall-induced, as well as combinations of the above. Experimentally, it is observed that fluctuations and electron transport depend on axial distance and operating parameters. Theoretically, linear stability analyses have predicted a number of unstable modes; yet the nonlinear character of the fluctuations and/or their contribution to electron transport remains poorly understood. Motivated by these observations, a 2D code in the azimuthal and axial coordinates has been written. In particular, the simulation self-consistently calculates the azimuthal disturbances resulting in fluctuating drifts, which in turn (if properly correlated with plasma density disturbances) result in fluctuation-driven electron transport. The characterization of the turbulence at various operating parameters and across the channel length is also the object of this study. A description of the hybrid code used in the simulation as well as the initial results will be presented.

Short-time dynamics of 2-thiouracil in the light absorbing S{sub 2}(ππ{sup ∗}) state

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

Jiang, Jie; Zhang, Teng-shuo; Xue, Jia-dan

2015-11-07

Ultrahigh quantum yields of intersystem crossing to the lowest triplet state T{sub 1} are observed for 2-thiouracils (2TU), which is in contrast to the natural uracils that predominantly exhibit ultrafast internal conversion to the ground state upon excitation to the singlet excited state. The intersystem crossing mechanism of 2TU has recently been investigated using second-order perturbation methods with a high-level complete-active space self-consistent field. Three competitive nonadiabatic pathways to the lowest triplet state T{sub 1} from the initially populated singlet excited state S{sub 2} were proposed. We investigate the initial decay dynamics of 2TU from the light absorbing excited statesmore » using resonance Raman spectroscopy, time-dependent wave-packet theory in the simple model, and complete-active space self-consistent field (CASSCF) and time dependent-Becke’s three-parameter exchange and correlation functional with the Lee-Yang-Parr correlation functional (TD-B3LYP) calculations. The obtained short-time structural dynamics in easy-to-visualize internal coordinates were compared with the CASSCF(16,11) predicted key nonadiabatic decay routes. Our results indicate that the predominant decay pathway initiated at the Franck-Condon region is toward the S{sub 2}/S{sub 1} conical intersection point and S{sub 2}T{sub 3} intersystem crossing point, but not toward the S{sub 2}T{sub 2} intersystem crossing point.« less

40 CFR 761.283 - Determination of the number of samples to collect and sample collection locations.

Code of Federal Regulations, 2011 CFR

2011-07-01

... sampling points after the recleaning, but select three new pairs of sampling coordinates. (i) Beginning in the southwest corner (lower left when facing magnetic north) of the area to be sampled, measure in... new pair of sampling coordinates. Continue to select pairs of sampling coordinates until three are...

Autonomous Multi-sensor Coordination: The Science Goal Monitor

NASA Technical Reports Server (NTRS)

Koratkar, Anuradha; Jung, John; Geiger, Jenny; Grosvenor, Sandy

2004-01-01

Next-generation science and exploration systems will employ new observation strategies that will use multiple sensors in a dynamic environment to provide high quality monitoring, self-consistent analyses and informed decision making. The Science Goal Monitor (SGM) is a prototype software tool being developed to explore the nature of automation necessary to enable dynamic observing of earth phenomenon. The tools being developed in SGM improve our ability to autonomously monitor multiple independent sensors and coordinate reactions to better observe the dynamic phenomena. The SGM system enables users to specify events of interest and how to react when an event is detected. The system monitors streams of data to identify occurrences of the key events previously specified by the scientist/user. When an event occurs, the system autonomously coordinates the execution of the users desired reactions between different sensors. The information can be used to rapidly respond to a variety of fast temporal events. Investigators will no longer have to rely on after-the-fact data analysis to determine what happened. Our paper describes a series of prototype demonstrations that we have developed using SGM and NASA's Earth Observing-1 (EO-1) satellite and Earth Observing Systems Aqua/Terra spacecrafts MODIS instrument. Our demonstrations show the promise of coordinating data from different sources, analyzing the data for a relevant event, autonomously updating and rapidly obtaining a follow-on relevant image. SGM is being used to investigate forest fires, floods and volcanic eruptions. We are now identifying new earth science scenarios that will have more complex SGM reasoning. By developing and testing a prototype in an operational environment, we are also establishing and gathering metrics to gauge the success of automating science campaigns.

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.

Collective plasma effects associated with the continuous injection model of solar flare particle streams

NASA Technical Reports Server (NTRS)

Vlahos, L.; Papadopoulos, K.

1979-01-01

A modified continuous injection model for impulsive solar flares that includes self-consistent plasma nonlinearities based on the concept of marginal stability is presented. A quasi-stationary state is established, composed of a hot truncated electron Maxwellian distribution confined by acoustic turbulence on the top of the loop and energetic electron beams precipitating in the chromosphere. It is shown that the radiation properties of the model are in accordance with observations.

Rapid construction of a whole-genome transposon insertion collection for Shewanella oneidensis by Knockout Sudoku.

PubMed

Baym, Michael; Shaket, Lev; Anzai, Isao A; Adesina, Oluwakemi; Barstow, Buz

2016-11-10

Whole-genome knockout collections are invaluable for connecting gene sequence to function, yet traditionally, their construction has required an extraordinary technical effort. Here we report a method for the construction and purification of a curated whole-genome collection of single-gene transposon disruption mutants termed Knockout Sudoku. Using simple combinatorial pooling, a highly oversampled collection of mutants is condensed into a next-generation sequencing library in a single day, a 30- to 100-fold improvement over prior methods. The identities of the mutants in the collection are then solved by a probabilistic algorithm that uses internal self-consistency within the sequencing data set, followed by rapid algorithmically guided condensation to a minimal representative set of mutants, validation, and curation. Starting from a progenitor collection of 39,918 mutants, we compile a quality-controlled knockout collection of the electroactive microbe Shewanella oneidensis MR-1 containing representatives for 3,667 genes that is functionally validated by high-throughput kinetic measurements of quinone reduction.

Quantum motion on a torus as a submanifold problem in a generalized Dirac's theory of second-class constraints

NASA Astrophysics Data System (ADS)

Xun, D. M.; Liu, Q. H.; Zhu, X. M.

2013-11-01

A generalization of Dirac's canonical quantization scheme for a system with second-class constraints is proposed, in which the fundamental commutation relations are constituted by all commutators between positions, momenta and Hamiltonian, so they are simultaneously quantized in a self-consistent manner, rather than by those between merely positions and momenta which leads to ambiguous forms of the Hamiltonian and the momenta. The application of the generalized scheme to the quantum motion on a torus leads to a remarkable result: the quantum theory is inconsistent if built up in an intrinsic geometric manner, whereas it becomes consistent within an extrinsic examination of the torus as a submanifold in three dimensional flat space with the use of the Cartesian coordinate system. The geometric momentum and potential are then reasonably reproduced.

Progress with the COGENT Edge Kinetic Code: Collision operator options

DOE PAGES

Dorf, M. A.; Cohen, R. H.; Compton, J. C.; ...

2012-06-27

In this study, COGENT is a continuum gyrokinetic code for edge plasmas being developed by the Edge Simulation Laboratory collaboration. The code is distinguished by application of the fourth order conservative discretization, and mapped multiblock grid technology to handle the geometric complexity of the tokamak edge. It is written in v∥-μ (parallel velocity – magnetic moment) velocity coordinates, and making use of the gyrokinetic Poisson equation for the calculation of a self-consistent electric potential. In the present manuscript we report on the implementation and initial testing of a succession of increasingly detailed collision operator options, including a simple drag-diffusion operatormore » in the parallel velocity space, Lorentz collisions, and a linearized model Fokker-Planck collision operator conserving momentum and energy (© 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)« less

Functionally relevant protein motions: Extracting basin-specific collective coordinates from molecular dynamics trajectories

NASA Astrophysics Data System (ADS)

Pan, Patricia Wang; Dickson, Russell J.; Gordon, Heather L.; Rothstein, Stuart M.; Tanaka, Shigenori

2005-01-01

Functionally relevant motion of proteins has been associated with a number of atoms moving in a concerted fashion along so-called "collective coordinates." We present an approach to extract collective coordinates from conformations obtained from molecular dynamics simulations. The power of this technique for differentiating local structural fuctuations between classes of conformers obtained by clustering is illustrated by analyzing nanosecond-long trajectories for the response regulator protein Spo0F of Bacillus subtilis, generated both in vacuo and using an implicit-solvent representation. Conformational clustering is performed using automated histogram filtering of the inter-Cα distances. Orthogonal (varimax) rotation of the vectors obtained by principal component analysis of these interresidue distances for the members of individual clusters is key to the interpretation of collective coordinates dominating each conformational class. The rotated loadings plots isolate significant variation in interresidue distances, and these are associated with entire mobile secondary structure elements. From this we infer concerted motions of these structural elements. For the Spo0F simulations employing an implicit-solvent representation, collective coordinates obtained in this fashion are consistent with the location of the protein's known active sites and experimentally determined mobile regions.

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.

Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering

PubMed Central

2015-01-01

The computational study of conformational transitions in RNA and proteins with atomistic molecular dynamics often requires suitable enhanced sampling techniques. We here introduce a novel method where concurrent metadynamics are integrated in a Hamiltonian replica-exchange scheme. The ladder of replicas is built with different strengths of the bias potential exploiting the tunability of well-tempered metadynamics. Using this method, free-energy barriers of individual collective variables are significantly reduced compared with simple force-field scaling. The introduced methodology is flexible and allows adaptive bias potentials to be self-consistently constructed for a large number of simple collective variables, such as distances and dihedral angles. The method is tested on alanine dipeptide and applied to the difficult problem of conformational sampling in a tetranucleotide. PMID:25838811

Transition to collective oscillations in finite Kuramoto ensembles

NASA Astrophysics Data System (ADS)

Peter, Franziska; Pikovsky, Arkady

2018-03-01

We present an alternative approach to finite-size effects around the synchronization transition in the standard Kuramoto model. Our main focus lies on the conditions under which a collective oscillatory mode is well defined. For this purpose, the minimal value of the amplitude of the complex Kuramoto order parameter appears as a proper indicator. The dependence of this minimum on coupling strength varies due to sampling variations and correlates with the sample kurtosis of the natural frequency distribution. The skewness of the frequency sample determines the frequency of the resulting collective mode. The effects of kurtosis and skewness hold in the thermodynamic limit of infinite ensembles. We prove this by integrating a self-consistency equation for the complex Kuramoto order parameter for two families of distributions with controlled kurtosis and skewness, respectively.

28 CFR 812.3 - Coordination with the Federal Bureau of Prisons.

Code of Federal Regulations, 2010 CFR

2010-07-01

... THE DISTRICT OF COLUMBIA COLLECTION AND USE OF DNA INFORMATION § 812.3 Coordination with the Federal... documentation regarding the collection of a DNA sample when the Federal Bureau of Prisons releases an inmate to... documentation regarding the collection of a DNA sample from a District of Columbia Code offender when CSOSA...

28 CFR 812.3 - Coordination with the Federal Bureau of Prisons.

Code of Federal Regulations, 2011 CFR

2011-07-01

... THE DISTRICT OF COLUMBIA COLLECTION AND USE OF DNA INFORMATION § 812.3 Coordination with the Federal... documentation regarding the collection of a DNA sample when the Federal Bureau of Prisons releases an inmate to... documentation regarding the collection of a DNA sample from a District of Columbia Code offender when CSOSA...

28 CFR 812.3 - Coordination with the Federal Bureau of Prisons.

Code of Federal Regulations, 2012 CFR

2012-07-01

... THE DISTRICT OF COLUMBIA COLLECTION AND USE OF DNA INFORMATION § 812.3 Coordination with the Federal... documentation regarding the collection of a DNA sample when the Federal Bureau of Prisons releases an inmate to... documentation regarding the collection of a DNA sample from a District of Columbia Code offender when CSOSA...

28 CFR 812.3 - Coordination with the Federal Bureau of Prisons.

Code of Federal Regulations, 2014 CFR

2014-07-01

... THE DISTRICT OF COLUMBIA COLLECTION AND USE OF DNA INFORMATION § 812.3 Coordination with the Federal... documentation regarding the collection of a DNA sample when the Federal Bureau of Prisons releases an inmate to... documentation regarding the collection of a DNA sample from a District of Columbia Code offender when CSOSA...

28 CFR 812.3 - Coordination with the Federal Bureau of Prisons.

Code of Federal Regulations, 2013 CFR

2013-07-01

... THE DISTRICT OF COLUMBIA COLLECTION AND USE OF DNA INFORMATION § 812.3 Coordination with the Federal... documentation regarding the collection of a DNA sample when the Federal Bureau of Prisons releases an inmate to... documentation regarding the collection of a DNA sample from a District of Columbia Code offender when CSOSA...

Assessing the performance of self-consistent hybrid functional for band gap calculation in oxide semiconductors

NASA Astrophysics Data System (ADS)

He, Jiangang; Franchini, Cesare

2017-11-01

In this paper we assess the predictive power of the self-consistent hybrid functional scPBE0 in calculating the band gap of oxide semiconductors. The computational procedure is based on the self-consistent evaluation of the mixing parameter α by means of an iterative calculation of the static dielectric constant using the perturbation expansion after discretization method and making use of the relation \

Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: Exactly solvable two-site Hubbard model

DOE PAGES

Kutepov, A. L.

2015-07-22

Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ₁ from the first-order perturbation theory, and the exact vertex Γ E). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. Results obtained with the exact vertex are directly related to the present open question—which approximation is more advantageous for future implementations, GW + DMFT or QPGW +more » DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on Perturbation Theory systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.« less

An overview of self-consistent methods for fiber-reinforced composites

NASA Technical Reports Server (NTRS)

Gramoll, Kurt C.; Freed, Alan D.; Walker, Kevin P.

1991-01-01

The Walker et al. (1989) self-consistent method to predict both the elastic and the inelastic effective material properties of composites is examined and compared with the results of other self-consistent and elastically based solutions. The elastic part of their method is shown to be identical to other self-consistent methods for non-dilute reinforced composite materials; they are the Hill (1965), Budiansky (1965), and Nemat-Nasser et al. (1982) derivations. A simplified form of the non-dilute self-consistent method is also derived. The predicted, elastic, effective material properties for fiber reinforced material using the Walker method was found to deviate from the elasticity solution for the v sub 31, K sub 12, and mu sub 31 material properties (fiber is in the 3 direction) especially at the larger volume fractions. Also, the prediction for the transverse shear modulus, mu sub 12, exceeds one of the accepted Hashin bounds. Only the longitudinal elastic modulus E sub 33 agrees with the elasticity solution. The differences between the Walker and the elasticity solutions are primarily due to the assumption used in the derivation of the self-consistent method, i.e., the strain fields in the inclusions and the matrix are assumed to remain constant, which is not a correct assumption for a high concentration of inclusions.

Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: exactly solvable two-site Hubbard model.

PubMed

Kutepov, A L

2015-08-12

Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ1 from the first-order perturbation theory, and the exact vertex Γ(E)). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. The results obtained with the exact vertex are directly related to the present open question-which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on perturbation theory (PT) systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.

Self-consistent adjoint analysis for topology optimization of electromagnetic waves

NASA Astrophysics Data System (ADS)

Deng, Yongbo; Korvink, Jan G.

2018-05-01

In topology optimization of electromagnetic waves, the Gâteaux differentiability of the conjugate operator to the complex field variable results in the complexity of the adjoint sensitivity, which evolves the original real-valued design variable to be complex during the iterative solution procedure. Therefore, the self-inconsistency of the adjoint sensitivity is presented. To enforce the self-consistency, the real part operator has been used to extract the real part of the sensitivity to keep the real-value property of the design variable. However, this enforced self-consistency can cause the problem that the derived structural topology has unreasonable dependence on the phase of the incident wave. To solve this problem, this article focuses on the self-consistent adjoint analysis of the topology optimization problems for electromagnetic waves. This self-consistent adjoint analysis is implemented by splitting the complex variables of the wave equations into the corresponding real parts and imaginary parts, sequentially substituting the split complex variables into the wave equations with deriving the coupled equations equivalent to the original wave equations, where the infinite free space is truncated by the perfectly matched layers. Then, the topology optimization problems of electromagnetic waves are transformed into the forms defined on real functional spaces instead of complex functional spaces; the adjoint analysis of the topology optimization problems is implemented on real functional spaces with removing the variational of the conjugate operator; the self-consistent adjoint sensitivity is derived, and the phase-dependence problem is avoided for the derived structural topology. Several numerical examples are implemented to demonstrate the robustness of the derived self-consistent adjoint analysis.

Internal friction and dislocation collective pinning in disordered quenched solid solutions

NASA Astrophysics Data System (ADS)

D'Anna, G.; Benoit, W.; Vinokur, V. M.

1997-12-01

We introduce the collective pinning of dislocations in disordered quenched solid solutions and calculate the macroscopic mechanical response to a small dc or ac applied stress. This work is a generalization of the Granato-Lücke string model, able to describe self-consistently short and long range dislocation motion. Under dc applied stress the long distance dislocation creep has at the microscopic level avalanche features, which result in a macroscopic nonlinear "glassy" velocity-stress characteristic. Under ac conditions the model predicts, in addition to the anelastic internal friction relaxation in the high frequency regime, a linear internal friction background which remains amplitude-independent down to a crossover frequency to a strongly nonlinear internal friction regime.

Thomson Parabola Spectrometer: a powerful tool for on-line plasma analysis

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

Altana, C.; Muoio, A.; Schillaci, F.

2015-07-01

In this paper we report on a new powerful and self-consistent analysis technique aimed in order to get information online on laser generated plasmas. Performance of the method has been carried out during two set of measurement by using two different lasers. The first set of data has been collected at LENS Laboratory of INFN-LNS in Catania by using a laser which produces pulses having energies of 2 J and temporal duration of 6 ns, while the second set of data has been collected at ILIL of INO-CNR in Pisa with a laser system capable of delivering pulses of upmore » to 10 mJ in 40 fs. (authors)« less

On the possibility of collective attraction in complex plasmas

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

Chaudhuri, M.; Morfill, G. E.; Kompaneets, R.

2010-06-15

An investigation on the possible collective electric attraction between like-charged dust particles has been performed in an isotropic homogeneous complex (dusty) plasma in which a balance between plasma creation due to ionization and plasma loss due to the absorption on dust particles has been reached. The analysis is made on the basis of a self-consistent fluid model, which includes plasma ionization, plasma loss on dust particles, dust charge variations, and ion-neutral friction. It is shown that the interaction potential can have an attractive part in the stability regime of the ionization-absorption balance with respect to ion perturbations only under verymore » limited circumstances.« less

Fission properties of superheavy nuclei for r -process calculations

NASA Astrophysics Data System (ADS)

Giuliani, Samuel A.; Martínez-Pinedo, Gabriel; Robledo, Luis M.

2018-03-01

We computed a new set of static fission properties suited for r -process calculations. The potential energy surfaces and collective inertias of 3640 nuclei in the superheavy region are obtained from self-consistent mean-field calculations using the Barcelona-Catania-Paris-Madrid energy density functional. The fission path is computed as a function of the quadrupole moment by minimizing the potential energy and exploring octupole and hexadecapole deformations. The spontaneous fission lifetimes are evaluated employing different schemes for the collective inertias and vibrational energy corrections. This allows us to explore the sensitivity of the lifetimes to those quantities together with the collective ground-state energy along the superheavy landscape. We computed neutron-induced stellar reaction rates relevant for r -process nucleosynthesis using the Hauser-Feshbach statistical approach and study the impact of collective inertias. The competition between different reaction channels including neutron-induced rates, spontaneous fission, and α decay is discussed for typical r -process conditions.

Vibrational quasi-degenerate perturbation theory with optimized coordinates: Applications to ethylene and trans-1,3-butadiene

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

Yagi, Kiyoshi, E-mail: kiyoshi.yagi@riken.jp; Otaki, Hiroki

A perturbative extension to optimized coordinate vibrational self-consistent field (oc-VSCF) is proposed based on the quasi-degenerate perturbation theory (QDPT). A scheme to construct the degenerate space (P space) is developed, which incorporates degenerate configurations and alleviates the divergence of perturbative expansion due to localized coordinates in oc-VSCF (e.g., local O–H stretching modes of water). An efficient configuration selection scheme is also implemented, which screens out the Hamiltonian matrix element between the P space configuration (p) and the complementary Q space configuration (q) based on a difference in their quantum numbers (λ{sub pq} = ∑{sub s}|p{sub s} − q{sub s}|). Itmore » is demonstrated that the second-order vibrational QDPT based on optimized coordinates (oc-VQDPT2) smoothly converges with respect to the order of the mode coupling, and outperforms the conventional one based on normal coordinates. Furthermore, an improved, fast algorithm is developed for optimizing the coordinates. First, the minimization of the VSCF energy is conducted in a restricted parameter space, in which only a portion of pairs of coordinates is selectively transformed. A rational index is devised for this purpose, which identifies the important coordinate pairs to mix from others that may remain unchanged based on the magnitude of harmonic coupling induced by the transformation. Second, a cubic force field (CFF) is employed in place of a quartic force field, which bypasses intensive procedures that arise due to the presence of the fourth-order force constants. It is found that oc-VSCF based on CFF together with the pair selection scheme yields the coordinates similar in character to the conventional ones such that the final vibrational energy is affected very little while gaining an order of magnitude acceleration. The proposed method is applied to ethylene and trans-1,3-butadiene. An accurate, multi-resolution potential, which combines the MP2 and coupled-cluster with singles, doubles, and perturbative triples level of electronic structure theory, is generated and employed in the oc-VQDPT2 calculation to obtain the fundamental tones as well as selected overtones/combination tones coupled to the fundamentals through the Fermi resonance. The calculated frequencies of ethylene and trans-1,3-butadiene are found to be in excellent agreement with the experimental values with a mean absolute error of 8 and 9 cm{sup −1}, respectively.« less

A self-learning algorithm for biased molecular dynamics

PubMed Central

Tribello, Gareth A.; Ceriotti, Michele; Parrinello, Michele

2010-01-01

A new self-learning algorithm for accelerated dynamics, reconnaissance metadynamics, is proposed that is able to work with a very large number of collective coordinates. Acceleration of the dynamics is achieved by constructing a bias potential in terms of a patchwork of one-dimensional, locally valid collective coordinates. These collective coordinates are obtained from trajectory analyses so that they adapt to any new features encountered during the simulation. We show how this methodology can be used to enhance sampling in real chemical systems citing examples both from the physics of clusters and from the biological sciences. PMID:20876135

The KP hierarchy with self-consistent sources: construction, Wronskian solutions and bilinear identities

NASA Astrophysics Data System (ADS)

Lin, Runliang; Liu, Xiaojun; Zeng, Yunbo

2014-10-01

In this paper, we will present some of our results on the soliton hierarchy with self-consistent sources (SHSCSs). The Kadomtsev-Petviashvili (KP) hierarchy will be used as an illustrative example to show the method to construct the SHSCSs. Some properties of the KP hierarchy with self-consistent sources will also be given, such as the dressing approach, the Wronskian solutions (including soliton solutions), its bilinear identities and the tau function.

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

Doubly self-consistent field theory of grafted polymers under simple shear in steady state.

PubMed

Suo, Tongchuan; Whitmore, Mark D

2014-03-21

We present a generalization of the numerical self-consistent mean-field theory of polymers to the case of grafted polymers under simple shear. The general theoretical framework is presented, and then applied to three different chain models: rods, Gaussian chains, and finitely extensible nonlinear elastic (FENE) chains. The approach is self-consistent at two levels. First, for any flow field, the polymer density profile and effective potential are calculated self-consistently in a manner similar to the usual self-consistent field theory of polymers, except that the calculation is inherently two-dimensional even for a laterally homogeneous system. Second, through the use of a modified Brinkman equation, the flow field and the polymer profile are made self-consistent with respect to each other. For all chain models, we find that reasonable levels of shear cause the chains to tilt, but it has very little effect on the overall thickness of the polymer layer, causing a small decrease for rods, and an increase of no more than a few percent for the Gaussian and FENE chains. Using the FENE model, we also probe the individual bond lengths, bond correlations, and bond angles along the chains, the effects of the shear on them, and the solvent and bonded stress profiles. We find that the approximations needed within the theory for the Brinkman equation affect the bonded stress, but none of the other quantities.

A paradigm shift toward a consistent modeling framework to assess climate impacts

NASA Astrophysics Data System (ADS)

Monier, E.; Paltsev, S.; Sokolov, A. P.; Fant, C.; Chen, H.; Gao, X.; Schlosser, C. A.; Scott, J. R.; Dutkiewicz, S.; Ejaz, Q.; Couzo, E. A.; Prinn, R. G.; Haigh, M.

2017-12-01

Estimates of physical and economic impacts of future climate change are subject to substantial challenges. To enrich the currently popular approaches of assessing climate impacts by evaluating a damage function or by multi-model comparisons based on the Representative Concentration Pathways (RCPs), we focus here on integrating impacts into a self-consistent coupled human and Earth system modeling framework that includes modules that represent multiple physical impacts. In a sample application we show that this framework is capable of investigating the physical impacts of climate change and socio-economic stressors. The projected climate impacts vary dramatically across the globe in a set of scenarios with global mean warming ranging between 2.4°C and 3.6°C above pre-industrial by 2100. Unabated emissions lead to substantial sea level rise, acidification that impacts the base of the oceanic food chain, air pollution that exceeds health standards by tenfold, water stress that impacts an additional 1 to 2 billion people globally and agricultural productivity that decreases substantially in many parts of the world. We compare the outcomes from these forward-looking scenarios against the common goal described by the target-driven scenario of 2°C, which results in much smaller impacts. It is challenging for large internationally coordinated exercises to respond quickly to new policy targets. We propose that a paradigm shift toward a self-consistent modeling framework to assess climate impacts is needed to produce information relevant to evolving global climate policy and mitigation strategies in a timely way.

Performance and Self-Consistency of the Generalized Dielectric Dependent Hybrid Functional

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

Brawand, Nicholas P.; Govoni, Marco; Vörös, Márton

Here, we analyze the performance of the recently proposed screened exchange constant functional (SX) on the GW100 test set, and we discuss results obtained at different levels of self-consistency. The SX functional is a generalization of dielectric dependent hybrid functionals to finite systems; it is nonempirical and depends on the average screening of the exchange interaction. We compare results for ionization potentials obtained with SX to those of CCSD(T) calculations and experiments, and we find excellent agreement, on par with recent state of the art methods based on many body perturbation theory. Applying SX perturbatively to correct PBE eigenvalues yieldsmore » improved results in most cases, except for ionic molecules, for which wave function self-consistency is instead crucial. Calculations where wave functions and the screened exchange constant (α SX) are determined self-consistently, and those where α SX is fixed to the value determined within PBE, yield results of comparable accuracy. Perturbative G 0W 0 corrections of eigenvalues obtained with self-consistent αSX are small on average, for all molecules in the GW100 test set.« less

Branch-Based Model for the Diameters of the Pulmonary Airways: Accounting for Departures From Self-Consistency and Registration Errors

PubMed Central

Neradilek, Moni B.; Polissar, Nayak L.; Einstein, Daniel R.; Glenny, Robb W.; Minard, Kevin R.; Carson, James P.; Jiao, Xiangmin; Jacob, Richard E.; Cox, Timothy C.; Postlethwait, Edward M.; Corley, Richard A.

2017-01-01

We examine a previously published branch-based approach for modeling airway diameters that is predicated on the assumption of self-consistency across all levels of the tree. We mathematically formulate this assumption, propose a method to test it and develop a more general model to be used when the assumption is violated. We discuss the effect of measurement error on the estimated models and propose methods that take account of error. The methods are illustrated on data from MRI and CT images of silicone casts of two rats, two normal monkeys, and one ozone-exposed monkey. Our results showed substantial departures from self-consistency in all five subjects. When departures from self-consistency exist, we do not recommend using the self-consistency model, even as an approximation, as we have shown that it may likely lead to an incorrect representation of the diameter geometry. The new variance model can be used instead. Measurement error has an important impact on the estimated morphometry models and needs to be addressed in the analysis. PMID:22528468

Performance and Self-Consistency of the Generalized Dielectric Dependent Hybrid Functional

DOE PAGES

Brawand, Nicholas P.; Govoni, Marco; Vörös, Márton; ...

2017-05-24

Here, we analyze the performance of the recently proposed screened exchange constant functional (SX) on the GW100 test set, and we discuss results obtained at different levels of self-consistency. The SX functional is a generalization of dielectric dependent hybrid functionals to finite systems; it is nonempirical and depends on the average screening of the exchange interaction. We compare results for ionization potentials obtained with SX to those of CCSD(T) calculations and experiments, and we find excellent agreement, on par with recent state of the art methods based on many body perturbation theory. Applying SX perturbatively to correct PBE eigenvalues yieldsmore » improved results in most cases, except for ionic molecules, for which wave function self-consistency is instead crucial. Calculations where wave functions and the screened exchange constant (α SX) are determined self-consistently, and those where α SX is fixed to the value determined within PBE, yield results of comparable accuracy. Perturbative G 0W 0 corrections of eigenvalues obtained with self-consistent αSX are small on average, for all molecules in the GW100 test set.« less

Branch-Based Model for the Diameters of the Pulmonary Airways: Accounting for Departures From Self-Consistency and Registration Errors

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

Neradilek, Moni B.; Polissar, Nayak L.; Einstein, Daniel R.

2012-04-24

We examine a previously published branch-based approach to modeling airway diameters that is predicated on the assumption of self-consistency across all levels of the tree. We mathematically formulate this assumption, propose a method to test it and develop a more general model to be used when the assumption is violated. We discuss the effect of measurement error on the estimated models and propose methods that account for it. The methods are illustrated on data from MRI and CT images of silicone casts of two rats, two normal monkeys and one ozone-exposed monkey. Our results showed substantial departures from self-consistency inmore » all five subjects. When departures from selfconsistency exist we do not recommend using the self-consistency model, even as an approximation, as we have shown that it may likely lead to an incorrect representation of the diameter geometry. Measurement error has an important impact on the estimated morphometry models and needs to be accounted for in the analysis.« less

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.

Vibrational multiconfiguration self-consistent field theory: implementation and test calculations.

PubMed

Heislbetz, Sandra; Rauhut, Guntram

2010-03-28

A state-specific vibrational multiconfiguration self-consistent field (VMCSCF) approach based on a multimode expansion of the potential energy surface is presented for the accurate calculation of anharmonic vibrational spectra. As a special case of this general approach vibrational complete active space self-consistent field calculations will be discussed. The latter method shows better convergence than the general VMCSCF approach and must be considered the preferred choice within the multiconfigurational framework. Benchmark calculations are provided for a small set of test molecules.

Magnetohydrodynamics of atmospheric transients. IV - Nonplane two-dimensional analyses of energy conversion and magnetic field evolution. [during corona following solar flare

NASA Technical Reports Server (NTRS)

Wu, S. T.; Nakagawa, Y.; Han, S. M.; Dryer, M.

1982-01-01

The evolution of the magnetic field and the manner of conversion of thermal energy into different forms in the corona following a solar flare are investigated by means of a nonplane magnetohydrodynamic (MHD) analysis. All three components of magnetic field and velocity are treated in a physically self-consistent manner, with all physical variables as functions of time (t) and two spatial coordinates (r, theta). The difference arising from the initial magnetic field, either twisted (force-free) or non-twisted (potential), is demonstrated. Consideration is given to two initial field topologies (open vs. closed). The results demonstrate that the conversion of magnetic energy is faster for the case of the initially twisted (force-free) field than for the initially untwisted (potential) field. In addition, the twisted field is found to produce a complex structure of the density enhancements.

Theoretical investigation of the electron capture and loss processes in the collisions of He2+ + Ne.

PubMed

Hong, Xuhai; Wang, Feng; Jiao, Yalong; Su, Wenyong; Wang, Jianguo; Gou, Bingcong

2013-08-28

Based on the time-dependent density functional theory, a method is developed to study ion-atom collision dynamics, which self-consistently couples the quantum mechanical description of electron dynamics with the classical treatment of the ion motion. Employing real-time and real-space method, the coordinate space translation technique is introduced to allow one to focus on the region of target or projectile depending on the actual concerned process. The benchmark calculations are performed for the collisions of He(2+) + Ne, and the time evolution of electron density distribution is monitored, which provides interesting details of the interaction dynamics between the electrons and ion cores. The cross sections of single and many electron capture and loss have been calculated in the energy range of 1-1000 keV/amu, and the results show a good agreement with the available experiments over a wide range of impact energies.

Spatial correlations in driven-dissipative photonic lattices

NASA Astrophysics Data System (ADS)

Biondi, Matteo; Lienhard, Saskia; Blatter, Gianni; Türeci, Hakan E.; Schmidt, Sebastian

2017-12-01

We study the nonequilibrium steady-state of interacting photons in cavity arrays as described by the driven-dissipative Bose–Hubbard and spin-1/2 XY model. For this purpose, we develop a self-consistent expansion in the inverse coordination number of the array (∼ 1/z) to solve the Lindblad master equation of these systems beyond the mean-field approximation. Our formalism is compared and benchmarked with exact numerical methods for small systems based on an exact diagonalization of the Liouvillian and a recently developed corner-space renormalization technique. We then apply this method to obtain insights beyond mean-field in two particular settings: (i) we show that the gas–liquid transition in the driven-dissipative Bose–Hubbard model is characterized by large density fluctuations and bunched photon statistics. (ii) We study the antibunching–bunching transition of the nearest-neighbor correlator in the driven-dissipative spin-1/2 XY model and provide a simple explanation of this phenomenon.

A new efficient method for calculation of Frenkel exciton parameters in molecular aggregates

NASA Astrophysics Data System (ADS)

Plötz, Per-Arno; Niehaus, Thomas; Kühn, Oliver

2014-05-01

The Frenkel exciton Hamiltonian is at the heart of many simulations of excitation energy transfer in molecular aggregates. It separates the aggregate into Coulomb-coupled monomers. Here it is shown that the respective parameters, i.e., monomeric excitation energies and Coulomb couplings between transition densities can be efficiently calculated using time-dependent tight-binding-based density functional theory (TD-DFTB). Specifically, Coulomb couplings are expressed in terms of self-consistently determined Mulliken transition charges. The approach is applied to two dimer systems. First, formaldehyde oxime for which a detailed comparison with standard DFT using the B3LYP and the PBE functionals as well as with SCS-CC2 is provided. Second, the Coulomb coupling is explored in dependence on the intermolecular coordinates for a perylene bisimide dimer. This provides structural evidence for the previously observed biphasic aggregation behavior of this dye.

Ab-initio atomic level stress and role of d-orbitals in CuZr, CuZn and CuY

NASA Astrophysics Data System (ADS)

Ojha, Madhusudan; Nicholson, Don M.; Egami, Takeshi

2015-03-01

Atomic level stress offers a new tool to characterize materials within the local approximation to density functional theory (DFT). Ab-initio atomic level stresses in B2 structures of CuZr, CuZn and CuY are calculated and results are explained on the basis of d-orbital contributions to Density of States (DOS). The overlap of d-orbital DOS plays an important role in the relative magnitude of atomic level stresses in these structures. The trends in atomic level stresses that we observed in these simple B2 structures are also seen in complex structures such as liquids, glasses and solid solutions. The stresses are however modified by the different coordination and relaxed separation distances in these complex structures. We used the Locally Self-Consistent Multiple Scattering (LSMS) code and Vienna Ab-initio Simulation Package (VASP) for ab-initio calculations.

Collective coordinates theory for discrete soliton ratchets in the sine-Gordon model

NASA Astrophysics Data System (ADS)

Sánchez-Rey, Bernardo; Quintero, Niurka R.; Cuevas-Maraver, Jesús; Alejo, Miguel A.

2014-10-01

A collective coordinate theory is developed for soliton ratchets in the damped discrete sine-Gordon model driven by a biharmonic force. An ansatz with two collective coordinates, namely the center and the width of the soliton, is assumed as an approximated solution of the discrete nonlinear equation. The dynamical equations of these two collective coordinates, obtained by means of the generalized travelling wave method, explain the mechanism underlying the soliton ratchet and capture qualitatively all the main features of this phenomenon. The numerical simulation of these equations accounts for the existence of a nonzero depinning threshold, the nonsinusoidal behavior of the average velocity as a function of the relative phase between the harmonics of the driver, the nonmonotonic dependence of the average velocity on the damping, and the existence of nontransporting regimes beyond the depinning threshold. In particular, it provides a good description of the intriguing and complex pattern of subspaces corresponding to different dynamical regimes in parameter space.

Collective coordinates theory for discrete soliton ratchets in the sine-Gordon model.

PubMed

Sánchez-Rey, Bernardo; Quintero, Niurka R; Cuevas-Maraver, Jesús; Alejo, Miguel A

2014-10-01

A collective coordinate theory is developed for soliton ratchets in the damped discrete sine-Gordon model driven by a biharmonic force. An ansatz with two collective coordinates, namely the center and the width of the soliton, is assumed as an approximated solution of the discrete nonlinear equation. The dynamical equations of these two collective coordinates, obtained by means of the generalized travelling wave method, explain the mechanism underlying the soliton ratchet and capture qualitatively all the main features of this phenomenon. The numerical simulation of these equations accounts for the existence of a nonzero depinning threshold, the nonsinusoidal behavior of the average velocity as a function of the relative phase between the harmonics of the driver, the nonmonotonic dependence of the average velocity on the damping, and the existence of nontransporting regimes beyond the depinning threshold. In particular, it provides a good description of the intriguing and complex pattern of subspaces corresponding to different dynamical regimes in parameter space.

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2010-01-01

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Collective coordinates and constrained hamiltonian systems

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

Dayi, O.F.

1992-07-01

A general method of incorporating collective coordinates (transformation of fields into an overcomplete basis) with constrained hamiltonian systems is given where the original phase space variables and collective coordinates can be bosonic or/and fermionic. This method is illustrated by applying it to the SU(2) Yang-Mills-Higgs theory and its BFV-BRST quantization is discussed. Moreover, this formalism is used to give a systematic way of converting second class constraints into effectively first class ones, by considering second class constraints as first class constraints and gauge fixing conditions. This approach is applied to the massive superparticle. Proca lagrangian, and some topological quantum fieldmore » theories.« less

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Self-consistent electrostatic potential due to trapped plasma in the magnetosphere

NASA Technical Reports Server (NTRS)

Miller, Ronald H.; Khazanov, George V.

1993-01-01

A steady state solution for the self-consistent electrostatic potential due to a plasma confined in a magnetic flux tube is considered. A steady state distribution function is constructed for the trapped particles from the constants of the motion, in the absence of waves and collisions. Using Liouville's theorem, the particle density along the geomagnetic field is determined and found to depend on the local magnetic field, self-consistent electric potential, and the equatorial plasma distribution function. A hot anisotropic magnetospheric plasma in steady state is modeled by a bi-Maxwellian at the equator. The self-consistent electric potential along the magnetic field is calculated assuming quasineutrality, and the potential drop is found to be approximately equal to the average kinetic energy of the equatorially trapped plasma. The potential is compared with that obtained by Alfven and Faelthammar (1963).

Doubly self-consistent field theory of grafted polymers under simple shear in steady state

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

Suo, Tongchuan; Whitmore, Mark D., E-mail: mark-whitmore@umanitoba.ca

2014-03-21

We present a generalization of the numerical self-consistent mean-field theory of polymers to the case of grafted polymers under simple shear. The general theoretical framework is presented, and then applied to three different chain models: rods, Gaussian chains, and finitely extensible nonlinear elastic (FENE) chains. The approach is self-consistent at two levels. First, for any flow field, the polymer density profile and effective potential are calculated self-consistently in a manner similar to the usual self-consistent field theory of polymers, except that the calculation is inherently two-dimensional even for a laterally homogeneous system. Second, through the use of a modified Brinkmanmore » equation, the flow field and the polymer profile are made self-consistent with respect to each other. For all chain models, we find that reasonable levels of shear cause the chains to tilt, but it has very little effect on the overall thickness of the polymer layer, causing a small decrease for rods, and an increase of no more than a few percent for the Gaussian and FENE chains. Using the FENE model, we also probe the individual bond lengths, bond correlations, and bond angles along the chains, the effects of the shear on them, and the solvent and bonded stress profiles. We find that the approximations needed within the theory for the Brinkman equation affect the bonded stress, but none of the other quantities.« 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

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2010-10-01

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Pickett angles and Cremer-Pople coordinates as collective variables for the enhanced sampling of six-membered ring conformations

NASA Astrophysics Data System (ADS)

Sega, M.; Autieri, E.; Pederiva, F.

2011-01-01

Although completely equivalent for the description of puckered ring conformers, the two popular coordinates sets of Strauss-Pickett dihedral angles and Cremer-Pople spherical coordinates are shown to have contrasting features when employed as collective variables in free-energy calculations with accelerated sampling techniques. Results from a 100 ns molecular dynamics simulation at conformational equilibrium and from combined metadynamics/umbrella sampling calculations of glucose are exploited to elucidate these differences.

Self-consistent study of local and nonlocal magnetoresistance in a YIG/Pt bilayer

NASA Astrophysics Data System (ADS)

Wang, Xi-guang; Zhou, Zhen-wei; Nie, Yao-zhuang; Xia, Qing-lin; Guo, Guang-hua

2018-03-01

We present a self-consistent study of the local spin Hall magnetoresistance (SMR) and nonlocal magnon-mediated magnetoresistance (MMR) in a heavy-metal/magnetic-insulator heterostructure at finite temperature. We find that the thermal fluctuation of magnetization significantly affects the SMR. It appears unidirectional with respect to the direction of electrical current (or magnetization). The unidirectionality of SMR originates from the asymmetry of creation or annihilation of thermal magnons induced by the spin Hall torque. Also, a self-consistent model can well describe the features of MMR.

Evaluation of a collective kitchens program: using the Population Health Promotion Model.

PubMed

Fano, Tara J; Tyminski, Sheila M; Flynn, Mary A T

2004-01-01

To evaluate the impact of the Calgary Health Region Collective Kitchen Program on various Population Health Promotion Model health determinants, data were collected through mail-in questionnaires that examined the members' (n=331) and coordinators' (n=58) perspectives of the program. Seventy-nine members (24%) and 26 coordinators (45%) were included in the study. Three incomplete questionnaires (from prenatal program members) were discarded. Sixty-one percent of members who reported income level and family size (n=61) had incomes below the low-income cut-off. Fifty-eight members (73%) reported improvements in their lives because of the program. Sixty-four members (81%) perceived they learned to feed their families healthier foods. The members reported their fruit and vegetable consumption before and since joining a collective kitchen, and the proportion of those consuming at least five fruit and vegetable servings a day rose from 29% to 47%. The most common reasons for joining this program concerned social interactions and support. Over 90% of the coordinators perceived that they were competent to coordinate a kitchen. The results indicate that the collective kitchens program addresses several health determinants, and may increase members' capacity to attain food security and to achieve improved nutritional health.

Band-edge positions in G W : Effects of starting point and self-consistency

NASA Astrophysics Data System (ADS)

Chen, Wei; Pasquarello, Alfredo

2014-10-01

We study the effect of starting point and self-consistency within G W on the band-edge positions of semiconductors and insulators. Compared to calculations based on a semilocal starting point, the use of a hybrid-functional starting point shows a larger quasiparticle correction for both band-edge states. When the self-consistent treatment is employed, the band-gap opening is found to result mostly from a shift of the valence-band edge. Within the non-self-consistent methods, we analyse the performance of empirical and nonempirical schemes in which the starting point is optimally tuned. We further assess the accuracy of the band-edge positions through the calculation of ionization potentials of surfaces. The ionization potentials for most systems are reasonably well described by one-shot calculations. However, in the case of TiO2, we find that the use of self-consistency is critical to obtain a good agreement with experiment.

Self-consistent hybrid functionals for solids: a fully-automated implementation

NASA Astrophysics Data System (ADS)

Erba, A.

2017-08-01

A fully-automated algorithm for the determination of the system-specific optimal fraction of exact exchange in self-consistent hybrid functionals of the density-functional-theory is illustrated, as implemented into the public Crystal program. The exchange fraction of this new class of functionals is self-consistently updated proportionally to the inverse of the dielectric response of the system within an iterative procedure (Skone et al 2014 Phys. Rev. B 89, 195112). Each iteration of the present scheme, in turn, implies convergence of a self-consistent-field (SCF) and a coupled-perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) procedure. The present implementation, beside improving the user-friendliness of self-consistent hybrids, exploits the unperturbed and electric-field perturbed density matrices from previous iterations as guesses for subsequent SCF and CPHF/KS iterations, which is documented to reduce the overall computational cost of the whole process by a factor of 2.

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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.

Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations

DOE PAGES

Banerjee, Amartya S.; Suryanarayana, Phanish; Pask, John E.

2016-01-21

Pulay's Direct Inversion in the Iterative Subspace (DIIS) method is one of the most widely used mixing schemes for accelerating the self-consistent solution of electronic structure problems. In this work, we propose a simple generalization of DIIS in which Pulay extrapolation is performed at periodic intervals rather than on every self-consistent field iteration, and linear mixing is performed on all other iterations. Lastly, we demonstrate through numerical tests on a wide variety of materials systems in the framework of density functional theory that the proposed generalization of Pulay's method significantly improves its robustness and efficiency.

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.

The phonon-coupling model for Skyrme forces

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

Lyutorovich, N.; Tselyaev, V.; Speth, J., E-mail: J.Speth@fz-juelich.de

2016-11-15

A short review on the self-consistent RPA based on the energy-density functional of the Skyrme type is given. We also present an extension of the RPA where the coupling of phonons to the single-particle states is considered. Within this approach we present numerical results which are compared with data. The self-consistent approach is compared with the Landau–Migdal theory. Here we derive from the self-consistent ph interaction, the Landau–Migdal parameters as well as their density dependence. In the Appendix a new derivation of the reduced matrix elements of the ph interaction is presented.

You're a "What"? Recycling Coordinator

ERIC Educational Resources Information Center

Torpey, Elka Maria

2011-01-01

Recycling coordinators supervise curbside and dropoff recycling programs for municipal governments or private firms. Today, recycling is mandatory in many communities. And advancements in collection and processing methods have helped to increase the quantity of materials for which the recycling coordinator is responsible. In some communities,…

Self-Consistent Theory of Shot Noise Suppression in Ballistic Conductors

NASA Astrophysics Data System (ADS)

Bulashenko, O. M.; Rubí, J. M.; Kochelap, V. A.

Shot-noise measurements become a fundamental tool to probe carrier interactions in mesoscopic systems [1]. A matter of particular interest is the significance of Coulomb interaction which may keep nearby electrons more regularly spaced rather than strictly at random and lead to the noise reduction. That effect occurs in different physical situations. Among them are charge-limited ballistic transport, resonant tunneling, single-electron tunneling, etc. In this communication we address the problem of Coulomb correlations in ballistic conductors under the space-charge-limited transport conditions, and present for the first time a semiclassical self-consistent theory of shot noise in these conductors by solving analytically the kinetic equation coupled self-consistently with a Poisson equation. Basing upon this theory, exact results for current noise in a two-terminal ballistic conductor under the action of long-range Coulomb correlations has been derived. The noise reduction factor (in respect to the uncorrelated value) is obtained in a closed analytical form for a full range of biases ranging from thermal to shot-noise limits which describe perfectly the results of the Monte Carlo simulations for a nondegenerate electron gas [2]. The magnitude of the noise reduction exceeds 0.01, which is of interest from the point of view of possible applications. Using these analytical results one may estimate a relative contribution to the noise from different groups of carriers (in energy space and/or real space) and to investigate in great detail the correlations between different groups of carriers. This leads us to suggest an electron energy spectroscopy experiment to probe the Coulomb correlations in ballistic conductors. Indeed, while the injected carriers are uncorrelated, those in the volume of the conductor are strongly correlated, as follows from the derived formulas for the fluctuation of the distribution function. Those correlations may be observed experimentally by making use of a combination of two already realized techniques: a hot-electron spectrometer [3,4] which allows one to analyze different energy groups of electrons collected at the contact and shot-noise measurements [5,6]. Such "shot noise reduction spectroscopy" allows one to measure the novel phenomena. In particular, we predict the (anti)correlation of the "tangent" electrons having the energy close to the potential barrier height, to all other electron energy groups collected at the receiving contact.

The rules of information aggregation and emergence of collective intelligent behavior.

PubMed

Bettencourt, Luís M A

2009-10-01

Information is a peculiar quantity. Unlike matter and energy, which are conserved by the laws of physics, the aggregation of knowledge from many sources can in fact produce more information (synergy) or less (redundancy) than the sum of its parts. This feature can endow groups with problem-solving strategies that are superior to those possible among noninteracting individuals and, in turn, may provide a selection drive toward collective cooperation and coordination. Here we explore the formal properties of information aggregation as a general principle for explaining features of social organization. We quantify information in terms of the general formalism of information theory, which also prescribes the rules of how different pieces of evidence inform the solution of a given problem. We then show how several canonical examples of collective cognition and coordination can be understood through principles of minimization of uncertainty (maximization of predictability) under information pooling over many individuals. We discuss in some detail how collective coordination in swarms, markets, natural language processing, and collaborative filtering may be guided by the optimal aggregation of information in social collectives. We also identify circumstances when these processes fail, leading, for example, to inefficient markets. The contrast to approaches to understand coordination and collaboration via decision and game theory is also briefly discussed. Copyright © 2009 Cognitive Science Society, Inc.

Observation of a novel stapler band in 75As

NASA Astrophysics Data System (ADS)

Li, C. G.; Chen, Q. B.; Zhang, S. Q.; Xu, C.; Hua, H.; Li, X. Q.; Wu, X. G.; Hu, S. P.; Meng, J.; Xu, F. R.; Liang, W. Y.; Li, Z. H.; Ye, Y. L.; Jiang, D. X.; Sun, J. J.; Han, R.; Niu, C. Y.; Chen, X. C.; Li, P. J.; Wang, C. G.; Wu, H. Y.; Li, G. S.; He, C. Y.; Zheng, Y.; Li, C. B.; Chen, Q. M.; Zhong, J.; Zhou, W. K.

2017-03-01

The heavy ion fusion-evaporation reaction study for the high-spin spectroscopy of 75As has been performed via the reaction channel 70Zn(9Be, 1p3n)75As at a beam energy of 42 MeV. The collective structure especially a dipole band in 75As is established for the first time. The properties of this dipole band are investigated in terms of the self-consistent tilted axis cranking covariant density functional theory. Based on the theoretical description and the examination of the angular momentum components, this dipole band can be interpreted as a novel stapler band, where the valence neutrons in (1g9/2) orbital rather than the collective core are responsible for the closing of the stapler of angular momentum.

Effects of electric field methods on modeling the midlatitude ionospheric electrodynamics and inner magnetosphere dynamics

DOE PAGES

Yu, Yiqun; Jordanova, Vania Koleva; Ridley, Aaron J.; ...

2017-05-10

Here, we report a self-consistent electric field coupling between the midlatitude ionospheric electrodynamics and inner magnetosphere dynamics represented in a kinetic ring current model. This implementation in the model features another self-consistency in addition to its already existing self-consistent magnetic field coupling with plasma. The model is therefore named as Ring current-Atmosphere interaction Model with Self-Consistent magnetic (B) and electric (E) fields, or RAM-SCB-E. With this new model, we explore, by comparing with previously employed empirical Weimer potential, the impact of using self-consistent electric fields on the modeling of storm time global electric potential distribution, plasma sheet particle injection, andmore » the subauroral polarization streams (SAPS) which heavily rely on the coupled interplay between the inner magnetosphere and midlatitude ionosphere. We find the following phenomena in the self-consistent model: (1) The spatially localized enhancement of electric field is produced within 2.5 < L < 4 during geomagnetic active time in the dusk-premidnight sector, with a similar dynamic penetration as found in statistical observations. (2) The electric potential contours show more substantial skewing toward the postmidnight than the Weimer potential, suggesting the resistance on the particles from directly injecting toward the low-L region. (3) The proton flux indeed indicates that the plasma sheet inner boundary at the dusk-premidnight sector is located further away from the Earth than in the Weimer potential, and a “tongue” of low-energy protons extends eastward toward the dawn, leading to the Harang reversal. (4) SAPS are reproduced in the subauroral region, and their magnitude and latitudinal width are in reasonable agreement with data.« less

Effects of electric field methods on modeling the midlatitude ionospheric electrodynamics and inner magnetosphere dynamics

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

Yu, Yiqun; Jordanova, Vania Koleva; Ridley, Aaron J.

Here, we report a self-consistent electric field coupling between the midlatitude ionospheric electrodynamics and inner magnetosphere dynamics represented in a kinetic ring current model. This implementation in the model features another self-consistency in addition to its already existing self-consistent magnetic field coupling with plasma. The model is therefore named as Ring current-Atmosphere interaction Model with Self-Consistent magnetic (B) and electric (E) fields, or RAM-SCB-E. With this new model, we explore, by comparing with previously employed empirical Weimer potential, the impact of using self-consistent electric fields on the modeling of storm time global electric potential distribution, plasma sheet particle injection, andmore » the subauroral polarization streams (SAPS) which heavily rely on the coupled interplay between the inner magnetosphere and midlatitude ionosphere. We find the following phenomena in the self-consistent model: (1) The spatially localized enhancement of electric field is produced within 2.5 < L < 4 during geomagnetic active time in the dusk-premidnight sector, with a similar dynamic penetration as found in statistical observations. (2) The electric potential contours show more substantial skewing toward the postmidnight than the Weimer potential, suggesting the resistance on the particles from directly injecting toward the low-L region. (3) The proton flux indeed indicates that the plasma sheet inner boundary at the dusk-premidnight sector is located further away from the Earth than in the Weimer potential, and a “tongue” of low-energy protons extends eastward toward the dawn, leading to the Harang reversal. (4) SAPS are reproduced in the subauroral region, and their magnitude and latitudinal width are in reasonable agreement with data.« less

Effects of electric field methods on modeling the midlatitude ionospheric electrodynamics and inner magnetosphere dynamics

NASA Astrophysics Data System (ADS)

Yu, Yiqun; Jordanova, Vania K.; Ridley, Aaron J.; Toth, Gabor; Heelis, Roderick

2017-05-01

We report a self-consistent electric field coupling between the midlatitude ionospheric electrodynamics and inner magnetosphere dynamics represented in a kinetic ring current model. This implementation in the model features another self-consistency in addition to its already existing self-consistent magnetic field coupling with plasma. The model is therefore named as Ring current-Atmosphere interaction Model with Self-Consistent magnetic (B) and electric (E) fields, or RAM-SCB-E. With this new model, we explore, by comparing with previously employed empirical Weimer potential, the impact of using self-consistent electric fields on the modeling of storm time global electric potential distribution, plasma sheet particle injection, and the subauroral polarization streams (SAPS) which heavily rely on the coupled interplay between the inner magnetosphere and midlatitude ionosphere. We find the following phenomena in the self-consistent model: (1) The spatially localized enhancement of electric field is produced within 2.5 < L < 4 during geomagnetic active time in the dusk-premidnight sector, with a similar dynamic penetration as found in statistical observations. (2) The electric potential contours show more substantial skewing toward the postmidnight than the Weimer potential, suggesting the resistance on the particles from directly injecting toward the low-L region. (3) The proton flux indeed indicates that the plasma sheet inner boundary at the dusk-premidnight sector is located further away from the Earth than in the Weimer potential, and a "tongue" of low-energy protons extends eastward toward the dawn, leading to the Harang reversal. (4) SAPS are reproduced in the subauroral region, and their magnitude and latitudinal width are in reasonable agreement with data.

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.

A cluster phase analysis for collective behavior in team sports.

PubMed

López-Felip, Maurici A; Davis, Tehran J; Frank, Till D; Dixon, James A

2018-06-01

Collective behavior can be defined as the ability of humans to coordinate with others through a complex environment. Sports offer exquisite examples of this dynamic interplay, requiring decision making and other perceptual-cognitive skills to adjust individual decisions to the team self-organization and vice versa. Considering players of a team as periodic phase oscillators, synchrony analyses can be used to model the coordination of a team. Nonetheless, a main limitation of current models is that collective behavior is context independent. In other words, players on a team can be highly synchronized without this corresponding to a meaningful coordination dynamics relevant to the context of the game. Considering these issues, the aim of this study was to develop a method of analysis sensitive to the context for evidence-based measures of collective behavior. Copyright © 2018 Elsevier B.V. All rights reserved.

75 FR 2595 - Proposed Information Collection (Care Coordination Home Telehealth (CCHT) Activity: Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-15

... (Care Coordination Home Telehealth (CCHT) Activity: Comment Request AGENCY: Veterans Health.... Title: Care Coordination Home Telehealth (CCHT) Patient Satisfaction Survey, VA Form 10-0481. OMB... program will receive survey questions through a messaging device located in their home. Patients can...

Conflict and coordination in the provision of public goods: a conceptual analysis of continuous and step-level games.

PubMed

Abele, Susanne; Stasser, Garold; Chartier, Christopher

2010-11-01

Conflicts between individual and collective interests are ubiquitous in social life. Experimental studies have investigated the resolution of such conflicts using public goods games with either continuous or step-level payoff functions. Game theory and social interdependence theory identify consequential differences between these two types of games. Continuous function games are prime examples of social dilemmas because they always contain a conflict between individual and collective interests, whereas step-level games can be construed as social coordination games. Step-level games often provide opportunities for coordinated solutions that benefit both the collective and the individuals. For this and other reasons, the authors conclude that one cannot safely generalize results obtained from step-level to continuous-form games (or vice versa). Finally, the authors identify specific characteristics of the payoff function in public goods games that conceptually mark the transition from a pure dilemma to a coordination problem nested within a dilemma.

Self-consistent description of a system of interacting phonons

NASA Astrophysics Data System (ADS)

Poluektov, Yu. M.

2015-11-01

A proposal for a method of self-consistent description of phonon systems. This method generalizes the Debye model to account for phonon-phonon interaction. The idea of "self-consistent" phonons is introduced; their speed depends on the temperature and is determined by solving a non-linear equation. The Debye energy is also a function of the temperature within the framework of the proposed approach. The thermodynamics of "self-consistent" phonon gas are built. It is shown that at low temperatures the cubic law temperature dependence of specific heat acquires an additional term that is proportional to the seventh power of the temperature. This seems to explain the reason why the cubic law for specific heat is observed only at relatively low temperatures. At high temperatures, the theory predicts a linear deviation with respect to temperature from the Dulong-Petit law, which is observed experimentally. A modification to the melting criteria is considered, to account for the phonon-phonon interaction.

Shared knowledge or shared affordances? Insights from an ecological dynamics approach to team coordination in sports.

PubMed

Silva, Pedro; Garganta, Júlio; Araújo, Duarte; Davids, Keith; Aguiar, Paulo

2013-09-01

Previous research has proposed that team coordination is based on shared knowledge of the performance context, responsible for linking teammates' mental representations for collective, internalized action solutions. However, this representational approach raises many questions including: how do individual schemata of team members become reformulated together? How much time does it take for this collective cognitive process to occur? How do different cues perceived by different individuals sustain a general shared mental representation? This representational approach is challenged by an ecological dynamics perspective of shared knowledge in team coordination. We argue that the traditional shared knowledge assumption is predicated on 'knowledge about' the environment, which can be used to share knowledge and influence intentions of others prior to competition. Rather, during competitive performance, the control of action by perceiving surrounding informational constraints is expressed in 'knowledge of' the environment. This crucial distinction emphasizes perception of shared affordances (for others and of others) as the main communication channel between team members during team coordination tasks. From this perspective, the emergence of coordinated behaviours in sports teams is based on the formation of interpersonal synergies between players resulting from collective actions predicated on shared affordances.

A pseudoinverse deformation vector field generator and its applications

PubMed Central

Yan, C.; Zhong, H.; Murphy, M.; Weiss, E.; Siebers, J. V.

2010-01-01

Purpose: To present, implement, and test a self-consistent pseudoinverse displacement vector field (PIDVF) generator, which preserves the location of information mapped back-and-forth between image sets. Methods: The algorithm is an iterative scheme based on nearest neighbor interpolation and a subsequent iterative search. Performance of the algorithm is benchmarked using a lung 4DCT data set with six CT images from different breathing phases and eight CT images for a single prostrate patient acquired on different days. A diffeomorphic deformable image registration is used to validate our PIDVFs. Additionally, the PIDVF is used to measure the self-consistency of two nondiffeomorphic algorithms which do not use a self-consistency constraint: The ITK Demons algorithm for the lung patient images and an in-house B-Spline algorithm for the prostate patient images. Both Demons and B-Spline have been QAed through contour comparison. Self-consistency is determined by using a DIR to generate a displacement vector field (DVF) between reference image R and study image S (DVFR–S). The same DIR is used to generate DVFS–R. Additionally, our PIDVF generator is used to create PIDVFS–R. Back-and-forth mapping of a set of points (used as surrogates of contours) using DVFR–S and DVFS–R is compared to back-and-forth mapping performed with DVFR–S and PIDVFS–R. The Euclidean distances between the original unmapped points and the mapped points are used as a self-consistency measure. Results: Test results demonstrate that the consistency error observed in back-and-forth mappings can be reduced two to nine times in point mapping and 1.5 to three times in dose mapping when the PIDVF is used in place of the B-Spline algorithm. These self-consistency improvements are not affected by the exchanging of R and S. It is also demonstrated that differences between DVFS–R and PIDVFS–R can be used as a criteria to check the quality of the DVF. Conclusions: Use of DVF and its PIDVF will improve the self-consistency of points, contour, and dose mappings in image guided adaptive therapy. PMID:20384247

Coordinated Collection Development via CD-ROM. A Pilot Project Granted by LSCA Title III Funds to Crosby Library, Gonzaga University. Final Narrative Report.

ERIC Educational Resources Information Center

Peterson, Elaine; Carr, Mary M.

Three colleges in the state of Washington--Gonzaga College (Crosby Library), Whitworth College, and Eastern Washington University--received grants from the Fred Meyer Charitable Trust and the Library Services and Construction Act to facilitate coordinated collection development in the areas of education and business/economics, so that their…

Coordination and Collective Decision Making

DTIC Science & Technology

2015-08-21

Fisheries , (06 2014): 1. doi: 10.1111/faf.12084 L. Giuggioli, J. R. Potts, D. I. Rubenstein, S. A. Levin. Stigmergy, collective actions, and animal ...terrestrial and marine food webs, as well as enabling interspecies interactions such as reproduction. Eulerian models describe aggregations of animals in...achieved in decision-making. Animal groups frequently display highly coordinated movements, and provide an excellent vehicle by which to understand

45 CFR 708.9 - Coordinating offset with another Federal agency.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 45 Public Welfare 3 2010-10-01 2010-10-01 false Coordinating offset with another Federal agency. 708.9 Section 708.9 Public Welfare Regulations Relating to Public Welfare (Continued) COMMISSION ON CIVIL RIGHTS COLLECTION BY SALARY OFFSET FROM INDEBTED CURRENT AND FORMER EMPLOYEES § 708.9 Coordinating...

MINNESOTA COORDINATION UNIT FOR RESEARCH AND DEVELOPMENT IN OCCUPATIONAL EDUCATION.

ERIC Educational Resources Information Center

MOSS, JEROME, JR.; NELSON, HOWARD F.

THE MINNESOTA COORDINATION UNIT FOR RESEARCH AND DEVELOPMENT IN OCCUPATIONAL EDUCATION WAS ESTABLISHED IN JUNE 1965 AT THE UNIVERSITY OF MINNESOTA FOR THE PURPOSES OF COORDINATING AND STIMULATING OCCUPATIONAL EDUCATION RESEARCH, COLLECTING AND DISSEMINATING THE RESULTS OF THAT RESEARCH, PROVIDING TECHNICAL CONSULTATION AND RESEARCH TRAINING, AND…

75 FR 39020 - Proposed Information Collection Activity; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-07

... Policy Experts, and State-level Coordinators.. Discussion Guide for use with Program Directors 25 1 2.5... other study activities, ACF seeks to identify the types of strategies that should be tested within the..., coordinators (e.g. state-level coordinators), subsidized and transitional employment program directors and...

12 CFR 1704.29 - Coordinating salary offset with other agencies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 7 2010-01-01 2010-01-01 false Coordinating salary offset with other agencies... HOUSING AND URBAN DEVELOPMENT OFHEO ORGANIZATION AND FUNCTIONS DEBT COLLECTION Salary Offset § 1704.29 Coordinating salary offset with other agencies. (a) Responsibility of OFHEO as the creditor agency. (1) OFHEO...

75 FR 15496 - Agency Information Collection (Care Coordination Home Telehealth (CCHT)) Activity Under OMB Review

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-29

... (Care Coordination Home Telehealth (CCHT)) Activity Under OMB Review AGENCY: Veterans Health... INFORMATION: Title: Care Coordination Home Telehealth (CCHT) Patient Satisfaction Survey, VA Form 10-0481. OMB... program will receive survey questions through a messaging device located in their home. Patients can...

78 FR 76193 - Agency Information Collection (Care Coordination Home Telehealth (CCHT) Patient Satisfaction...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-16

... Coordination Home Telehealth (CCHT) Patient Satisfaction Survey) Activities Under OMB Review AGENCY: Veterans... patient perspective on satisfaction with the CCHT program and messaging devices. DATES: Comments must be...: Care Coordination Home Telehealth (CCHT) Patient Satisfaction Survey, VA Form 10-0481. Type of Review...

78 FR 53506 - Proposed Information Collection (Care Coordination Home Telehealth (CCHT) Patient Satisfaction...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-29

... Coordination Home Telehealth (CCHT) Patient Satisfaction Survey, VA Form 10-0481); Activity: Comment Request... required to obtain patient perspective on satisfaction with the CCHT program and messaging devices. DATES.... Titles: Care Coordination Home Telehealth (CCHT) Patient Satisfaction Survey, VA Form 10-0481. OMB...

Non-equilibrium dynamics of artificial quantum matter

NASA Astrophysics Data System (ADS)

Babadi, Mehrtash

The rapid progress of the field of ultracold atoms during the past two decades has set new milestones in our control over matter. By cooling dilute atomic gases and molecules to nano-Kelvin temperatures, novel quantum mechanical states of matter can be realized and studied on a table-top experimental setup while bulk matter can be tailored to faithfully simulate abstract theoretical models. Two of such models which have witnessed significant experimental and theoretical attention are (1) the two-component Fermi gas with resonant s-wave interactions, and (2) the single-component Fermi gas with dipole-dipole interactions. This thesis is devoted to studying the non-equilibrium collective dynamics of these systems using the general framework of quantum kinetic theory. We present a concise review of the utilized mathematical methods in the first two chapters, including the Schwinger-Keldysh formalism of non-equilibrium quantum fields, two-particle irreducible (2PI) effective actions and the framework of quantum kinetic theory. We study the collective dynamics of the dipolar Fermi gas in a quasi-two-dimensional optical trap in chapter 3 and provide a detailed account of its dynamical crossover from the collisionless to the hydrodynamical regime. Chapter 4 is devoted to studying the dynamics of the attractive Fermi gas in the normal phase. Starting from the self-consistent T-matrix (pairing fluctuation) approximation, we systematically derive a set of quantum kinetic equations and show that they provide a globally valid description of the dynamics of the attractive Fermi gas, ranging from the weak-coupling Fermi liquid phase to the intermediate non-Fermi liquid pairing pseudogap regime and finally the strong-coupling Bose liquid phase. The shortcomings of the self-consistent T-matrix approximation in two spatial dimensions are discussed along with a proposal to overcome its unphysical behaviors. The developed kinetic formalism is finally utilized to reproduce and interpret the findings of a recent experiment done on the collective dynamics of trapped two-dimensional ultracold gases.

Skyrme RPA description of γ-vibrational states in rare-earth nuclei

NASA Astrophysics Data System (ADS)

Nesterenko, V. O.; Kartavenko, V. G.; Kleinig, W.; Kvasil, J.; Repko, A.; Jolos, R. V.; Reinhard, P.-G.

2016-01-01

The lowest γ-vibrational states with Kπ = 2+γ in well-deformed Dy, Er and Yb isotopes are investigated within the self-consistent separable quasiparticle random-phase-approximation (QRPA) approach based on the Skyrme functional. The energies Eγ and reduced transition probabilities B(E2)γ of the states are calculated with the Skyrme force SV-mas10. We demonstrate the strong effect of the pairing blocking on the energies of γ-vibrational states. It is also shown that collectivity of γ-vibrational states is strictly determined by keeping the Nilsson selection rules in the corresponding lowest 2qp configurations.

Valley-polarized edge pseudomagnetoplasmons in graphene: A two-component hydrodynamic model

NASA Astrophysics Data System (ADS)

Zhang, Ya; Guo, Bin; Zhai, Feng; Jiang, Wei

2018-03-01

By means of a nonlinear two-component hydrodynamic model, we study the valley-polarized collective motion of electrons in a strained graphene sheet. The self-consistent numerical solution in real space indicates the existence of valley-polarized edge plasmons due to a strain-induced pseudomagnetic field. The valley polarization of the edge pseudomagnetoplasmon can occur in a specific valley, depending on the pseudomagnetic field and the electron density in equilibrium. A full valley polarization is achieved at the edge of the graphene sheet for a pseudomagnetic field of tens of Tesla, which is a realistic value in current experimental technologies.

Self-Consistency of the Theory of Elementary Stage Rates of Reversible Processes and the Equilibrium Distribution of Reaction Mixture Components

NASA Astrophysics Data System (ADS)

Tovbin, Yu. K.

2018-06-01

An analysis is presented of one of the key concepts of physical chemistry of condensed phases: the theory self-consistency in describing the rates of elementary stages of reversible processes and the equilibrium distribution of components in a reaction mixture. It posits that by equating the rates of forward and backward reactions, we must obtain the same equation for the equilibrium distribution of reaction mixture components, which follows directly from deducing the equation in equilibrium theory. Ideal reaction systems always have this property, since the theory is of a one-particle character. Problems arise in considering interparticle interactions responsible for the nonideal behavior of real systems. The Eyring and Temkin approaches to describing nonideal reaction systems are compared. Conditions for the self-consistency of the theory for mono- and bimolecular processes in different types of interparticle potentials, the degree of deviation from the equilibrium state, allowing for the internal motions of molecules in condensed phases, and the electronic polarization of the reagent environment are considered within the lattice gas model. The inapplicability of the concept of an activated complex coefficient for reaching self-consistency is demonstrated. It is also shown that one-particle approximations for considering intermolecular interactions do not provide a theory of self-consistency for condensed phases. We must at a minimum consider short-range order correlations.

Self-consistent computation of the electric field near ICRH antennas. Application to the Tore Supra antenna

NASA Astrophysics Data System (ADS)

Pécoul, S.; Heuraux, S.; Koch, R.; Leclert, G.; Bécoulet, A.; Colas, L.

1999-09-01

Self-consistent calculations of the 3D electric field patterns between the screen and the plasma have been made with the ICANT code for realistic antennas. Here we explain how the ICRH antennas of the Tore Supra tokamak are modelled.

Self-consistent computation of the electric field near ICRH antennas. Application to the Tore Supra antenna

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

Pecoul, S.; Heuraux, S.; Koch, R.

1999-09-20

Self-consistent calculations of the 3D electric field patterns between the screen and the plasma have been made with the ICANT code for realistic antennas. Here we explain how the ICRH antennas of the Tore Supra tokamak are modelled.

Cauchy problem in spacetimes with closed timelike curves

NASA Astrophysics Data System (ADS)

Friedman, John; Morris, Michael S.; Novikov, Igor D.; Echeverria, Fernando; Klinkhammer, Gunnar; Thorne, Kip S.; Yurtsever, Ulvi

1990-09-01

The laws of physics might permit the existence, in the real Universe, of closed timelike curves (CTC's). Macroscopic CTC's might be a semiclassical consequence of Planck-scale, quantum gravitational, Lorentzian foam, if such foam exists. If CTC's are permitted, then the semiclassical laws of physics (the laws with gravity classical and other fields quantized or classical) should be augmented by a principle of self-consistency, which states that a local solution to the equations of physics can occur in the real Universe only if it can be extended to be part of a global solution, one which is well defined throughout the (nonsingular regions of) classical spacetime. The consequences of this principle are explored for the Cauchy problem of the evolution of a classical, massless scalar field Φ (satisfying □Φ=0) in several model spacetimes with CTC's. In general, self-consistency constrains the initial data for the field Φ. For a family of spacetimes with traversible wormholes, which initially possess no CTC's and then evolve them to the future of a stable Cauchy horizon scrH, self-consistency seems to place no constraints on initial data for Φ that are posed on past null infinity, and none on data posed on spacelike slices which precede scrH. By contrast, initial data posed in the future of scrH, where the CTC's reside, are constrained; but the constraints appear to be mild in the sense that in some neighborhood of every event one is free to specify initial data arbitrarily, with the initial data elsewhere being adjusted to guarantee self-consistent evolution. A spacetime whose self-consistency constraints have this property is defined to be ``benign with respect to the scalar field Φ.'' The question is posed as to whether benign spacetimes in some sense form a generic subset of all spacetimes with CTC's. It is shown that in the set of flat, spatially and temporally closed, 2-dimensional spacetimes the benign ones are not generic. However, it seems likely that every 4-dimensional, asymptotically flat space-time that is stable and has a topology of the form R×(S-one point), where S is a closed 3-manifold, is benign. Wormhole spacetimes are of this type, with S=S1×S2. We suspect that these types of self-consistency behavior of the scalar field Φ are typical for noninteracting (linearly superposing), classical fields. However, interacting classical systems can behave quite differently, as is demonstrated by a study of the motion of a hard-sphere billiard ball in a wormhole spacetime with closed timelike curves: If the ball is classical, then some choices of initial data (some values of the ball's initial position and velocity) give rise to unique, self-consistent motions of the ball; other choices produce two different self-consistent motions; and others might (but we are not yet sure) produce no self-consistent motions whatsoever. By contrast, in a path-integral formulation of the nonrelativistic quantum mechanics of such a billiard ball, there appears to be a unique, self-consistent set of probabilities for the outcomes of all measurements. This paper's conclusion, that CTC's may not be as nasty as people have assumed, is reinforced by the fact that they do not affect Gauss's theorem and thus do not affect the derivation of global conservation laws from differential ones. The standard conservation laws remain valid globally, and in asymptotically flat, wormhole spacetimes they retain a natural, quasilocal interpretation.

Toward a consistent modeling framework to assess multi-sectoral climate impacts.

PubMed

Monier, Erwan; Paltsev, Sergey; Sokolov, Andrei; Chen, Y-H Henry; Gao, Xiang; Ejaz, Qudsia; Couzo, Evan; Schlosser, C Adam; Dutkiewicz, Stephanie; Fant, Charles; Scott, Jeffery; Kicklighter, David; Morris, Jennifer; Jacoby, Henry; Prinn, Ronald; Haigh, Martin

2018-02-13

Efforts to estimate the physical and economic impacts of future climate change face substantial challenges. To enrich the currently popular approaches to impact analysis-which involve evaluation of a damage function or multi-model comparisons based on a limited number of standardized scenarios-we propose integrating a geospatially resolved physical representation of impacts into a coupled human-Earth system modeling framework. Large internationally coordinated exercises cannot easily respond to new policy targets and the implementation of standard scenarios across models, institutions and research communities can yield inconsistent estimates. Here, we argue for a shift toward the use of a self-consistent integrated modeling framework to assess climate impacts, and discuss ways the integrated assessment modeling community can move in this direction. We then demonstrate the capabilities of such a modeling framework by conducting a multi-sectoral assessment of climate impacts under a range of consistent and integrated economic and climate scenarios that are responsive to new policies and business expectations.

The complex-scaled multiconfigurational spin-tensor electron propagator method for low-lying shape resonances in Be-, Mg- and Ca-

NASA Astrophysics Data System (ADS)

Tsogbayar, Tsednee; Yeager, Danny L.

2017-01-01

We further apply the complex scaled multiconfigurational spin-tensor electron propagator method (CMCSTEP) for the theoretical determination of resonance parameters with electron-atom systems including open-shell and highly correlated (non-dynamical correlation) atoms and molecules. The multiconfigurational spin-tensor electron propagator method (MCSTEP) developed and implemented by Yeager and his coworkers for real space gives very accurate and reliable ionization potentials and electron affinities. CMCSTEP uses a complex scaled multiconfigurational self-consistent field (CMCSCF) state as an initial state along with a dilated Hamiltonian where all of the electronic coordinates are scaled by a complex factor. CMCSTEP is designed for determining resonances. We apply CMCSTEP to get the lowest 2P (Be-, Mg-) and 2D (Mg-, Ca-) shape resonances using several different basis sets each with several complete active spaces. Many of these basis sets we employ have been used by others with different methods. Hence, we can directly compare results with different methods but using the same basis sets.

Radiative Transfer Modeling in Proto-planetary Disks

NASA Astrophysics Data System (ADS)

Kasper, David; Jang-Condell, Hannah; Kloster, Dylan

2016-01-01

Young Stellar Objects (YSOs) are rich astronomical research environments. Planets form in circumstellar disks of gas and dust around YSOs. With ever increasing capabilities of the observational instruments designed to look at these proto-planetary disks, most notably GPI, SPHERE, and ALMA, more accurate interfaces must be made to connect modeling of the disks with observation. PaRTY (Parallel Radiative Transfer in YSOs) is a code developed previously to model the observable density and temperature structure of such a disk by self-consistently calculating the structure of the disk based on radiative transfer physics. We present upgrades we are implementing to the PaRTY code to improve its accuracy and flexibility. These upgrades include: creating a two-sided disk model, implementing a spherical coordinate system, and implementing wavelength-dependent opacities. These upgrades will address problems in the PaRTY code of infinite optical thickness, calculation under/over-resolution, and wavelength-independent photon penetration depths, respectively. The upgraded code will be used to better model disk perturbations resulting from planet formation.

Cooperative Metal+Ligand Oxidative Addition and Sigma-Bond Metathesis: A DFT Study

DOE PAGES

Lopez, Kent G.; Cundari, Thomas R.; Gary, J. Brannon

2018-01-17

A computational study of the experimentally proposed mechanism of alkyne diboration by a PDICo complex yielded two fundamental catalytic steps that undergo remarkable electronic changes, PDI = bis(imino)-pyridine. The reactions are envisaged via DFT (density functional theory) and MCSCF (multi-configuration self-consistent field) simulations as (i) a cooperative metal+ligand oxidative addition, and (ii) a sigma-bond metathesis induced ligand-to-metal charge transfer. Analysis of the bonding of pertinent intermediates/TSs also yielded important insight that may be illuminating with regards to the larger field of green catalysis that seeks to ennoble base metals through synergy with potentially redox non-innocent (RNI) ligands. For the presentmore » case, massive changes in electronic structure do not incur massive energetic penalties. Finally, in conjunction with previous research, one may postulate that structural and energetic “fluidity” among several electronic states of RNI-M 3d along the reaction coordinate is an essential signature of redox cooperativity and thus ennoblement.« less

Ion temperature effects on magnetotail Alfvén wave propagation and electron energization: ION TEMPERATURE EFFECTS ON ALFVÉN WAVES

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

Damiano, P. A.; Johnson, J. R.; Chaston, C. C.

2015-07-01

A new 2-D self-consistent hybrid gyrofluid-kinetic electron model in dipolar coordinates is presented and used to simulate dispersive-scale Alfvén wave pulse propagation from the equator to the ionosphere along an L = 10 magnetic field line. The model is an extension of the hybrid MHD-kinetic electron model that incorporates ion Larmor radius corrections via the kinetic fluid model of Cheng and Johnson (1999). It is found that consideration of a realistic ion to electron temperature ratio decreases the propagation time of the wave from the plasma sheet to the ionosphere by several seconds relative to a ρi=0 case (which alsomore » implies shorter timing for a substorm onset signal) and leads to significant dispersion of wave energy perpendicular to the ambient magnetic field. Additionally, ion temperature effects reduce the parallel current and electron energization all along the field line for the same magnitude perpendicular electric field perturbation.« less

Cooperative Metal+Ligand Oxidative Addition and Sigma-Bond Metathesis: A DFT Study

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

Lopez, Kent G.; Cundari, Thomas R.; Gary, J. Brannon

A computational study of the experimentally proposed mechanism of alkyne diboration by a PDICo complex yielded two fundamental catalytic steps that undergo remarkable electronic changes, PDI = bis(imino)-pyridine. The reactions are envisaged via DFT (density functional theory) and MCSCF (multi-configuration self-consistent field) simulations as (i) a cooperative metal+ligand oxidative addition, and (ii) a sigma-bond metathesis induced ligand-to-metal charge transfer. Analysis of the bonding of pertinent intermediates/TSs also yielded important insight that may be illuminating with regards to the larger field of green catalysis that seeks to ennoble base metals through synergy with potentially redox non-innocent (RNI) ligands. For the presentmore » case, massive changes in electronic structure do not incur massive energetic penalties. Finally, in conjunction with previous research, one may postulate that structural and energetic “fluidity” among several electronic states of RNI-M 3d along the reaction coordinate is an essential signature of redox cooperativity and thus ennoblement.« less

Informatics Tools to Improve Clinical Research

PubMed Central

Argraves, S; Brandt, CA; Money, R; Nadkarni, P

2005-01-01

During the conduct of complex clinical trials, there are numerous sources and types of data collection and project coordination problems. Methods and approaches to address the conduct of a trial vary in both the cost and time to perform and the potential benefit. Informatics tools can help trial coordinators and investigators ensure the collection of high quality research data during all phases of a clinical trial. PMID:16779170

A Coordinated Approach to Raising the Socio-Economic Status of Latinos in California.

ERIC Educational Resources Information Center

Lopez, Elias, Ed.; Puddefoot, Ginny, Ed.; Gandara, Patricia, Ed.

This report presents a collection of papers that focuses on a coordinated approach to raising the socioeconomic status of Hispanic Americans living in California. After presenting "The Need for a Coordinated Approach," the papers are: "Preschool Access" (Theresa Garcia, Sandra Gutierrez, and Giovanna Stark); "K-12…

5 CFR 1639.28 - Coordinating salary offset with other agencies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Coordinating salary offset with other... CLAIMS COLLECTION Salary Offset § 1639.28 Coordinating salary offset with other agencies. (a... employee is in the process of separating and has not received a final salary check or other final payment(s...

45 CFR 2506.33 - How will the Corporation coordinate salary offsets with other agencies?

Code of Federal Regulations, 2010 CFR

2010-10-01

... 45 Public Welfare 4 2010-10-01 2010-10-01 false How will the Corporation coordinate salary offsets... (Continued) CORPORATION FOR NATIONAL AND COMMUNITY SERVICE COLLECTION OF DEBTS Salary Offset § 2506.33 How will the Corporation coordinate salary offsets with other agencies? (a) Responsibilities of the...

12 CFR 313.49 - Coordinating salary offset with other agencies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 12 Banks and Banking 4 2010-01-01 2010-01-01 false Coordinating salary offset with other agencies... PRACTICE PROCEDURES FOR CORPORATE DEBT COLLECTION Salary Offset § 313.49 Coordinating salary offset with... employee has consented to the salary offset in writing or has signed a statement acknowledging receipt of...

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.

Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches

NASA Astrophysics Data System (ADS)

Meier, Patrick; Oschetzki, Dominik; Pfeiffer, Florian; Rauhut, Guntram

2015-12-01

Resonating vibrational states cannot consistently be described by single-reference vibrational self-consistent field methods but request the use of multiconfigurational approaches. Strategies are presented to accelerate vibrational multiconfiguration self-consistent field theory and subsequent multireference configuration interaction calculations in order to allow for routine calculations at this enhanced level of theory. State-averaged vibrational complete active space self-consistent field calculations using mode-specific and state-tailored active spaces were found to be very fast and superior to state-specific calculations or calculations with a uniform active space. Benchmark calculations are presented for trans-diazene and bromoform, which show strong resonances in their vibrational spectra.

Towards an automated and efficient calculation of resonating vibrational states based on state-averaged multiconfigurational approaches

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

Meier, Patrick; Oschetzki, Dominik; Pfeiffer, Florian

Resonating vibrational states cannot consistently be described by single-reference vibrational self-consistent field methods but request the use of multiconfigurational approaches. Strategies are presented to accelerate vibrational multiconfiguration self-consistent field theory and subsequent multireference configuration interaction calculations in order to allow for routine calculations at this enhanced level of theory. State-averaged vibrational complete active space self-consistent field calculations using mode-specific and state-tailored active spaces were found to be very fast and superior to state-specific calculations or calculations with a uniform active space. Benchmark calculations are presented for trans-diazene and bromoform, which show strong resonances in their vibrational spectra.

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

Saperstein, E. E., E-mail: saper@mbslab.kiae.ru; Tolokonnikov, S. V.

Recent results obtained on the basis of the self-consistent theory of finite Fermi systems by employing the energy density functional proposed by Fayans and his coauthors are surveyed. These results are compared with the predictions of Skyrme–Hartree–Fock theory involving several popular versions of the Skyrme energy density functional. Spherical nuclei are predominantly considered. The charge radii of even and odd nuclei and features of low-lying 2{sup +} excitations in semimagic nuclei are discussed briefly. The single-particle energies ofmagic nuclei are examined inmore detail with allowance for corrections to mean-field theory that are induced by particle coupling to low-lying collective surfacemore » excitations (phonons). The importance of taking into account, in this problem, nonpole (tadpole) diagrams, which are usually disregarded, is emphasized. The spectroscopic factors of magic and semimagic nuclei are also considered. In this problem, only the surface term stemming from the energy dependence induced in the mass operator by the exchange of surface phonons is usually taken into account. The volume contribution associated with the energy dependence initially present in the mass operator within the self-consistent theory of finite Fermi systems because of the exchange of high-lying particle–hole excitations is also included in the spectroscopic factor. The results of the first studies that employed the Fayans energy density functional for deformed nuclei are also presented.« less

Semiclassical theory of the self-consistent vibration-rotation fields and its application to the bending-rotation interaction in the H{sub 2}O molecule

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

Skalozub, A.S.; Tsaune, A.Ya.

1994-12-01

A new approach for analyzing the highly excited vibration-rotation (VR) states of nonrigid molecules is suggested. It is based on the separation of the vibrational and rotational terms in the molecular VR Hamiltonian by introducing periodic auxiliary fields. These fields transfer different interactions within a molecule and are treated in terms of the mean-field approximation. As a result, the solution of the stationary Schroedinger equation with the VR Hamiltonian amounts to a quantization of the Berry phase in a problem of the molecular angular-momentum motion in a certain periodic VR field (rotational problem). The quantization procedure takes into account themore » motion of the collective vibrational variables in the appropriate VR potentials (vibrational problem). The quantization rules, the mean-field configurations of auxiliary interactions, and the solutions to the Schrodinger equations for the vibrational and rotational problems are self-consistently connected with one another. The potentialities of the theory are demonstrated by the bending-rotation interaction modeled by the Bunker-Landsberg potential function in the H{sub 2} molecule. The calculations are compared with both the results of the exact computations and those of other approximate methods. 32 refs., 4 tabs.« less

Inter-subband structure factor for a quasi-one-dimensional polaron gas

NASA Astrophysics Data System (ADS)

Machado, Paulo César Miranda; Osório, Francisco Aparecido Pinto; Borges, Antônio Newton

2016-08-01

In this work, the collective excitation spectra of quasi-one-dimensional plasmon in a rectangular GaAs quantum wire is investigated. Our calculations are performed within the Singwi, Tosi, Land and Sjölander (STLS) self-consistent theory taking into account the plasmon-longitudinal optical (LO) phonon coupling effects. We have employed a three subband model with only the first subband occupied by electrons and we have considered intra-subband and inter-subband transitions. We show that the polaronic effects cause the appearance of dips and oscillations in the static structure factor dispersion relation, which are directly related with the oscillator strength transfer between the collective excitation energy branches. We have also observed oscillations in the pair-correlation function that are characteristic of inter-subband transitions and it denotes partial localization of the particle.

Subjective Confidence in Perceptual Judgments: A Test of the Self-Consistency Model

ERIC Educational Resources Information Center

Koriat, Asher

2011-01-01

Two questions about subjective confidence in perceptual judgments are examined: the bases for these judgments and the reasons for their accuracy. Confidence in perceptual judgments has been claimed to rest on qualitatively different processes than confidence in memory tasks. However, predictions from a self-consistency model (SCM), which had been…

A self-consistent treatment of a fluid in an external potential

NASA Astrophysics Data System (ADS)

Boudh-Hir, M.-E.

A simple fluid of particles near a repulsive structureless wall can be approximated by an identical fluid interacting with an ideal wall. The expansion in powers of the Andersen-Weeks-Chandler (AWC) blip function is used. Lado's criterion, which permits a self-consistent approximation, is extended to the surface case.

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.

Linearized self-consistent GW approach satisfying the Ward identity

NASA Astrophysics Data System (ADS)

Kuwahara, Riichi; Ohno, Kaoru

2014-09-01

We propose a linearized self-consistent GW approach satisfying the Ward identity. The vertex function derived from the Ward-Takahashi identity in the limit of q =0 and ω -ω'=0 is included in the self-energy and the polarization function as a consequence of the linearization of the quasiparticle equation. Due to the energy dependence of the self-energy, the Hamiltonian is a non-Hermitian operator and quasiparticle states are nonorthonormal and linearly dependent. However, the linearized quasiparticle states recover orthonormality and fulfill the completeness condition. This approach is very efficient, and the resulting quasiparticle energies are greatly improved compared to the nonlinearized self-consistent GW approach, although its computational cost is not much increased. We show the results for atoms and dimers of Li and Na compared with other approaches. We also propose convenient ways to calculate the Luttinger-Ward functional Φ based on a plasmon-pole model and calculate the total energy for the ground state. As a result, we conclude that the linearization improves overall behaviors in the self-consistent GW approach.

Pulling it all together: the self-consistent distribution of neutral tori in Saturn's Magnetosphere based on all Cassini observations

NASA Astrophysics Data System (ADS)

Smith, H. T.; Richardson, J. D.

2017-12-01

Saturn's magnetosphere is unique in that the plumes from the small icy moon, Enceladus, serve at the primary source for heavy particles in Saturn's magnetosphere. The resulting co-orbiting neutral particles interact with ions, electrons, photons and other neutral particles to generate separate H2O, OH and O tori. Characterization of these toroidal distributions is essential for understanding Saturn magnetospheric sources, composition and dynamics. Unfortunately, limited direct observations of these features are available so modeling is required. A significant modeling challenge involves ensuring that either the plasma and neutral particle populations are not simply input conditions but can provide feedback to each population (i.e. are self-consistent). Jurac and Richardson (2005) executed such a self-consistent model however this research was performed prior to the return of Cassini data. In a similar fashion, we have coupled a 3-D neutral particle model (Smith et al. 2004, 2005, 2006, 2007, 2009, 2010) with a plasma transport model (Richardson 1998; Richardson & Jurac 2004) to develop a self-consistent model which is constrained by all available Cassini observations and current findings on Saturn's magnetosphere and the Enceladus plume source resulting in much more accurate neutral particle distributions. We present a new self-consistent model of the distribution of the Enceladus-generated neutral tori that is validated by all available observations. We also discuss the implications for source rate and variability.

Social supports and mental health: a cross-sectional study on the correlation of self-consistency and congruence in China.

PubMed

Gu, YanMei; Hu, Jie; Hu, YaPing; Wang, JianRong

2016-06-28

Psychosocial job characteristics require nursing staff with high self-consistency and good mental health. However, the attention and effort of such study remained very limited in China. A self-administered questionnaire was distributed to the bedside nurses in an affiliated hospital of Hebei Medical University, China. Of 218 registered bedside nurses eligible to participate in the survey anonymously, the data producing sample of 172 subjects resulted in a 79 % of effective response rate.. The Social Support Rating Scale was used to measure social support, and the Self-Consistency and Congruence Scale were used to measure mental health. Compared with the normal referenced group of college students, higher self-flexibility scores, lower self-conflict and self-stethoscope scores from the sample group were obtained with statistical significance in self-conflict scores. The close correlations were observed between participants' social support and Self-Consistency and Congruence Scale score. The difference of Social Support Rating Scale score was significant in demographic features including years of work, marital status, only child family, and levels of cooperation with other health worker. Bedside nurses in this study show a better inner harmony, and their Self-Consistency and Congruence closely correlates with the levels of social support. Thus, it is substantial to improve inner perception of support and external factors, such as the workplace support, and offer beneficial social environment to improve the bedside nurse's sub-health symptoms and decrease the high turnover rate.

Leading at the Coal-Face: The World as Experienced by Subject Coordinators in Australian Higher Education

ERIC Educational Resources Information Center

Holt, Dale; Cohen, Lynne; Campbell-Evans, Glenda; Chang, Paul; Macdonald, Ian; McDonald, Jacquie

2013-01-01

This article is based on nationally funded research into the role, capabilities, challenges and professional development needs of subject coordinators in Australian higher education. The second of three data collection phases involved a multi-institutional survey of staff in the role of subject coordinator with the aim of understanding the role…

The reality of virtual anthropology: Comparing digitizer and laser scan data collection methods for the quantitative assessment of the cranium.

PubMed

Algee-Hewitt, Bridget F B; Wheat, Amber D

2016-05-01

The use of geometric morphometry to study cranial variation has steadily grown in appeal over the past decade in biological anthropology. Publication trends suggest that the most popular methods for three-dimensional data acquisition involve landmark-based coordinate data collection using a digitizer. Newer laser scan approaches are seeing increasing use, owing to the benefits that densely sampled data offer. While both of these methods have their utility, research that investigates their compatibility is lacking. The purpose of this project is to compare, quantitatively, craniometrics collected with a digitizer against data extracted from laser scans using the same individuals and laboratory conditions. Three-dimensional (x,y,z) coordinates and traditional inter-landmark distances (ILDs) were obtained with a Microscribe digitizer and 360° color models produced from NextEngine laser scans for 38 adult crania representing five cemeteries from the ADBOU skeletal collection in Denmark. Variance-based tests were performed to evaluate the disagreement between data collected with a digitizer and from laser scan models. Consideration was given to differences among landmarks by type, between ILDs calculated from landmark coordinates, and in morphology for the cemetery populations. Further, the reliability of laser scan data collection was assessed by intra-observer error tests. Researchers should be aware of the potential error associated with the use of Types II and III landmarks and the limitations on reliability imposed by object-to-scanner placement. This project reveals how laser scans can provide a valuable digital archive of cranial material that can be reasonably exploited for the "virtual" collection of coordinates and the calculation of ILDs. © 2015 Wiley Periodicals, Inc.

Average Nuclear Potentials from Selfconsistent Semiclassical Calculations

NASA Astrophysics Data System (ADS)

Bartel, J.

1999-03-01

Using the selfconsistent semiclassical Extended Thomas-Fermi (ETF) method up to 4th order in connection with Skyrme forces it is demonstrated that the neutron and proton average potentials obtained using the semiclassical functionals τ (ETF)[ρ] and vec {J}(ETF)[ρ] reproduce the corresponding Hartree-Fock fields extremely well, except for shell oscillations in the nuclear center.

Self-consistency in Capital Markets

NASA Astrophysics Data System (ADS)

Benbrahim, Hamid

2013-03-01

Capital Markets are considered, at least in theory, information engines whereby traders contribute to price formation with their diverse perspectives. Regardless whether one believes in efficient market theory on not, actions by individual traders influence prices of securities, which in turn influence actions by other traders. This influence is exerted through a number of mechanisms including portfolio balancing, margin maintenance, trend following, and sentiment. As a result market behaviors emerge from a number of mechanisms ranging from self-consistency due to wisdom of the crowds and self-fulfilling prophecies, to more chaotic behavior resulting from dynamics similar to the three body system, namely the interplay between equities, options, and futures. This talk will address questions and findings regarding the search for self-consistency in capital markets.

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.

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

Reaching a Consensus: Terminology and Concepts Used in Coordination and Decision-Making Research.

PubMed

Pyritz, Lennart W; King, Andrew J; Sueur, Cédric; Fichtel, Claudia

2011-12-01

Research on coordination and decision-making in humans and nonhuman primates has increased considerably throughout the last decade. However, terminology has been used inconsistently, hampering the broader integration of results from different studies. In this short article, we provide a glossary containing the central terms of coordination and decision-making research. The glossary is based on previous definitions that have been critically revised and annotated by the participants of the symposium "Where next? Coordination and decision-making in primate groups" at the XXIIIth Congress of the International Primatological Society (IPS) in Kyoto, Japan. We discuss a number of conceptual and methodological issues and highlight consequences for their implementation. In summary, we recommend that future studies on coordination and decision-making in animal groups do not use the terms "combined decision" and "democratic/despotic decision-making." This will avoid ambiguity as well as anthropocentric connotations. Further, we demonstrate the importance of 1) taxon-specific definitions of coordination parameters (initiation, leadership, followership, termination), 2) differentiation between coordination research on individual-level process and group-level outcome, 3) analyses of collective action processes including initiation and termination, and 4) operationalization of successful group movements in the field to collect meaningful and comparable data across different species.

Pentacoordinate and Hexacoordinate Mn(III) Complexes of Tetradentate Schiff-Base Ligands Containing Tetracyanidoplatinate(II) Bridges and Revealing Uniaxial Magnetic Anisotropy.

PubMed

Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk

2016-12-08

Crystal structures and magnetic properties of polymeric and trinuclear heterobimetallic Mn III ···Pt II ···Mn III coordination compounds, prepared from the Ba[Pt(CN)₄] and [Mn(L4A/B)(Cl)] ( 1a / b ) precursor complexes, are reported. The polymeric complex [{Mn(L4A)}₂{μ⁴-Pt(CN)₄}] n ( 2a ), where H₂L4A = N , N '-ethylene-bis(salicylideneiminate), comprises the {Mn(L4A)} moieties covalently connected through the [Pt(CN)₄] 2- bridges, thus forming a square-grid polymeric structure with the hexacoordinate Mn III atoms. The trinuclear complex [{Mn(L4B)}₂{μ-Pt(CN)₄}] ( 2b ), where H₂L4B = N , N '-benzene-bis(4-aminodiethylene-salicylideneiminate), consists of two [{Mn(L4B)} moieties, involving pentacoordinate Mn III atoms, bridged through the tetracyanidoplatinate (II) bridges to which they are coordinated in a trans fashion. Both complexes possess uniaxial type of magnetic anisotropy, with D (the axial parameter of zero-field splitting) = -3.7(1) in 2a and -2.2(1) cm -1 in 2b . Furthermore, the parameters of magnetic anisotropy 2a and 2b were also thoroughly studied by theoretical complete active space self-consistent field (CASSCF) methods, which revealed that the former is much more sensitive to the ligand field strength of the axial ligands.

Variationally optimal selection of slow coordinates and reaction coordinates in macromolecular systems

NASA Astrophysics Data System (ADS)

Noe, Frank

To efficiently simulate and generate understanding from simulations of complex macromolecular systems, the concept of slow collective coordinates or reaction coordinates is of fundamental importance. Here we will introduce variational approaches to approximate the slow coordinates and the reaction coordinates between selected end-states given MD simulations of the macromolecular system and a (possibly large) basis set of candidate coordinates. We will then discuss how to select physically intuitive order paremeters that are good surrogates of this variationally optimal result. These result can be used in order to construct Markov state models or other models of the stationary and kinetics properties, in order to parametrize low-dimensional / coarse-grained model of the dynamics. Deutsche Forschungsgemeinschaft, European Research Council.

Impacts of dialysis transportation on Florida's coordinated public transportation programs.

DOT National Transportation Integrated Search

2014-04-01

The National Center for Transit Research (NCTR) at the University of South Florida (USF) collected quantitative and qualitative data from Community Transportation Coordinators (CTCs) throughout Florida. An online survey and a series of personal inter...

Accuracy of the Generalized Self-Consistent Method in Modelling the Elastic Behaviour of Periodic Composites

NASA Technical Reports Server (NTRS)

Walker, Kevin P.; Freed, Alan D.; Jordan, Eric H.

1993-01-01

Local stress and strain fields in the unit cell of an infinite, two-dimensional, periodic fibrous lattice have been determined by an integral equation approach. The effect of the fibres is assimilated to an infinite two-dimensional array of fictitious body forces in the matrix constituent phase of the unit cell. By subtracting a volume averaged strain polarization term from the integral equation we effectively embed a finite number of unit cells in a homogenized medium in which the overall stress and strain correspond to the volume averaged stress and strain of the constrained unit cell. This paper demonstrates that the zeroth term in the governing integral equation expansion, which embeds one unit cell in the homogenized medium, corresponds to the generalized self-consistent approximation. By comparing the zeroth term approximation with higher order approximations to the integral equation summation, both the accuracy of the generalized self-consistent composite model and the rate of convergence of the integral summation can be assessed. Two example composites are studied. For a tungsten/copper elastic fibrous composite the generalized self-consistent model is shown to provide accurate, effective, elastic moduli and local field representations. The local elastic transverse stress field within the representative volume element of the generalized self-consistent method is shown to be in error by much larger amounts for a composite with periodically distributed voids, but homogenization leads to a cancelling of errors, and the effective transverse Young's modulus of the voided composite is shown to be in error by only 23% at a void volume fraction of 75%.

Alpha-beta coordination method for collective search

DOEpatents

Goldsmith, Steven Y.

2002-01-01

The present invention comprises a decentralized coordination strategy called alpha-beta coordination. The alpha-beta coordination strategy is a family of collective search methods that allow teams of communicating agents to implicitly coordinate their search activities through a division of labor based on self-selected roles and self-determined status. An agent can play one of two complementary roles. An agent in the alpha role is motivated to improve its status by exploring new regions of the search space. An agent in the beta role is also motivated to improve its status, but is conservative and tends to remain aggregated with other agents until alpha agents have clearly identified and communicated better regions of the search space. An agent can select its role dynamically based on its current status value relative to the status values of neighboring team members. Status can be determined by a function of the agent's sensor readings, and can generally be a measurement of source intensity at the agent's current location. An agent's decision cycle can comprise three sequential decision rules: (1) selection of a current role based on the evaluation of the current status data, (2) selection of a specific subset of the current data, and (3) determination of the next heading using the selected data. Variations of the decision rules produce different versions of alpha and beta behaviors that lead to different collective behavior properties.

Antiplane shear wave propagation in fiber-reinforced composites.

PubMed

Kim, Jin-Yeon

2003-05-01

A self-consistent method for analyzing antiplane shear wave propagation in two-dimensional inhomogeneous media is presented. For applications in the high-frequency range, the self-consistent condition for the effective medium is solved being supplemented with the theory of quasidynamic effective density. Comparisons with other theoretical calculations and experimental data for fiber-reinforced composites demonstrate the merits of using the present method.

New type of a generalized variable-coefficient Kadomtsev-Petviashvili equation with self-consistent sources and its Grammian-type solutions

NASA Astrophysics Data System (ADS)

Zhang, Yi; Xu, Yue; Ma, Kun

2016-08-01

In this paper, the variable-coefficient Kadomtsev-Petviashvili (vcKP) equation with self-consistent sources is presented by two different methods, one is the source generation procedure, the other is the Pfaffianization procedure, and the solutions for the two new coupled systems are given through Grammian-type Pfaffian determinants.

Self-consistent DFT +U method for real-space time-dependent density functional theory calculations

NASA Astrophysics Data System (ADS)

Tancogne-Dejean, Nicolas; Oliveira, Micael J. T.; Rubio, Angel

2017-12-01

We implemented various DFT+U schemes, including the Agapito, Curtarolo, and Buongiorno Nardelli functional (ACBN0) self-consistent density-functional version of the DFT +U method [Phys. Rev. X 5, 011006 (2015), 10.1103/PhysRevX.5.011006] within the massively parallel real-space time-dependent density functional theory (TDDFT) code octopus. We further extended the method to the case of the calculation of response functions with real-time TDDFT+U and to the description of noncollinear spin systems. The implementation is tested by investigating the ground-state and optical properties of various transition-metal oxides, bulk topological insulators, and molecules. Our results are found to be in good agreement with previously published results for both the electronic band structure and structural properties. The self-consistent calculated values of U and J are also in good agreement with the values commonly used in the literature. We found that the time-dependent extension of the self-consistent DFT+U method yields improved optical properties when compared to the empirical TDDFT+U scheme. This work thus opens a different theoretical framework to address the nonequilibrium properties of correlated systems.

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-consistent theory of atomic Fermi gases with a Feshbach resonance at the superfluid transition

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

Liu Xiaji; Hu Hui

2005-12-15

A self-consistent theory is derived to describe the BCS-Bose-Einstein-condensate crossover for a strongly interacting Fermi gas with a Feshbach resonance. In the theory the fluctuation of the dressed molecules, consisting of both preformed Cooper pairs and 'bare' Feshbach molecules, has been included within a self-consistent T-matrix approximation, beyond the Nozieres and Schmitt-Rink strategy considered by Ohashi and Griffin. The resulting self-consistent equations are solved numerically to investigate the normal-state properties of the crossover at various resonance widths. It is found that the superfluid transition temperature T{sub c} increases monotonically at all widths as the effective interaction between atoms becomes moremore » attractive. Furthermore, a residue factor Z{sub m} of the molecule's Green function and a complex effective mass have been determined to characterize the fraction and lifetime of Feshbach molecules at T{sub c}. Our many-body calculations of Z{sub m} agree qualitatively well with recent measurments of the gas of {sup 6}Li atoms near the broad resonance at 834 G. The crossover from narrow to broad resonances has also been studied.« less

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).

Quasiparticle self-consistent GW method for the spectral properties of complex materials.

PubMed

Bruneval, Fabien; Gatti, Matteo

2014-01-01

The GW approximation to the formally exact many-body perturbation theory has been applied successfully to materials for several decades. Since the practical calculations are extremely cumbersome, the GW self-energy is most commonly evaluated using a first-order perturbative approach: This is the so-called G 0 W 0 scheme. However, the G 0 W 0 approximation depends heavily on the mean-field theory that is employed as a basis for the perturbation theory. Recently, a procedure to reach a kind of self-consistency within the GW framework has been proposed. The quasiparticle self-consistent GW (QSGW) approximation retains some positive aspects of a self-consistent approach, but circumvents the intricacies of the complete GW theory, which is inconveniently based on a non-Hermitian and dynamical self-energy. This new scheme allows one to surmount most of the flaws of the usual G 0 W 0 at a moderate calculation cost and at a reasonable implementation burden. In particular, the issues of small band gap semiconductors, of large band gap insulators, and of some transition metal oxides are then cured. The QSGW method broadens the range of materials for which the spectral properties can be predicted with confidence.

ISCCP-B1U Geostationary Satellite VIS Channel Vicarious Calibration/Validation in support of creation of long term climate data records

NASA Astrophysics Data System (ADS)

Gopalan, A.; Doelling, D. R.; Bhatt, R.; Haney, C.; Scarino, B. R.

2017-12-01

The International Satellite Cloud Climatology Project (ISCCP) provides a 40-year geostationary (GEO) imager record from satellites worldwide of 3-hourly cloud properties and surface reflectances. ISCCP B1 data archived at the National Climatic Data Center (NCDC) are a collection of measurements from imagers on international GEO meteorological satellites which are sampled to approximately 10-km and at 3-hour intervals. ISCCP coordinated the ingestion of 3-hour geostationary imager pixel level radiances and placed them in a common and consistent unified format (ISCCP-B1U) across GEO imagers and archived the datasets at NCDC for future reprocessing efforts. The GEO imagers in the B1U record lacked onboard calibration to monitor the temporal stability of the visible channel. Consistent calibration of the B1U GEO imager record opens up the potential for their use in global climate studies. The NASA CERES project released the Edition4 products, where the GEO imager calibration has been referenced to the Aqua-MODIS band-1 Collection 6 calibration. This was done by matching coincident GEO and MODIS radiance pairs to transfer the MODIS calibration. This primary method was then validated by the independent vicarious calibration methods using invariant desert and deep convective cloud (DCC) targets. In this study we extend these vicarious methods to the historical ISCCP-B1U format GEO record going back from 2000-1978 while addressing some of the challenges viz. the short historical GEO imager lifetimes, spurious imagery, non-stationary VIS channel space counts, data source processing differences, inadequate spectral response function characterization and possible wavelength dependent degradations. Another challenge, is the occasional abrupt calibration gain discontinuities in time, these are validated by tracking the brightest pixels over time. We discuss the methodology used to address some of the challenges and present results from the two independent vicarious calibration approaches that are then merged according to their respective uncertainties to obtain optimal and self-consistent calibration gain timelines for the various GEO sensors in the historical record in support of global climate change studies

Coordinated garbage collection for raid array of solid state disks

DOEpatents

Dillow, David A; Ki, Youngjae; Oral, Hakki S; Shipman, Galen M; Wang, Feiyi

2014-04-29

An optimized redundant array of solid state devices may include an array of one or more optimized solid-state devices and a controller coupled to the solid-state devices for managing the solid-state devices. The controller may be configured to globally coordinate the garbage collection activities of each of said optimized solid-state devices, for instance, to minimize the degraded performance time and increase the optimal performance time of the entire array of devices.

Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source

PubMed Central

Reddy, Hemanth K.N.; Yoon, Chun Hong; Aquila, Andrew; Awel, Salah; Ayyer, Kartik; Barty, Anton; Berntsen, Peter; Bielecki, Johan; Bobkov, Sergey; Bucher, Maximilian; Carini, Gabriella A.; Carron, Sebastian; Chapman, Henry; Daurer, Benedikt; DeMirci, Hasan; Ekeberg, Tomas; Fromme, Petra; Hajdu, Janos; Hanke, Max Felix; Hart, Philip; Hogue, Brenda G.; Hosseinizadeh, Ahmad; Kim, Yoonhee; Kirian, Richard A.; Kurta, Ruslan P.; Larsson, Daniel S.D.; Duane Loh, N.; Maia, Filipe R.N.C.; Mancuso, Adrian P.; Mühlig, Kerstin; Munke, Anna; Nam, Daewoong; Nettelblad, Carl; Ourmazd, Abbas; Rose, Max; Schwander, Peter; Seibert, Marvin; Sellberg, Jonas A.; Song, Changyong; Spence, John C.H.; Svenda, Martin; Van der Schot, Gijs; Vartanyants, Ivan A.; Williams, Garth J.; Xavier, P. Lourdu

2017-01-01

Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65–70 nm, which is considerably smaller than the previously reported ~600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. The data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency. PMID:28654088

Generalized vibrating potential model for collective excitations in spherical, deformed and superdeformed systems: (1) Atomic nuclei, (2) Metal clusters

NASA Astrophysics Data System (ADS)

Nesterenko, V. O.; Kleinig, W.

1995-01-01

The self-consistent vibrating potential model (VPM) is extended for description of Eλ collective excitations in atomic nuclei and metal clusters with practically any kind of static deformation. The model is convenient for a qualitative analysis and provides the RPA accuracy of numerical calculations. The VPM is applied to study Eλ giant resonances in spherical metal clusters and deformed and superdeformed nuclei. It is shown that the deformation splitting of superdeformed nuclei results in a very complicated ("jungle-like") structure of the resonances, which makes the experimental observation of E2 and E3 giant resonances in superdeformed nuclei quite problematic. Calculations of E1 giant resonances in spherical sodium clusters Na8, Na20 and Na40 are presented, as a test of the VPM in this field. The results are in qualitative agreement with the experimental data.

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

Franović, Igor, E-mail: franovic@ipb.ac.rs; Todorović, Kristina; Burić, Nikola

We use the mean-field approach to analyze the collective dynamics in macroscopic networks of stochastic Fitzhugh-Nagumo units with delayed couplings. The conditions for validity of the two main approximations behind the model, called the Gaussian approximation and the Quasi-independence approximation, are examined. It is shown that the dynamics of the mean-field model may indicate in a self-consistent fashion the parameter domains where the Quasi-independence approximation fails. Apart from a network of globally coupled units, we also consider the paradigmatic setup of two interacting assemblies to demonstrate how our framework may be extended to hierarchical and modular networks. In both cases,more » the mean-field model can be used to qualitatively analyze the stability of the system, as well as the scenarios for the onset and the suppression of the collective mode. In quantitative terms, the mean-field model is capable of predicting the average oscillation frequency corresponding to the global variables of the exact system.« less

Coherent soft X-ray diffraction imaging of coliphage PR772 at the Linac coherent light source.

PubMed

Reddy, Hemanth K N; Yoon, Chun Hong; Aquila, Andrew; Awel, Salah; Ayyer, Kartik; Barty, Anton; Berntsen, Peter; Bielecki, Johan; Bobkov, Sergey; Bucher, Maximilian; Carini, Gabriella A; Carron, Sebastian; Chapman, Henry; Daurer, Benedikt; DeMirci, Hasan; Ekeberg, Tomas; Fromme, Petra; Hajdu, Janos; Hanke, Max Felix; Hart, Philip; Hogue, Brenda G; Hosseinizadeh, Ahmad; Kim, Yoonhee; Kirian, Richard A; Kurta, Ruslan P; Larsson, Daniel S D; Duane Loh, N; Maia, Filipe R N C; Mancuso, Adrian P; Mühlig, Kerstin; Munke, Anna; Nam, Daewoong; Nettelblad, Carl; Ourmazd, Abbas; Rose, Max; Schwander, Peter; Seibert, Marvin; Sellberg, Jonas A; Song, Changyong; Spence, John C H; Svenda, Martin; Van der Schot, Gijs; Vartanyants, Ivan A; Williams, Garth J; Xavier, P Lourdu

2017-06-27

Single-particle diffraction from X-ray Free Electron Lasers offers the potential for molecular structure determination without the need for crystallization. In an effort to further develop the technique, we present a dataset of coherent soft X-ray diffraction images of Coliphage PR772 virus, collected at the Atomic Molecular Optics (AMO) beamline with pnCCD detectors in the LAMP instrument at the Linac Coherent Light Source. The diameter of PR772 ranges from 65-70 nm, which is considerably smaller than the previously reported ~600 nm diameter Mimivirus. This reflects continued progress in XFEL-based single-particle imaging towards the single molecular imaging regime. The data set contains significantly more single particle hits than collected in previous experiments, enabling the development of improved statistical analysis, reconstruction algorithms, and quantitative metrics to determine resolution and self-consistency.

Intra- and inter-group coordination patterns reveal collective behaviors of football players near the scoring zone.

PubMed

Duarte, Ricardo; Araújo, Duarte; Freire, Luís; Folgado, Hugo; Fernandes, Orlando; Davids, Keith

2012-12-01

This study examined emergent coordination processes in collective patterns of behavior in 3 vs 3 sub-phases of the team sport of association football near the scoring zone. We identified coordination tendencies for the centroid (i.e., team center) and surface area (i.e., occupied space) of each sub-group of performers (n=20 plays). We also compared these kinematic variables at three key moments of play using mixed-model ANOVAs. The centroids demonstrated a strong symmetric relation that described the coordinated attacking/defending actions of performers in this sub-phase of play. Conversely, analysis of the surface area of each team did not reveal a clear coordination pattern between sub-groups. But the difference in the occupied area between the attacking and defending sub-groups significantly increased over time. Findings emphasized that major changes in sub-group behaviors occurred just before an assisted pass was made (i.e., leading to a loss of stability in the 3 vs 3 sub-phases). Copyright © 2012 Elsevier B.V. All rights reserved.

Operationalizing Heedful Interrelating: How Attending, Responding, and Feeling Comprise Coordinating and Predict Performance in Self-Managing Teams.

PubMed

Stephens, John Paul; Lyddy, Christopher J

2016-01-01

Team coordination implies a system of individual behavioral contributions occurring within a network of interpersonal relationships to achieve a collective goal. Current research on coordination has emphasized its relational aspects, but has not adequately accounted for how team members also simultaneously manage individual behavioral contributions and represent the whole system of the team's work. In the current study, we develop theory and test how individuals manage all three aspects of coordinating through the three facets described in the theory of heedful interrelating. We operationalize the facet of contributing as distributing attention between self and others, subordinating as responsively communicating, and representing as feeling the system of the team's work as a cohesive whole. We then test the relationships among these facets and their influence on team performance in an experiment with 50 ad hoc triads of undergraduate student self-managing teams tasked with collectively composing a song in the lab. In analyzing thin-slices of video data of these teams' coordination, we found that teams with members displaying greater dispersion of attentional distribution and more responsive communicating experienced a stronger feeling of the team as a whole. Responsive communication also predicted team performance. Accounting for how the three aspects of coordinating are managed by individual team members provides a more critical understanding of heedful interrelating, and insight into emergent coordination processes.

Operationalizing Heedful Interrelating: How Attending, Responding, and Feeling Comprise Coordinating and Predict Performance in Self-Managing Teams

PubMed Central

Stephens, John Paul; Lyddy, Christopher J.

2016-01-01

Team coordination implies a system of individual behavioral contributions occurring within a network of interpersonal relationships to achieve a collective goal. Current research on coordination has emphasized its relational aspects, but has not adequately accounted for how team members also simultaneously manage individual behavioral contributions and represent the whole system of the team's work. In the current study, we develop theory and test how individuals manage all three aspects of coordinating through the three facets described in the theory of heedful interrelating. We operationalize the facet of contributing as distributing attention between self and others, subordinating as responsively communicating, and representing as feeling the system of the team's work as a cohesive whole. We then test the relationships among these facets and their influence on team performance in an experiment with 50 ad hoc triads of undergraduate student self-managing teams tasked with collectively composing a song in the lab. In analyzing thin-slices of video data of these teams' coordination, we found that teams with members displaying greater dispersion of attentional distribution and more responsive communicating experienced a stronger feeling of the team as a whole. Responsive communication also predicted team performance. Accounting for how the three aspects of coordinating are managed by individual team members provides a more critical understanding of heedful interrelating, and insight into emergent coordination processes. PMID:27047407

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Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-13

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Self-consistent Formulation of EBW Excitation by Mode Conversion

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

Bers, Abraham; Decker, Joan

2005-09-26

Based upon a FLR-hydrodynamic formulation for high frequency waves in a collisionless plasma, we formulate the self-consistent, coupled set of ordinary differential equations whose solution gives the mode conversion of O- and/or X-waves at an angle to B0 to electron Bernstein waves (EBW) at the upper-hybrid resonance UHR layer occurring at the edge of an ST plasma.

75 FR 57737 - Notice of Request for Approval of an Information Collection; National Veterinary Services...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-22

...] Notice of Request for Approval of an Information Collection; National Veterinary Services Laboratories... Service's intention to request approval of an information collection associated with National Veterinary...' Information Collection Coordinator, at (301) 851-2908. SUPPLEMENTARY INFORMATION: Title: National Veterinary...

Analysis For Monitoring the Earth Science Afternoon Constellation

NASA Technical Reports Server (NTRS)

Demarest, Peter; Richon, Karen V.; Wright, Frank

2005-01-01

The Earth Science Afternoon Constellation consists of Aqua, Aura, PARASOL, CALIPSO, Cloudsat, and the Orbiting Carbon Observatory (OCO). The coordination of flight dynamics activities between these missions is critical to the safety and success of the Afternoon Constellation. This coordination is based on two main concepts, the control box and the zone-of-exclusion. This paper describes how these two concepts are implemented in the Constellation Coordination System (CCS). The CCS is a collection of tools that enables the collection and distribution of flight dynamics products among the missions, allows cross-mission analyses to be performed through a web-based interface, performs automated analyses to monitor the overall constellation, and notifies the missions of changes in the status of the other missions.

A method for topological analysis of high nuclearity coordination clusters and its application to Mn coordination compounds.

PubMed

Kostakis, George E; Blatov, Vladislav A; Proserpio, Davide M

2012-04-21

A novel method for the topological description of high nuclearity coordination clusters (CCs) was improved and applied to all compounds containing only manganese as a metal center, the data on which are collected in the CCDC (CCDC 5.33 Nov. 2011). Using the TOPOS program package that supports this method, we identified 539 CCs with five or more Mn centers adopting 159 topologically different graphs. In the present database all the Mn CCs are collected and illustrated in such a way that can be searched by cluster topological symbol and nuclearity, compound name and Refcode. The main principles for such an analysis are described herein as well as useful applications of this method.

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

On the Debye-Hückel effect of electric screening

NASA Astrophysics Data System (ADS)

Campos, L. M. B. C.; Lau, F. J. P.

2014-07-01

The paper considers non-linear self-consistent electric potential equation (Sec. I), due to a cloud made of a single species of electric charges, satisfying a Boltzmann distribution law (Sec. II). Exact solutions are obtained in a simple logarithmic form, in three cases: (Sec. III) spherical radial symmetry; (Sec. IV) plane parallel symmetry; (Sec. V) a special case of azimuthal-cylindrical symmetry. All these solutions, and their transformations (Sec. VI), involve the Debye-Hückel radius; the latter was originally defined from a solution of the linearized self-consistent potential equation. Using an exact solution of the self-consistent potential equation, the distance at which the potential vanishes differs from the Debye-Hückel radius by a factor of √2 . The preceding (Secs. II-VI) simple logarithmic exact solutions of the self-consistent potential equations involve no arbitrary constants, and thus are special or singular integrals not the general integral. The general solution of the self-consistent potential equation is obtained in the plane parallel case (Sec. VII), and it involves two arbitrary constants that can be reduced to one via a translation (Sec. VIII). The plots of dimensionless potential (Figure 1), electric field (Figure 2), charge density (Figure 3), and total charge between ζ and infinity (Figure 4), versus distance normalized to Debye-Hückel radius ζ ≡ z/a, show that (Sec. IX) there is a continuum of solutions, ranging from a charge distribution concentrated inside the Debye-Hückel radius to one spread-out beyond it. The latter case leads to the limiting case of logarithmic potential, and stronger electric field; the former case, of very concentrated charge distribution, leads to a fratricide effect and weaker electric field.

Validation of a coupled core-transport, pedestal-structure, current-profile and equilibrium model

NASA Astrophysics Data System (ADS)

Meneghini, O.

2015-11-01

The first workflow capable of predicting the self-consistent solution to the coupled core-transport, pedestal structure, and equilibrium problems from first-principles and its experimental tests are presented. Validation with DIII-D discharges in high confinement regimes shows that the workflow is capable of robustly predicting the kinetic profiles from on axis to the separatrix and matching the experimental measurements to within their uncertainty, with no prior knowledge of the pedestal height nor of any measurement of the temperature or pressure. Self-consistent coupling has proven to be essential to match the experimental results, and capture the non-linear physics that governs the core and pedestal solutions. In particular, clear stabilization of the pedestal peeling ballooning instabilities by the global Shafranov shift and destabilization by additional edge bootstrap current, and subsequent effect on the core plasma profiles, have been clearly observed and documented. In our model, self-consistency is achieved by iterating between the TGYRO core transport solver (with NEO and TGLF for neoclassical and turbulent flux), and the pedestal structure predicted by the EPED model. A self-consistent equilibrium is calculated by EFIT, while the ONETWO transport package evolves the current profile and calculates the particle and energy sources. The capabilities of such workflow are shown to be critical for the design of future experiments such as ITER and FNSF, which operate in a regime where the equilibrium, the pedestal, and the core transport problems are strongly coupled, and for which none of these quantities can be assumed to be known. Self-consistent core-pedestal predictions for ITER, as well as initial optimizations, will be presented. Supported by the US Department of Energy under DE-FC02-04ER54698, DE-SC0012652.

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

On the Debye–Hückel effect of electric screening

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

Campos, L. M. B. C.; Lau, F. J. P.

2014-07-15

The paper considers non-linear self-consistent electric potential equation (Sec. I), due to a cloud made of a single species of electric charges, satisfying a Boltzmann distribution law (Sec. II). Exact solutions are obtained in a simple logarithmic form, in three cases: (Sec. III) spherical radial symmetry; (Sec. IV) plane parallel symmetry; (Sec. V) a special case of azimuthal-cylindrical symmetry. All these solutions, and their transformations (Sec. VI), involve the Debye-Hückel radius; the latter was originally defined from a solution of the linearized self-consistent potential equation. Using an exact solution of the self-consistent potential equation, the distance at which the potentialmore » vanishes differs from the Debye-Hückel radius by a factor of √(2). The preceding (Secs. II–VI) simple logarithmic exact solutions of the self-consistent potential equations involve no arbitrary constants, and thus are special or singular integrals not the general integral. The general solution of the self-consistent potential equation is obtained in the plane parallel case (Sec. VII), and it involves two arbitrary constants that can be reduced to one via a translation (Sec. VIII). The plots of dimensionless potential (Figure 1), electric field (Figure 2), charge density (Figure 3), and total charge between ζ and infinity (Figure 4), versus distance normalized to Debye-Hückel radius ζ ≡ z/a, show that (Sec. IX) there is a continuum of solutions, ranging from a charge distribution concentrated inside the Debye-Hückel radius to one spread-out beyond it. The latter case leads to the limiting case of logarithmic potential, and stronger electric field; the former case, of very concentrated charge distribution, leads to a fratricide effect and weaker electric field.« less

Variations in data collection can influence outcome measures of BMI measuring programmes.

PubMed

Townsend, Nick; Rutter, Harry; Foster, Charlie

2011-10-01

The World Health Organization (WHO) promotes the surveillance of obesity prevalence through standardized and harmonized surveillance systems. However, variations in data collection between countries, or between coordinating regions in countries can affect outcome measures. Multilevel analysis of 2007/08 National Child Measurement Programme (NCMP) data estimating the relationship between BMI z-score and data collection variations within coordinating regions whilst adjusting for individual-level and school-level variables. The 2007/08 NCMP collected height and weight measurements for 478,381 Reception year pupils (4-5-year-olds) and 496,297 year 6 pupils (10-11-year-olds) from 17,279 primary schools in 152 data collection coordinating regions in England. Data collection variables accounted for 29.7% of the regional variation in BMI z-score for Reception year pupils but only 5.3% for the older Year 6 pupils. Digit preference in the rounding of weight measurements had the greatest impact of all the data collection variables, explaining 26.4% of the regional variation in BMI z-score for Reception year pupils and 4.0% for Year 6 pupils. Although variations in data collection may have a small effect on individual measurements their impact can be magnified when scaled up to regional or national figures. All measurement programmes must regularly identify and minimize variations in data collection to improve accuracy of outcome measures. These factors include those identified within this study: participation and opt out rates, the time in the year the measurements are taken and the recording of measurements to the correct decimal place.

76 FR 10367 - Agency Information Collection Request; 60-Day Public Comment Request

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.... Proposed Project: Research Evaluation and Impact Assessment of ARRA Comparative Effectiveness Research... under real-world conditions in diverse populations and clinical practice settings, that is, comparative... Coordinating Council on Comparative Effectiveness Research (FCCCER) to help coordinate and minimize duplicative...

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UTM Well Coordinates for the Boise Hydrogeophysical Research Site (BHRS)

DOE Data Explorer

Lim, David

2014-12-19

A series of oscillatory pumping tests were performed at the BHRS. The data collected from these wells will be used to tomographically image the shallow subsurface. This excel file only contains well coordinates for all wells at the Boise site.

76 FR 13200 - Agency Information Collection Activities: Proposed Collection; Comment Request, 1660-0062; State...

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2011-03-10

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Some aspects of self-consistent higher-order interactions

NASA Astrophysics Data System (ADS)

Sakamoto, Hideo

2018-05-01

After a brief review of the formalism of the self-consistent higher-order interactions, applications of a ([Q 3 Q 3](2) · Q 2) type of three-body interaction to the quadrupole moment of the 3‑ state in 208Pb and the energy splitting of the septuplet of states (h 9/23‑)I with I = 3/2, 5/2, …, 15/2 in 209Bi are discussed. It is shown that if the contribution of the three-body interaction is included, the theoretical value of the Qel (3‑) moment becomes rather small compared to the experiment, but the observed small energy splitting of the septuplet can essentially be understood within the particle-vibration coupling model. Roles of non-linear field couplings provided by the self-consistent higher-order interactions are also discussed.

The ideas behind self-consistent expansion

NASA Astrophysics Data System (ADS)

Schwartz, Moshe; Katzav, Eytan

2008-04-01

In recent years we have witnessed a growing interest in various non-equilibrium systems described in terms of stochastic nonlinear field theories. In some of those systems, like KPZ and related models, the interesting behavior is in the strong coupling regime, which is inaccessible by traditional perturbative treatments such as dynamical renormalization group (DRG). A useful tool in the study of such systems is the self-consistent expansion (SCE), which might be said to generate its own 'small parameter'. The self-consistent expansion (SCE) has the advantage that its structure is just that of a regular expansion, the only difference is that the simple system around which the expansion is performed is adjustable. The purpose of this paper is to present the method in a simple and understandable way that hopefully will make it accessible to a wider public working on non-equilibrium statistical physics.

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.

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 3 2010-01-01 2010-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 3 2011-01-01 2011-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 3 2013-01-01 2013-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 3 2012-01-01 2012-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 3 2014-01-01 2014-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

Spatio-temporal hierarchy in the dynamics of a minimalist protein model

NASA Astrophysics Data System (ADS)

Matsunaga, Yasuhiro; Baba, Akinori; Li, Chun-Biu; Straub, John E.; Toda, Mikito; Komatsuzaki, Tamiki; Berry, R. Stephen

2013-12-01

A method for time series analysis of molecular dynamics simulation of a protein is presented. In this approach, wavelet analysis and principal component analysis are combined to decompose the spatio-temporal protein dynamics into contributions from a hierarchy of different time and space scales. Unlike the conventional Fourier-based approaches, the time-localized wavelet basis captures the vibrational energy transfers among the collective motions of proteins. As an illustrative vehicle, we have applied our method to a coarse-grained minimalist protein model. During the folding and unfolding transitions of the protein, vibrational energy transfers between the fast and slow time scales were observed among the large-amplitude collective coordinates while the other small-amplitude motions are regarded as thermal noise. Analysis employing a Gaussian-based measure revealed that the time scales of the energy redistribution in the subspace spanned by such large-amplitude collective coordinates are slow compared to the other small-amplitude coordinates. Future prospects of the method are discussed in detail.

Self-consistent RPA calculations with Skyrme-type interactions: The skyrme_rpa program

NASA Astrophysics Data System (ADS)

Colò, Gianluca; Cao, Ligang; Van Giai, Nguyen; Capelli, Luigi

2013-01-01

Random Phase Approximation (RPA) calculations are nowadays an indispensable tool in nuclear physics studies. We present here a complete version implemented with Skyrme-type interactions, with the spherical symmetry assumption, that can be used in cases where the effects of pairing correlations and of deformation can be ignored. The full self-consistency between the Hartree-Fock mean field and the RPA excitations is enforced, and it is numerically controlled by comparison with energy-weighted sum rules. The main limitations are that charge-exchange excitations and transitions involving spin operators are not included in this version. Program summaryProgram title: skyrme_rpa (v 1.00) Catalogue identifier: AENF_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AENF_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5531 No. of bytes in distributed program, including test data, etc.: 39435 Distribution format: tar.gz Programming language: FORTRAN-90/95; easily downgradable to FORTRAN-77. Computer: PC with Intel Celeron, Intel Pentium, AMD Athlon and Intel Core Duo processors. Operating system: Linux, Windows. RAM: From 4 MBytes to 150 MBytes, depending on the size of the nucleus and of the model space for RPA. Word size: The code is written with a prevalent use of double precision or REAL(8) variables; this assures 15 significant digits. Classification: 17.24. Nature of problem: Systematic observations of excitation properties in finite nuclear systems can lead to improved knowledge of the nuclear matter equation of state as well as a better understanding of the effective interaction in the medium. This is the case of the nuclear giant resonances and low-lying collective excitations, which can be described as small amplitude collective motions in the framework of the Random Phase Approximation (RPA). This work provides a tool where one starts from an assumed form of nuclear effective interaction (the Skyrme forces) and builds the self-consistent Hartree-Fock mean field of a given nucleus, and then the RPA multipole excitations of that nucleus. Solution method: The Hartree-Fock (HF) equations are solved in a radial mesh, using a Numerov algorithm. The solutions are iterated until self-consistency is achieved (in practice, when the energy eigenvalues are stable within a desired accuracy). In the obtained mean field, unoccupied states necessary for the RPA calculations are found. For all single-particle states, box boundary conditions are assumed. To solve the RPA problem for a given value of total angular momentum and parity Jπ a coupled basis is constructed and the RPA matrix is diagonalized (protons and neutrons are treated explicitly, and no approximation related to the use of isospin formalism is introduced). The transition amplitudes and transition strengths associated to given external operators are calculated. The HF densities and RPA transition densities are also evaluated. Restrictions: The main restrictions are related to the assumed spherical symmetry and absence of pairing correlations. Running time: The typical running time depends strongly on the nucleus, on the multipolarity, on the choice of the model space and of course on the computer. It can vary from a few minutes to several hours.

Self-Consistent Ring Current Modeling with Propagating Electromagnetic Ion Cyclotron Waves in the Presence of Heavy Ions

NASA Technical Reports Server (NTRS)

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

2006-01-01

The self-consistent treatment of the RC ion dynamics and EMlC waves, which are thought to exert important influences on the ion dynamical evolution, is an important missing element in our understanding of the storm-and recovery-time ring current evolution. Under certain conditions, relativistic electrons, with energies greater than or equal to 1 MeV, can be removed from the outer radiation belt by EMlC wave scattering during a magnetic storm (Summers and Thorne, 2003; Albert, 2003). That is why the modeling of EMlC waves is critical and timely issue in magnetospheric physics. This study will generalize the self-consistent theoretical description of RC ions and EMlC waves that has been developed by Khazanov et al. [2002, 2003] and include the heavy ions and propagation effects of EMlC waves in the global dynamic of self-consistent RC - EMlC waves coupling. The results of our newly developed model that will be presented at Huntsville 2006 meeting, focusing mainly on the dynamic of EMlC waves and comparison of these results with the previous global RC modeling studies devoted to EMlC waves formation. We also discuss RC ion precipitations and wave induced thermal electron fluxes into the ionosphere.

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.

Genarris: Random generation of molecular crystal structures and fast screening with a Harris approximation

NASA Astrophysics Data System (ADS)

Li, Xiayue; Curtis, Farren S.; Rose, Timothy; Schober, Christoph; Vazquez-Mayagoitia, Alvaro; Reuter, Karsten; Oberhofer, Harald; Marom, Noa

2018-06-01

We present Genarris, a Python package that performs configuration space screening for molecular crystals of rigid molecules by random sampling with physical constraints. For fast energy evaluations, Genarris employs a Harris approximation, whereby the total density of a molecular crystal is constructed via superposition of single molecule densities. Dispersion-inclusive density functional theory is then used for the Harris density without performing a self-consistency cycle. Genarris uses machine learning for clustering, based on a relative coordinate descriptor developed specifically for molecular crystals, which is shown to be robust in identifying packing motif similarity. In addition to random structure generation, Genarris offers three workflows based on different sequences of successive clustering and selection steps: the "Rigorous" workflow is an exhaustive exploration of the potential energy landscape, the "Energy" workflow produces a set of low energy structures, and the "Diverse" workflow produces a maximally diverse set of structures. The latter is recommended for generating initial populations for genetic algorithms. Here, the implementation of Genarris is reported and its application is demonstrated for three test cases.

Particle creation phenomenology, Dirac sea and the induced Weyl and Einstein-dilaton gravity

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

Berezin, V.A.; Dokuchaev, V.I.; Eroshenko, Yu.N., E-mail: berezin@inr.ac.ru, E-mail: dokuchaev@inr.ac.ru, E-mail: eroshenko@inr.ac.ru

We constructed the conformally invariant model for scalar particle creation induced by strong gravitational fields. Starting from the 'usual' hydrodynamical description of the particle motion written in the Eulerian coordinates we substituted the particle number conservation law (which enters the formalism) by 'the particle creation law', proportional to the square of the Weyl tensor (following the famous result by Ya.B. Zel'dovich and A.A. Starobinsky). Then, demanding the conformal invariance of the whole dynamical system, we have got both the (Weyl)-conformal gravity and the Einstein-Hilbert gravity action integral with dilaton field. Thus, we obtained something like the induced gravity suggested firstmore » by A.D. Sakharov. It is shown that the resulting system is self-consistent. We considered also the vacuum equations. It is shown that, beside the 'empty vacuum', there may exist the 'dynamical vacuum', which is nothing more but the Dirac sea. The latter is described by the unexpectedly elegant equation which includes both the Bach and Einstein tensors and the cosmological terms.« less

77 FR 69497 - Notice of Submission of Proposed Information Collection to OMB; Funding Availability for OneCPD...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-19

... Proposed Information Collection to OMB; Funding Availability for OneCPD Technical Assistance and Capacity..., prevent and reduce homelessness, improve data collection and reporting, and use coordinated neighborhood... increase the supply of affordable housing units, prevent and reduce homelessness, improve data collection...

29 CFR 42.21 - Data collection.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 29 Labor 1 2013-07-01 2013-07-01 false Data collection. 42.21 Section 42.21 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.21 Data collection. (a) For each protective statute, ESA, OSHA, and the Office of the Solicitor (SOL) shall regularly collect statistical data reflecting their...

29 CFR 42.21 - Data collection.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 29 Labor 1 2012-07-01 2012-07-01 false Data collection. 42.21 Section 42.21 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.21 Data collection. (a) For each protective statute, ESA, OSHA, and the Office of the Solicitor (SOL) shall regularly collect statistical data reflecting their...

29 CFR 42.21 - Data collection.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 29 Labor 1 2014-07-01 2013-07-01 true Data collection. 42.21 Section 42.21 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.21 Data collection. (a) For each protective statute, ESA, OSHA, and the Office of the Solicitor (SOL) shall regularly collect statistical data reflecting their...

29 CFR 42.21 - Data collection.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 29 Labor 1 2011-07-01 2011-07-01 false Data collection. 42.21 Section 42.21 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.21 Data collection. (a) For each protective statute, ESA, OSHA, and the Office of the Solicitor (SOL) shall regularly collect statistical data reflecting their...

29 CFR 42.21 - Data collection.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 29 Labor 1 2010-07-01 2010-07-01 true Data collection. 42.21 Section 42.21 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.21 Data collection. (a) For each protective statute, ESA, OSHA, and the Office of the Solicitor (SOL) shall regularly collect statistical data reflecting their...

Ab initio simulations of the dynamic ion structure factor of warm dense lithium

DOE PAGES

Witte, B. B. L.; Shihab, M.; Glenzer, S. H.; ...

2017-04-06

Here, we present molecular dynamics simulations based on finite-temperature density functional theory that determine self-consistently the dynamic ion structure factor and the electronic form factor in lithium. Our comprehensive data set allows for the calculation of the dispersion relation for collective excitations, the calculation of the sound velocity, and the determination of the ion feature from the total electronic form factor and the ion structure factor. The results are compared with available experimental x-ray and neutron scattering data. Good agreement is found for both the liquid metal and warm dense matter domain. Finally, we study the impact of possible targetmore » inhomogeneities on x-ray scattering spectra.« less

Ab initio simulations of the dynamic ion structure factor of warm dense lithium

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

Witte, B. B. L.; Shihab, M.; Glenzer, S. H.

Here, we present molecular dynamics simulations based on finite-temperature density functional theory that determine self-consistently the dynamic ion structure factor and the electronic form factor in lithium. Our comprehensive data set allows for the calculation of the dispersion relation for collective excitations, the calculation of the sound velocity, and the determination of the ion feature from the total electronic form factor and the ion structure factor. The results are compared with available experimental x-ray and neutron scattering data. Good agreement is found for both the liquid metal and warm dense matter domain. Finally, we study the impact of possible targetmore » inhomogeneities on x-ray scattering spectra.« less

Quantum field theory and the linguistic Minimalist Program: a remarkable isomorphism

NASA Astrophysics Data System (ADS)

Piattelli-Palmarini, M.; Vitiello, G.

2017-08-01

By resorting to recent results, we show that an isomorphism exist between linguistic features of the Minimalist Program and the quantum field theory formalism of condensed matter physics. Specific linguistic features which admit a representation in terms of the many-body algebraic formalism are the unconstrained nature of recursive Merge, the operation of the Labeling Algorithm, the difference between pronounced and un-pronounced copies of elements in a sentence and the build-up of the Fibonacci sequence in the syntactic derivation of sentence structures. The collective dynamical nature of the formation process of Logical Forms leading to the individuation of the manifold of concepts and the computational self-consistency of languages are also discussed.

Optical potentials for nuclear level structures and nucleon interactions data of tin isotopes based on the soft-rotator model

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

Lee, Jeong-Yeon; Hahn, Insik; Kim, Yeongduk

2009-06-15

The soft-rotator model is applied to self-consistent analyses of the nuclear level structures and the nucleon interaction data of the even-even Sn isotopes, {sup 116}Sn, {sup 118}Sn, {sup 120}Sn, and {sup 122}Sn. The model successfully describes low-lying collective levels of these isotopes, which exhibit neither typical rotational nor harmonic vibrational structures. The experimental nucleon interaction data--total neutron cross sections, proton reaction cross sections, and nucleon elastic and inelastic scattering data--are well described up to 200 MeV in a coupled-channels optical model approach. For the calculations, nuclear wave functions for the Sn isotopes are taken from the nonaxial soft-rotator model withmore » the model parameters adjusted to fit the measured low-lying collective level structures. We find that the {beta}{sub 2} and {beta}{sub 3} deformations for incident protons are larger than those for incident neutrons by {approx}15%, which is clear evidence of the deviation from the pure collective model for these isotopes.« less

Identifying and collecting pertinent medical records for centralized abstraction in a multi-center randomized clinical trial: the model used by the American College of Radiology arm of the National Lung Screening Trial.

PubMed

Gareen, Ilana F; Sicks, JoRean D; Jain, Amanda Adams; Moline, Denise; Coffman-Kadish, Nancy

2013-01-01

In clinical trials and epidemiologic studies, information on medical care utilization and health outcomes is often obtained from medical records. For multi-center studies, this information may be gathered by personnel at individual sites or by staff at a central coordinating center. We describe the process used to develop a HIPAA-compliant centralized process to collect medical record information for a large multi-center cancer screening trial. The framework used to select, request, and track medical records incorporated a participant questionnaire with unique identifiers for each medical provider. De-identified information from the questionnaires was sent to the coordinating center indexed by these identifiers. The central coordinating center selected specific medical providers for abstraction and notified sites using these identifiers. The site personnel then linked the identifiers with medical provider information. Staff at the sites collected medical records and provided them for central abstraction. Medical records were successfully obtained and abstracted to ascertain information on outcomes and health care utilization in a study with over 18,000 study participants. Collection of records required for outcomes related to positive screening examinations and lung cancer diagnosis exceeded 90%. Collection of records for all aims was 87.32%. We designed a successful centralized medical record abstraction process that may be generalized to other research settings, including observational studies. The coordinating center received no identifying data. The process satisfied requirements imposed by the Health Insurance Portability and Accountability Act and concerns of site institutional review boards with respect to protected health information. Copyright © 2012 Elsevier Inc. All rights reserved.

Identifying and collecting pertinent medical records for centralized abstraction in a multi-center randomized clinical trial: The model used by the American College of Radiology arm of the National Lung Screening Trial

PubMed Central

Gareen, Ilana F.; Sicks, JoRean; Adams, Amanda; Moline, Denise; Coffman-Kadish, Nancy

2012-01-01

Background In clinical trials and epidemiologic studies, information on medical care utilization and health outcomes is often obtained from medical records. For multi-center studies, this information may be gathered by personnel at individual sites or by staff at a central coordinating center. We describe the process used to develop a HIPAA-compliant centralized process to collect medical record information for a large multi-center cancer screening trial. Methods The framework used to select, request, and track medical records incorporated a participant questionnaire with unique identifiers for each medical provider. De-identified information from the questionnaires was sent to the coordinating center indexed by these identifiers. The central coordinating center selected specific medical providers for abstraction and notified sites using these identifiers. The site personnel then linked the identifiers with medical provider information. Staff at the sites collected medical records and provided them for central abstraction. Results Medical records were successfully obtained and abstracted to ascertain information on outcomes and health care utilization in a study with over 18,000 study participants. Collection of records required for outcomes related to positive screening examinations and lung cancer diagnosis exceeded 90%. Collection of records for all aims was 87.32%. Conclusions We designed a successful centralized medical record abstraction process that may be generalized to other research settings, including observational studies. The coordinating center received no identifying data. The process satisfied requirements imposed by the Health Insurance Portability and Accountability Act and concerns of site institutional review boards with respect to protected health information. PMID:22982342

The operating room charge nurse: coordinator and communicator.

PubMed Central

Moss, J.; Xiao, Y.; Zubaidah, S.

2001-01-01

To achieve the potential inherent in the use of computer applications in distributed environments, we need to understand the information needs of users. The purpose of this descriptive study was to document the communication of an operating room charge nurse to inform the design of technological communication applications for operating room coordination. A data collection tool was developed to record: 1) the purpose of the communication, 2) mode of communication, 3) the target individual, and 4) the length of time taken for each occurrence. The chosen data collection categories provided a functional structure for data collection and analysis involving communication. Study findings are discussed within the context of application design. PMID:11825234

Coordination and collaboration to document the global cotton germplasm resources

USDA-ARS?s Scientific Manuscript database

Coordinated efforts to collect and maintain cotton genetic resources have increased over the last 100 years to insure the worldwide economic value of cotton fiber and cotton byproducts. The classified genetic resources of cotton are extensive and include five tetraploid species in the primary gene ...

Leadership: Its Genealogy, Configuration and Trajectory

ERIC Educational Resources Information Center

Gronn, Peter

2010-01-01

This article provides a longitudinal analysis of leadership. In the first section of the article, the evidence reviewed indicates how, historically, leadership has been significant in various societal arrangements in the co-ordination of actions for collective purposes. Such co-ordination may also be facilitated through self-organisation, except…

Content Structure as a Design Strategy Variable in Concept Acquisition.

ERIC Educational Resources Information Center

Tennyson, Robert D.; Tennyson, Carol L.

Three methods of sequencing coordinate concepts (simultaneous, collective, and successive) were investigated with a Bayesian, computer-based, adaptive control system. The data analysis showed that when coordinate concepts are taught simultaneously (contextually similar concepts presented at the same time), student performance is superior to either…

Concentration dependence of the wings of a dipole-broadened magnetic resonance line in magnetically diluted lattices

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

Zobov, V. E., E-mail: rsa@iph.krasn.ru; Kucherov, M. M.

2017-01-15

The singularities of the time autocorrelation functions (ACFs) of magnetically diluted spin systems with dipole–dipole interaction (DDI), which determine the high-frequency asymptotics of autocorrelation functions and the wings of a magnetic resonance line, are studied. Using the self-consistent fluctuating local field approximation, nonlinear equations are derived for autocorrelation functions averaged over the independent random arrangement of spins (magnetic atoms) in a diamagnetic lattice with different spin concentrations. The equations take into account the specificity of the dipole–dipole interaction. First, due to its axial symmetry in a strong static magnetic field, the autocorrelation functions of longitudinal and transverse spin components aremore » described by different equations. Second, the long-range type of the dipole–dipole interaction is taken into account by separating contributions into the local field from distant and near spins. The recurrent equations are obtained for the expansion coefficients of autocorrelation functions in power series in time. From them, the numerical value of the coordinate of the nearest singularity of the autocorrelation function is found on the imaginary time axis, which is equal to the radius of convergence of these expansions. It is shown that in the strong dilution case, the logarithmic concentration dependence of the coordinate of the singularity is observed, which is caused by the presence of a cluster of near spins whose fraction is small but contribution to the modulation frequency is large. As an example a silicon crystal with different {sup 29}Si concentrations in magnetic fields directed along three crystallographic axes is considered.« less

Optimal reconstruction of the folding landscape using differential energy surface analysis

NASA Astrophysics Data System (ADS)

La Porta, Arthur; Denesyuk, Natalia A.; de Messieres, Michel

2013-03-01

In experiments and in simulations, the free energy of a state of a system can be determined from the probability that the state is occupied. However, it is often necessary to impose a biasing potential on the system so that high energy states are sampled with sufficient frequency. The unbiased energy is typically obtained from the data using the weighted histogram analysis method (WHAM). Here we present differential energy surface analysis (DESA), in which the gradient of the energy surface, dE/dx, is extracted from data taken with a series of harmonic biasing potentials. It is shown that DESA produces a maximum likelihood estimate of the folding landscape gradient. DESA is demonstrated by analyzing data from a simulated system as well as data from a single-molecule unfolding experiment in which the end-to-end distance of a DNA hairpin is measured. It is shown that the energy surface obtained from DESA is indistinguishable from the energy surface obtained when WHAM is applied to the same data. Two criteria are defined which indicate whether the DESA results are self-consistent. It is found that these criteria can detect a situation where the energy is not a single-valued function of the measured reaction coordinate. The criteria were found to be satisfied for the experimental data analyzed, confirming that end-to-end distance is a good reaction coordinate for the experimental system. The combination of DESA and the optical trap assay in which a structure is disrupted under harmonic constraint facilitates an extremely accurate measurement of the folding energy surface.

Generalized fractional supertrace identity for Hamiltonian structure of NLS-MKdV hierarchy with self-consistent sources

NASA Astrophysics Data System (ADS)

Dong, Huan He; Guo, Bao Yong; Yin, Bao Shu

2016-06-01

In the paper, based on the modified Riemann-Liouville fractional derivative and Tu scheme, the fractional super NLS-MKdV hierarchy is derived, especially the self-consistent sources term is considered. Meanwhile, the generalized fractional supertrace identity is proposed, which is a beneficial supplement to the existing literature on integrable system. As an application, the super Hamiltonian structure of fractional super NLS-MKdV hierarchy is obtained.

Generalized self-consistent method for predicting the effective elastic properties of composites with random hybrid structures

NASA Astrophysics Data System (ADS)

Pan'kov, A. A.

1997-05-01

The feasibility of using a generalized self-consistent method for predicting the effective elastic properties of composites with random hybrid structures has been examined. Using this method, the problem is reduced to solution of simpler special averaged problems for composites with single inclusions and corresponding transition layers in the medium examined. The dimensions of the transition layers are defined by correlation radii of the composite random structure of the composite, while the heterogeneous elastic properties of the transition layers take account of the probabilities for variation of the size and configuration of the inclusions using averaged special indicator functions. Results are given for a numerical calculation of the averaged indicator functions and analysis of the effect of the micropores in the matrix-fiber interface region on the effective elastic properties of unidirectional fiberglass—epoxy using the generalized self-consistent method and compared with experimental data and reported solutions.

Self-Consistent Sources for Integrable Equations Via Deformations of Binary Darboux Transformations

NASA Astrophysics Data System (ADS)

Chvartatskyi, Oleksandr; Dimakis, Aristophanes; Müller-Hoissen, Folkert

2016-08-01

We reveal the origin and structure of self-consistent source extensions of integrable equations from the perspective of binary Darboux transformations. They arise via a deformation of the potential that is central in this method. As examples, we obtain in particular matrix versions of self-consistent source extensions of the KdV, Boussinesq, sine-Gordon, nonlinear Schrödinger, KP, Davey-Stewartson, two-dimensional Toda lattice and discrete KP equation. We also recover a (2+1)-dimensional version of the Yajima-Oikawa system from a deformation of the pKP hierarchy. By construction, these systems are accompanied by a hetero binary Darboux transformation, which generates solutions of such a system from a solution of the source-free system and additionally solutions of an associated linear system and its adjoint. The essence of all this is encoded in universal equations in the framework of bidifferential calculus.

Post-decision biases reveal a self-consistency principle in perceptual inference.

PubMed

Luu, Long; Stocker, Alan A

2018-05-15

Making a categorical judgment can systematically bias our subsequent perception of the world. We show that these biases are well explained by a self-consistent Bayesian observer whose perceptual inference process is causally conditioned on the preceding choice. We quantitatively validated the model and its key assumptions with a targeted set of three psychophysical experiments, focusing on a task sequence where subjects first had to make a categorical orientation judgment before estimating the actual orientation of a visual stimulus. Subjects exhibited a high degree of consistency between categorical judgment and estimate, which is difficult to reconcile with alternative models in the face of late, memory related noise. The observed bias patterns resemble the well-known changes in subjective preferences associated with cognitive dissonance, which suggests that the brain's inference processes may be governed by a universal self-consistency constraint that avoids entertaining 'dissonant' interpretations of the evidence. © 2018, Luu et al.

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

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.

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

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

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.

Communication: A difference density picture for the self-consistent field ansatz.

PubMed

Parrish, Robert M; Liu, Fang; Martínez, Todd J

2016-04-07

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

Communication: A difference density picture for the self-consistent field ansatz

NASA Astrophysics Data System (ADS)

Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

2016-04-01

We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

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.

Effect of EMIC Wave Normal Angle Distribution on Relativistic Electron Scattering Based on the Newly Developed Self-consistent RC/EMIC Waves Model by Khazanov et al. [2006

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gallagher, D. L.; Gamayunov, K.

2007-01-01

It is well known that the effects of EMIC waves on RC ion and RB electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. Therefore, realistic characteristics of EMIC waves should be properly determined by modeling the RC-EMIC waves evolution self-consistently. Such a selfconsistent model progressively has been developing by Khaznnov et al. [2002-2006]. It solves a system of two coupled kinetic equations: one equation describes the RC ion dynamics and another equation describes the energy density evolution of EMIC waves. Using this model, we present the effectiveness of relativistic electron scattering and compare our results with previous work in this area of research.

Administrative Coordination in Non-Profit Human Service Delivery Networks: The Role of Competition and Trust

PubMed Central

Bunger, Alicia C.

2014-01-01

Non-profit human service organizations operating within the same regional network are often faced with dual pressure to compete as well as coordinate administrative operations (by sharing funding, staff or space) to enhance efficiency. Emerging evidence has demonstrated that competing organizations coordinate, despite the risks. Trust, or perceived trustworthiness between two organizations may mitigate the negative influence of competition on coordination, however there have been few explicit tests of this hypothesis among non-profit organizations. Drawing on quantitative data collected from a network of 36 non-profit children’s behavioral health organizations, this paper empirically tests how competition and perceived trustworthiness interact to influence administrative coordination. Results support the hypothesis that trustworthiness moderates the influence of competition on administrative coordination. Findings suggest that as competing non-profit leaders build trust, the more their agencies coordinate their administrative functions. This study highlights the importance of leaders’ perceptions for organizational strategy. PMID:25349468

Model studies of hydrogen atom addition and abstraction processes involving ortho-, meta-, and para-benzynes.

PubMed

Clark, A E; Davidson, E R

2001-10-31

H-atom addition and abstraction processes involving ortho-, meta-, and para-benzyne have been investigated by multiconfigurational self-consistent field methods. The H(A) + H(B)...H(C) reaction (where r(BC) is adjusted to mimic the appropriate singlet-triplet energy gap) is shown to effectively model H-atom addition to benzyne. The doublet multiconfiguration wave functions are shown to mix the "singlet" and "triplet" valence bond structures of H(B)...H(C) along the reaction coordinate; however, the extent of mixing is dependent on the singlet-triplet energy gap (DeltaE(ST)) of the H(B)...H(C) diradical. Early in the reaction, the ground-state wave function is essentially the "singlet" VB function, yet it gains significant "triplet" VB character along the reaction coordinate that allows H(A)-H(B) bond formation. Conversely, the wave function of the first excited state is predominantly the "triplet" VB configuration early in the reaction coordinate, but gains "singlet" VB character when the H-atom is close to a radical center. As a result, the potential energy surface (PES) for H-atom addition to triplet H(B)...H(C) diradical is repulsive! The H3 model predicts, in agreement with the actual calculations on benzyne, that the singlet diradical electrons are not coupled strongly enough to give rise to an activation barrier associated with C-H bond formation. Moreover, this model predicts that the PES for H-atom addition to triplet benzyne will be characterized by a repulsive curve early in the reaction coordinate, followed by a potential avoided crossing with the (pi)1(sigma*)1 state of the phenyl radical. In contrast to H-atom addition, large activation barriers characterize the abstraction process in both the singlet ground state and first triplet state. In the ground state, this barrier results from the weakly avoided crossing of the dominant VB configurations in the ground-state singlet (S0) and first excited singlet (S1) because of the large energy gap between S0 and S1 early in the reaction coordinate. Because the S1 state is best described as the combination of the triplet X-H bond and the triplet H(B)...H(C) spin couplings, the activation barrier along the S0 abstraction PES will have much less dependence on the DeltaE(ST) of H(B)...H(C) than previously speculated. For similar reasons, the T1 potential surface is quite comparable to the S0 PES.

75 FR 51437 - Notice of Request for Extension of a Currently Approved Information Collection (Advanced Meat...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-20

... DEPARTMENT OF AGRICULTURE Food Safety and Inspection Service [Docket No. FSIS-2010-0025] Notice of... Coordinator, Food Safety and Inspection Service, USDA, 1400 Independence Avenue, SW., Room 6065, South...'Connell, Paperwork Reduction Act Coordinator, Food Safety and Inspection Service, USDA, 1400 Independence...

Examining Individual and Collective Level Mathematical Progress

ERIC Educational Resources Information Center

Rasmussen, Chris; Wawro, Megan; Zandieh, Michelle

2015-01-01

A challenge in mathematics education research is to coordinate different analyses to develop a more comprehensive account of teaching and learning. We contribute to these efforts by expanding the constructs in Cobb and Yackel's (Educational Psychologist 31:175-190, 1996) interpretive framework that allow for coordinating social and individual…

77 FR 63922 - Proposed Collection; Comment Request for Notice 2009-52

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-17

... Credit in Lieu of Production Tax Credit; Coordination With Department of Treasury Grants for Specified Energy Property in Lieu of Tax Credits. DATES: Written comments should be received on or before December... INFORMATION: Title: Election of Investment Tax Credit in Lieu of Production Tax Credit; Coordination With...

77 FR 61473 - Proposed Collection; Comment Request for Voluntary Customer Surveys To Implement E.O. 12862...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-09

... Voluntary Customer Surveys To Implement E.O. 12862 Coordinated by the Corporate Planning and Performance... required by the Paperwork Reduction Act of 1995, Public Law 104-13 (44 U.S.C. 3506(c)(2)(A)). Currently... Coordinated by [[Page 61474

Designing Feature and Data Parallel Stochastic Coordinate Descent Method forMatrix and Tensor Factorization

DTIC Science & Technology

2016-05-11

AFRL-AFOSR-JP-TR-2016-0046 Designing Feature and Data Parallel Stochastic Coordinate Descent Method for Matrix and Tensor Factorization U Kang Korea...maintaining the data needed, and completing and reviewing the collection of information. Send comments regarding this burden estimate or   any other aspect...Designing Feature and Data Parallel Stochastic Coordinate Descent Method for Matrix and Tensor Factorization 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386

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

Hopwood, J.E.; Affeldt, B.

An IBM personal computer (PC), a Gerber coordinate digitizer, and a collection of other instruments make up a system known as the Coordinate Digitizer Interactive Processor (CDIP). The PC extracts coordinate data from the digitizer through a special interface, and then, after reformatting, transmits the data to a remote VAX computer, a floppy disk, and a display terminal. This system has improved the efficiency of producing printed circuit-board artwork and extended the useful life of the Gerber GCD-1 Digitizer. 1 ref., 12 figs.

75 FR 68609 - Agency Information Collection Request; 30-Day Public Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-08

... Pregnancy Prevention Approaches: Implementation Study Data Collection--OMB No. 0990-New--Office of... collection. OAH is overseeing and coordinating adolescent pregnancy prevention evaluation efforts as part of the Teen Pregnancy Prevention Initiative. OAH is working collaboratively with the Office of the...

Sexual Orientation and Gender Identity Data Collection Update: U.S. Government Takes Steps to Promote Sexual Orientation and Gender Identity Data Collection Through Meaningful Use Guidelines.

PubMed

Cahill, Sean; Makadon, Harvey J

2014-09-01

Collecting data on sexual orientation and gender identity (SO/GI) in healthcare settings and in electronic health records (EHRs) is essential to understanding, addressing, and reducing LGBT health disparities. The federal government took two key steps in early 2014 in support of asking SO/GI questions in clinical settings as part of the meaningful use of EHRs. First, the Office of the National Coordinator for Health Information Technology issued proposed 2015 Edition Certified EHR Technology (CEHRT) Criteria, which suggest Systematized Nomenclature of Medicine (SNOMED) code sets for SO/GI data collection in 2017. To facilitate the effective and accurate collection of SO/GI data, 153 LGBT and HIV groups recommended that the national coordinator request that the National Library of Medicine develop new codes to reflect SO/GI data. Second, the Health Information Technology Policy Committee submitted recommendations to the national coordinator, including the recommendation that "CEHRT [certified EHR technology] provides the functionality to capture … sexual orientation, gender identity." If the national coordinator accepts this recommendation, it will be put up for public comment in fall 2014 along with other Stage 3 proposed rules. Also, the 2017 Edition CEHRT Notice of Proposed Rule Making Criteria will be up for comment in fall 2014. Final Stage 3 Meaningful Use Guidelines will be published in summer 2015, and other key steps will take place into 2017. A critical parallel step is the training of clinical staff on LGBT health disparities and how to use SO/GI data and manage them in ways that meet the clinical needs of LGBT patients and protect confidentiality and privacy. We must also educate LGBT community members about why offering this information is important for their health and how collecting SO/GI data in EHRs is an important step to understanding LGBT health, reducing disparities, and improving outcomes.

An integrated approach to monitoring the calibration stability of operational dual-polarization radars

DOE PAGES

Vaccarono, Mattia; Bechini, Renzo; Chandrasekar, Chandra V.; ...

2016-11-08

The stability of weather radar calibration is a mandatory aspect for quantitative applications, such as rainfall estimation, short-term weather prediction and initialization of numerical atmospheric and hydrological models. Over the years, calibration monitoring techniques based on external sources have been developed, specifically calibration using the Sun and calibration based on ground clutter returns. In this paper, these two techniques are integrated and complemented with a self-consistency procedure and an intercalibration technique. The aim of the integrated approach is to implement a robust method for online monitoring, able to detect significant changes in the radar calibration. The physical consistency of polarimetricmore » radar observables is exploited using the self-consistency approach, based on the expected correspondence between dual-polarization power and phase measurements in rain. This technique allows a reference absolute value to be provided for the radar calibration, from which eventual deviations may be detected using the other procedures. In particular, the ground clutter calibration is implemented on both polarization channels (horizontal and vertical) for each radar scan, allowing the polarimetric variables to be monitored and hardware failures to promptly be recognized. The Sun calibration allows monitoring the calibration and sensitivity of the radar receiver, in addition to the antenna pointing accuracy. It is applied using observations collected during the standard operational scans but requires long integration times (several days) in order to accumulate a sufficient amount of useful data. Finally, an intercalibration technique is developed and performed to compare colocated measurements collected in rain by two radars in overlapping regions. The integrated approach is performed on the C-band weather radar network in northwestern Italy, during July–October 2014. The set of methods considered appears suitable to establish an online tool to monitor the stability of the radar calibration with an accuracy of about 2 dB. In conclusion, this is considered adequate to automatically detect any unexpected change in the radar system requiring further data analysis or on-site measurements.« less

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

Vaccarono, Mattia; Bechini, Renzo; Chandrasekar, Chandra V.

The stability of weather radar calibration is a mandatory aspect for quantitative applications, such as rainfall estimation, short-term weather prediction and initialization of numerical atmospheric and hydrological models. Over the years, calibration monitoring techniques based on external sources have been developed, specifically calibration using the Sun and calibration based on ground clutter returns. In this paper, these two techniques are integrated and complemented with a self-consistency procedure and an intercalibration technique. The aim of the integrated approach is to implement a robust method for online monitoring, able to detect significant changes in the radar calibration. The physical consistency of polarimetricmore » radar observables is exploited using the self-consistency approach, based on the expected correspondence between dual-polarization power and phase measurements in rain. This technique allows a reference absolute value to be provided for the radar calibration, from which eventual deviations may be detected using the other procedures. In particular, the ground clutter calibration is implemented on both polarization channels (horizontal and vertical) for each radar scan, allowing the polarimetric variables to be monitored and hardware failures to promptly be recognized. The Sun calibration allows monitoring the calibration and sensitivity of the radar receiver, in addition to the antenna pointing accuracy. It is applied using observations collected during the standard operational scans but requires long integration times (several days) in order to accumulate a sufficient amount of useful data. Finally, an intercalibration technique is developed and performed to compare colocated measurements collected in rain by two radars in overlapping regions. The integrated approach is performed on the C-band weather radar network in northwestern Italy, during July–October 2014. The set of methods considered appears suitable to establish an online tool to monitor the stability of the radar calibration with an accuracy of about 2 dB. In conclusion, this is considered adequate to automatically detect any unexpected change in the radar system requiring further data analysis or on-site measurements.« less

The distribution of Enceladus water-group neutrals in Saturn’s Magnetosphere

NASA Astrophysics Data System (ADS)

Smith, Howard T.; Richardson, John D.

2017-10-01

Saturn’s magnetosphere is unique in that the plumes from the small icy moon, Enceladus, serve at the primary source for heavy particles in Saturn’s magnetosphere. The resulting co-orbiting neutral particles interact with ions, electrons, photons and other neutral particles to generate separate H2O, OH and O tori. Characterization of these toroidal distributions is essential for understanding Saturn magnetospheric sources, composition and dynamics. Unfortunately, limited direct observations of these features are available so modeling is required. A significant modeling challenge involves ensuring that either the plasma and neutral particle populations are not simply input conditions but can provide feedback to each population (i.e. are self-consistent). Jurac and Richardson (2005) executed such a self-consistent model however this research was performed prior to the return of Cassini data. In a similar fashion, we have coupled a 3-D neutral particle model (Smith et al. 2004, 2005, 2006, 2007, 2009, 2010) with a plasma transport model (Richardson 1998; Richardson & Jurac 2004) to develop a self-consistent model which is constrained by all available Cassini observations and current findings on Saturn’s magnetosphere and the Enceladus plume source resulting in much more accurate neutral particle distributions. Here a new self-consistent model of the distribution of the Enceladus-generated neutral tori that is validated by all available observations. We also discuss the implications for source rate and variability.

Self-consistency in Bicultural Persons: Dialectical Self-beliefs Mediate the Relation between Identity Integration and Self-consistency

PubMed Central

Zhang, Rui; Noels, Kimberly A.; Lalonde, Richard N.; Salas, S. J.

2017-01-01

Prior research differentiates dialectical (e.g., East Asian) from non-dialectical cultures (e.g., North American and Latino) and attributes cultural differences in self-concept consistency to naïve dialecticism. In this research, we explored the effects of managing two cultural identities on consistency within the bicultural self-concept via the role of dialectical beliefs. Because the challenge of integrating more than one culture within the self is common to biculturals of various heritage backgrounds, the effects of bicultural identity integration should not depend on whether the heritage culture is dialectical or not. In four studies across diverse groups of bicultural Canadians, we showed that having an integrated bicultural identity was associated with being more consistent across roles (Studies 1–3) and making less ambiguous self-evaluations (Study 4). Furthermore, dialectical self-beliefs mediated the effect of bicultural identity integration on self-consistency (Studies 2–4). Finally, Latino biculturals reported being more consistent across roles than did East Asian biculturals (Study 2), revealing the ethnic heritage difference between the two groups. We conclude that both the content of heritage culture and the process of integrating cultural identities influence the extent of self-consistency among biculturals. Thus, consistency within the bicultural self-concept can be understood, in part, to be a unique psychological product of bicultural experience. PMID:28326052

Self-consistency in Bicultural Persons: Dialectical Self-beliefs Mediate the Relation between Identity Integration and Self-consistency.

PubMed

Zhang, Rui; Noels, Kimberly A; Lalonde, Richard N; Salas, S J

2017-01-01

Prior research differentiates dialectical (e.g., East Asian) from non-dialectical cultures (e.g., North American and Latino) and attributes cultural differences in self-concept consistency to naïve dialecticism. In this research, we explored the effects of managing two cultural identities on consistency within the bicultural self-concept via the role of dialectical beliefs. Because the challenge of integrating more than one culture within the self is common to biculturals of various heritage backgrounds, the effects of bicultural identity integration should not depend on whether the heritage culture is dialectical or not. In four studies across diverse groups of bicultural Canadians, we showed that having an integrated bicultural identity was associated with being more consistent across roles (Studies 1-3) and making less ambiguous self-evaluations (Study 4). Furthermore, dialectical self-beliefs mediated the effect of bicultural identity integration on self-consistency (Studies 2-4). Finally, Latino biculturals reported being more consistent across roles than did East Asian biculturals (Study 2), revealing the ethnic heritage difference between the two groups. We conclude that both the content of heritage culture and the process of integrating cultural identities influence the extent of self-consistency among biculturals. Thus, consistency within the bicultural self-concept can be understood, in part, to be a unique psychological product of bicultural experience.

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.

Tissue stiffening coordinates morphogenesis by triggering collective cell migration in vivo.

PubMed

Barriga, Elias H; Franze, Kristian; Charras, Guillaume; Mayor, Roberto

2018-02-22

Collective cell migration is essential for morphogenesis, tissue remodelling and cancer invasion. In vivo, groups of cells move in an orchestrated way through tissues. This movement involves mechanical as well as molecular interactions between cells and their environment. While the role of molecular signals in collective cell migration is comparatively well understood, how tissue mechanics influence collective cell migration in vivo remains unknown. Here we investigated the importance of mechanical cues in the collective migration of the Xenopus laevis neural crest cells, an embryonic cell population whose migratory behaviour has been likened to cancer invasion. We found that, during morphogenesis, the head mesoderm underlying the cephalic neural crest stiffens. This stiffening initiates an epithelial-to-mesenchymal transition in neural crest cells and triggers their collective migration. To detect changes in their mechanical environment, neural crest cells use mechanosensation mediated by the integrin-vinculin-talin complex. By performing mechanical and molecular manipulations, we show that mesoderm stiffening is necessary and sufficient to trigger neural crest migration. Finally, we demonstrate that convergent extension of the mesoderm, which starts during gastrulation, leads to increased mesoderm stiffness by increasing the cell density underneath the neural crest. These results show that convergent extension of the mesoderm has a role as a mechanical coordinator of morphogenesis, and reveal a link between two apparently unconnected processes-gastrulation and neural crest migration-via changes in tissue mechanics. Overall, we demonstrate that changes in substrate stiffness can trigger collective cell migration by promoting epithelial-to-mesenchymal transition in vivo. More broadly, our results raise the idea that tissue mechanics combines with molecular effectors to coordinate morphogenesis.

Science Education and the Material Culture of the Nineteenth-Century Classroom: Physics and Chemistry in Spanish Secondary Schools

NASA Astrophysics Data System (ADS)

Simon, Josep; Cuenca-Lorente, Mar

2012-02-01

Although a large number of Spanish secondary schools have preserved an important scientific heritage, including large scientific instrument collections, this heritage has never been officially protected. Their current state is very diverse, and although several research projects have attempted to initiate their recovery and use, their lack of coordination and wide range of methodological approaches has limited their impact. This paper presents a case-study integrated in a new project supported by the Catalan Scientific Instrument Commission (COMIC) whose final aim is the establishment of a research hub for the preservation, study and use of Spanish scientific instrument collections. Major aims in this project are promoting a better coordination of Spanish projects in this field, and furthering international research on science pedagogy and the material culture of science. The major focus of COMIC is currently the recovery of secondary school collections. This paper provides first, a historical account of the development of secondary education in Spain, and the contemporary establishment of physics and chemistry school collections. Second, we focus on a case-study of three Spanish schools (Valencia, Castellón, and Alicante). Finally, we provide a brief overview of current projects to preserve Spanish school collections, and discuss how COMIC can contribute to help to coordinate them, and to take a step forward interdisciplinary research in this context.

Coordination and Management of Multisite Complementary and Alternative Medicine (CAM) Therapies: Experience from a Multisite Reflexology Intervention Trial

PubMed Central

Rahbar, Mohammad H.; Wyatt, Gwen; Sikorskii, Alla; Victorson, David; Ardjomand-Hessabi, Manouchehr

2011-01-01

Background Multisite randomized clinical trials allow for increased research collaboration among investigators and expedite data collection efforts. As a result, government funding agencies typically look favorably upon this approach. As the field of complementary and alternative medicine (CAM) continues to evolve, so do increased calls for the use of more rigorous study design and trial methodologies, which can present challenges for investigators. Purpose To describe the processes involved in the coordination and management of a multisite randomized clinical trial of a CAM intervention. Methods Key aspects related to the coordination and management of a multisite CAM randomized clinical trial are presented, including organizational and site selection considerations, recruitment concerns and issues related to data collection and randomization to treatment groups. Management and monitoring of data, as well as quality assurance procedures are described. Finally, a real world perspective is shared from a recently conducted multisite randomized clinical trial of reflexology for women diagnosed with advanced breast cancer. Results The use of multiple sites in the conduct of CAM-based randomized clinical trials can provide an efficient, collaborative and robust approach to study coordination and data collection that maximizes efficiency and ensures the quality of results. Conclusions Multisite randomized clinical trial designs can offer the field of CAM research a more standardized and efficient approach to examine the effectiveness of novel therapies and treatments. Special attention must be given to intervention fidelity, consistent data collection and ensuring data quality. Assessment and reporting of quantitative indicators of data quality should be required. PMID:21664296

76 FR 76164 - Agency Information Collection Request; 60-Day Public Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-06

.... Proposed Project: Evaluation of Pregnancy Prevention Approaches: First Follow-Up Data Collection--OMB No... approval by OMB on a revised data collection. OAH is overseeing and coordinating adolescent pregnancy prevention evaluation efforts as part of the Teen Pregnancy Prevention Initiative. OAH is working...

Materials Center Collections and Procedures: Suggested Modifications.

ERIC Educational Resources Information Center

Davis, Larry L.

This description of a three year project of services to educators by the Kentucky Department of Education Materials Center includes the current collections, future collections, and the anticipated procedures necessary to provide optimum service and best utilize those materials. The plan involves better coordination between the three major…

Determinants of supply chain coordination of milk and dairy industries in Ethiopia: a case of Addis Ababa and its surroundings.

PubMed

Lemma, Habtamu Regassa; Singh, Rajwinder; Kaur, Navjot

2015-01-01

Coordination of different business activities among units becomes vital as organizations pay much attention to their core activities. Thus, their fruitfulness constantly relies on their capacity to coordinate their internal and external activities in the supply chain outside their own boundaries. Giving consideration to these obvious reasons, this paper aims to investigate the determinants of supply chain coordination of milk and dairy industries. The data were collected from 330 milk suppliers, processors, and retailers in the central part of Ethiopia. The structural equation modeling has been employed to develop the structural relationship between key constructs and measured variables. In total, 15 measured variables for coordination in the supply chain have been identified. These are further grouped into four factors namely, non-price coordination, price coordination, relationships and product development decision. It has been observed that the implementation of these factors could maximize the coordination linkage among supply chain members. Thus, dairy sectors should take the identified coordination factors into account in each of their business dealings.

Joint Coordination and Muscle Activities of Ballet Dancers During Tiptoe Standing.

PubMed

Tanabe, Hiroko; Fujii, Keisuke; Kouzaki, Motoki

2017-01-01

We aimed to investigate joint coordination of lower limbs in dancers during tiptoe standing and the relationship between joint coordination and muscle coactivation. Seven female ballet dancers performed tiptoe standing with six leg positions (fi e classical dance positions and one modern dance position) for 10 s. The kinematic data of the metatarsophalangeal (MP), ankle, knee, and hip joints was collected, and surface electromyography (EMG) of over 13 lower limb muscles was conducted. Principal component analysis was performed to determine joint coordination. MP-ankle and ankle-knee had in-phase coordination, whereas knee-hip showed anti-phase coordination in the sagittal plane. In addition, most EMG-EMG coherence around the MP and ankle joints was significant up to 50 Hz when these two joints swayed with in-phase. This suggests that different joint coordination patterns are associated with neural processing related to different muscle coactivation patterns. In conclusion, ballet dancers showed in-phase coordination from the MP to knee joints, which was associated with muscle coactivation to a higher frequency domain (up to 50 Hz) in comparison with anti-phase coordination.

Columbia River Coordinated Information System (CIS); Data Catalog, 1992 Technical Report.

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

O'Connor, Dick; Allen, Stan; Reece, Doug

1993-05-01

The Columbia River Coordinated Information system (CIS) Project started in 1989 to address regional data sharing. Coordinated exchange and dissemination of any data must begin with dissemination of information about those data, such as: what is available; where the data are stored; what form they exist in; who to contact for further information or access to these data. In Phase II of this Project (1991), a Data Catalog describing the contents of regional datasets and less formal data collections useful for system monitoring and evaluation projects was built to improve awareness of their existence. Formal datasets are described in amore » `Dataset Directory,` while collections of data are Used to those that collect such information in the `Data Item Directory.` The Data Catalog will serve regional workers as a useful reference which centralizes the institutional knowledge of many data contacts into a single source. Recommendations for improvement of the Catalog during Phase III of this Project include addressing gaps in coverage, establishing an annual maintenance schedule, and loading the contents into a PC-based electronic database for easier searching and cross-referencing.« less

A Novel Electronic Data Collection System for Large-Scale Surveys of Neglected Tropical Diseases

PubMed Central

King, Jonathan D.; Buolamwini, Joy; Cromwell, Elizabeth A.; Panfel, Andrew; Teferi, Tesfaye; Zerihun, Mulat; Melak, Berhanu; Watson, Jessica; Tadesse, Zerihun; Vienneau, Danielle; Ngondi, Jeremiah; Utzinger, Jürg; Odermatt, Peter; Emerson, Paul M.

2013-01-01

Background Large cross-sectional household surveys are common for measuring indicators of neglected tropical disease control programs. As an alternative to standard paper-based data collection, we utilized novel paperless technology to collect data electronically from over 12,000 households in Ethiopia. Methodology We conducted a needs assessment to design an Android-based electronic data collection and management system. We then evaluated the system by reporting results of a pilot trial and from comparisons of two, large-scale surveys; one with traditional paper questionnaires and the other with tablet computers, including accuracy, person-time days, and costs incurred. Principle Findings The electronic data collection system met core functions in household surveys and overcame constraints identified in the needs assessment. Pilot data recorders took 264 (standard deviation (SD) 152 sec) and 260 sec (SD 122 sec) per person registered to complete household surveys using paper and tablets, respectively (P = 0.77). Data recorders felt a lack of connection with the interviewee during the first days using electronic devices, but preferred to collect data electronically in future surveys. Electronic data collection saved time by giving results immediately, obviating the need for double data entry and cross-correcting. The proportion of identified data entry errors in disease classification did not differ between the two data collection methods. Geographic coordinates collected using the tablets were more accurate than coordinates transcribed on a paper form. Costs of the equipment required for electronic data collection was approximately the same cost incurred for data entry of questionnaires, whereas repeated use of the electronic equipment may increase cost savings. Conclusions/Significance Conducting a needs assessment and pilot testing allowed the design to specifically match the functionality required for surveys. Electronic data collection using an Android-based technology was suitable for a large-scale health survey, saved time, provided more accurate geo-coordinates, and was preferred by recorders over standard paper-based questionnaires. PMID:24066147

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.

PubMed

Womack, James C; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-28

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

NASA Astrophysics Data System (ADS)

Womack, James C.; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-01

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

78 FR 9357 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-08

... documents to the State Rural Energy Coordinator. Need and Use of the Information: RBS will use the collected... use funds for authorized purposes. Without this collection of information RBS would be unable to meet...

Final report of coordination and cooperation with the European Union on embankment failure analysis

USDA-ARS?s Scientific Manuscript database

There has been an emphasis in the European Union (EU) community on the investigation of extreme flood processes and the uncertainties related to these processes. Over a 3-year period, the EU and the U.S. dam safety community (1) coordinated their efforts and collected information needed to integrate...

Health Is Academic. A Guide to Coordinated School Health Programs.

ERIC Educational Resources Information Center

Marx, Eva, Ed.; Wooley, Susan Frelick, Ed.; Northrop, Daphne, Ed.

This book presents a collection of papers that define comprehensive school health programs and their components and provide action steps for their implementation at the local, state, and national levels: (1) "Linking Health and Learning: An Overview of Coordinated School Health Programs" (Floretta Dukes McKenzie and Julius B. Richmond); (2)…

45 CFR 1150.23 - How will the Endowment coordinate salary offsets with other agencies?

Code of Federal Regulations, 2011 CFR

2011-10-01

... 45 Public Welfare 3 2011-10-01 2011-10-01 false How will the Endowment coordinate salary offsets with other agencies? 1150.23 Section 1150.23 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS COLLECTION OF...

77 FR 64513 - Proposed Administrative Agreement for Collection of CERCLA Past Costs

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-22

..., Coordinator, Office of Public Affairs, U.S. Environmental Protection Agency, Region V, 77 W. Jackson Boulevard... addressed to: Ms. Cheryl Allen, Coordinator, Office of Public Affairs, U.S. Environmental Protection Agency.... Cheryl Allen of the Office of Public Affairs (P-19J), U.S. Environmental Protection Agency, Region V, 77W...

45 CFR 1150.23 - How will the Endowment coordinate salary offsets with other agencies?

Code of Federal Regulations, 2010 CFR

2010-10-01

... 45 Public Welfare 3 2010-10-01 2010-10-01 false How will the Endowment coordinate salary offsets with other agencies? 1150.23 Section 1150.23 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS COLLECTION OF...

Language Coordinators Resource Kit. Section Ten: Picture Bank.

ERIC Educational Resources Information Center

Peace Corps, Washington, DC. Information Collection and Exchange Div.

The guide is one section of a resource kit designed to assist Peace Corps language instruction coordinators in countries around the world in understanding the principles underlying second language learning and teaching and in organizing instructional programs. This section contains a collection of pictures that can be used as visual aids in…

36 CFR 1201.33 - How will NARA coordinate salary offsets with other agencies?

Code of Federal Regulations, 2010 CFR

2010-07-01

... salary offsets with other agencies? 1201.33 Section 1201.33 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION GENERAL RULES COLLECTION OF CLAIMS Salary Offset § 1201.33 How will NARA coordinate salary offsets with other agencies? (a) Responsibilities of NARA as the creditor agency...

76 FR 28949 - Notice of Request for Extension of Approval of an Information Collection; Importation of Tomatoes...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-19

...] Notice of Request for Extension of Approval of an Information Collection; Importation of Tomatoes From... with regulations governing the importation of tomatoes from Spain, Chile, France, Morocco, and Western... Collection Coordinator, at (301) 851-2908. SUPPLEMENTARY INFORMATION: Title: Importation of Tomatoes From...

78 FR 52008 - 30-Day Notice of Proposed Information Collection: Multifamily Housing Service Coordinator Program

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-21

... community engagement; including meetings with community agencies and residents and Attendance at or planning... comments from members of the public and affected parties concerning the collection of information described... through the use of appropriate automated collection techniques or other forms of information technology, e...

Empirical Data Collection and Analysis Using Camtasia and Transana

ERIC Educational Resources Information Center

Thorsteinsson, Gisli; Page, Tom

2009-01-01

One of the possible techniques for collecting empirical data is video recordings of a computer screen with specific screen capture software. This method for collecting empirical data shows how students use the BSCWII (Be Smart Cooperate Worldwide--a web based collaboration/groupware environment) to coordinate their work and collaborate in…

78 FR 79696 - Proposed Data Collections Submitted for Public Comment and Recommendations

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-31

...-14FA] Proposed Data Collections Submitted for Public Comment and Recommendations In compliance with the... public health-based surveillance system to coordinate the collection, collation, analysis, and... system to describe the public health impacts on the population of the United States. The ATSDR is seeking...

Improving care coordination using organisational routines.

PubMed

Prætorius, Thim

2016-01-01

The purpose of this paper is to systematically apply theory of organisational routines to standardised care pathways. The explanatory power of routines is used to address open questions in the care pathway literature about their coordinating and organising role, the way they change and can be replicated, the way they are influenced by the organisation and the way they influence health care professionals. Theory of routines is systematically applied to care pathways in order to develop theoretically derived propositions. Care pathways mirror routines by being recurrent, collective and embedded and specific to an organisation. In particular, care pathways resemble standard operating procedures that can give rise to recurrent collective action patterns. In all, 11 propositions related to five categories are proposed by building on these insights: care pathways and coordination, change, replication, the organisation and health care professionals. Research limitations/implications - The paper is conceptual and uses care pathways as illustrative instances of hospital routines. The propositions provide a starting point for empirical research. The analysis highlights implications that health care professionals and managers have to consider in relation to coordination, change, replication, the way the organisation influences care pathways and the way care pathways influence health care professionals. Originality/value - Theory on organisational routines offers fundamental, yet unexplored, insights into hospital processes, including in particular care coordination.

Ion Scattering in a Self-Consistent Cylindrical Plasma Sheath

DTIC Science & Technology

2005-04-01

ELEMENT NUMBER 61102F 6. AUTHORS 5d. PROJECT NUMBER Shana S. Figueroa , D.L. Cooke, and Nikos A. Gatsonis* 5021 59. TASK NUMBER RS 5f. WORK UNIT... Adrian WheelockPAGES 19B. TELEPHONE NUMBER (include area code) UNCL UNCL UNCL Standard Form 298 (Rev. 8/98) Prescribed by ANSI Std. Z39.18 AFRL-VS-HA-TR...1007-1095 Ion scattering in a Self-consistent Cylindrical Plasma Sheath Shana S. Figueroa and David L. Cooke Air Force Research Laboratory, Space

Dynamics and Thermodynamics of Quantum Crystals Near the Instability Point in the Self-Consistent Phonon Theory

DTIC Science & Technology

2001-01-01

Buckingham (B), Lennard - Jones (LI ) and Morse (M) potential energy parameters of solid helium and neon calculated with the help of experimental data for the...Using the values of potential energy parameters given in Table 1 for the Buckingham (Eq.(3)), Lennard - Jones (Eq.(4)) and the Morse (Eq.(5)) s.c...calculations are performed in terms of the (expm) Buckingham, the (n,m) Lennard - Jones and the (expexp) Morse self-consistent potentials as

The concept of coupling impedance in the self-consistent plasma wake field excitation

NASA Astrophysics Data System (ADS)

Fedele, R.; Akhter, T.; De Nicola, S.; Migliorati, M.; Marocchino, A.; Massimo, F.; Palumbo, L.

2016-09-01

Within the framework of the Vlasov-Maxwell system of equations, we describe the self-consistent interaction of a relativistic charged-particle beam with the surroundings while propagating through a plasma-based acceleration device. This is done in terms of the concept of coupling (longitudinal) impedance in full analogy with the conventional accelerators. It is shown that also here the coupling impedance is a very useful tool for the Nyquist-type stability analysis. Examples of specific physical situations are finally illustrated.

Self-consistent approximation beyond the CPA: Part II

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

Kaplan, T.; Gray, L.J.

1981-08-01

In Part I, Professor Leath has described the substantial efforts to generalize the CPA. In this second part, a particular self-consistent approximation for random alloys developed by Kaplan, Leath, Gray, and Diehl is described. This approximation is applicable to diagonal, off-diagonal and environmental disorder, includes cluster scattering, and yields a translationally invariant and analytic (Herglotz) average Green's function. Furthermore Gray and Kaplan have shown that an approximation for alloys with short-range order can be constructed from this theory.

Self-consistent mean-field approach to the statistical level density in spherical nuclei

NASA Astrophysics Data System (ADS)

Kolomietz, V. M.; Sanzhur, A. I.; Shlomo, S.

2018-06-01

A self-consistent mean-field approach within the extended Thomas-Fermi approximation with Skyrme forces is applied to the calculations of the statistical level density in spherical nuclei. Landau's concept of quasiparticles with the nucleon effective mass and the correct description of the continuum states for the finite-depth potentials are taken into consideration. The A dependence and the temperature dependence of the statistical inverse level-density parameter K is obtained in a good agreement with experimental data.

The resolved layer of a collisionless, high beta, supercritical, quasi-perpendicular shock wave. I - Rankine-Hugoniot geometry, currents, and stationarity

NASA Technical Reports Server (NTRS)

Scudder, J. D.; Aggson, T. L.; Mangeney, A.; Lacombe, C.; Harvey, C. C.

1986-01-01

Data collected by the ISEE dual-spacecraft mission (on November 7, 1977) on a slowly moving, supercritical, high-beta, quasi-perpendicular bow shock are presented, and the local geometry, spatial scales, and stationarity of this shock wave are assessed in a self-consistent Rankine-Hugoniot-constrained frame of reference. Included are spatial profiles of the ac and dc magnetic and electric fields, electron and proton fluid velocities, current densities, electron and proton number densities, temperatures, pressures, and partial densities of the reflected protons. The observed layer profile is shown to be nearly phase standing and one-dimensional in a Rankine-Hugoniot frame, empirically determined by the magnetofluid parameters outside the layer proper.

78 FR 66070 - Agency Information Collection Activities; Proposed Collection; Comments Requested: Tribal...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-04

... exercise of his discretion, to grant a tribe's request to be designed as a ``participating tribe'' on an... by the Attorney General, after coordinating with the Secretary of the Interior, consulting with...

Effects of relational coordination among colleagues and span of control on work engagement among home-visiting nurses.

PubMed

Naruse, Takashi; Sakai, Mahiro; Nagata, Satoko

2016-04-01

Home-visiting nursing agencies are required to foster staff nurse's work engagement; thus, the factors related to work engagement require identification. This study examined relational coordination among colleagues and agency span of control on the work engagement of home-visiting nurses. Cross-sectional data from 93 staff nurses in 31 home-visiting nursing agencies were collected via a survey and analyzed using mixed linear regression. There was no significant main effect of relational coordination among nurse colleagues on work engagement. In large agencies with a large span of control, relational coordination among nursing colleagues predicted work engagement. Nursing managers' relational coordination was found to be positively associated with staff nurse work engagement. Agency span of control is a moderating factor on the positive effect of relational coordination with nursing colleagues on staff nurse work engagement. © 2016 Japan Academy of Nursing Science.

The plan to coordinate NEHRP post-earthquake investigations

USGS Publications Warehouse

Holzer, Thomas L.; Borcherdt, Roger D.; Comartin, Craig D.; Hanson, Robert D.; Scawthorn, Charles R.; Tierney, Kathleen; Youd, T. Leslie

2003-01-01

This is the plan to coordinate domestic and foreign post-earthquake investigations supported by the National Earthquake Hazards Reduction Program (NEHRP). The plan addresses coordination of both the NEHRP agencies—Federal Emergency Management Agency (FEMA), National Institute of Standards and Technology (NIST), National Science Foundation (NSF), and U. S. Geological Survey (USGS)—and their partners. The plan is a framework for both coordinating what is going to be done and identifying responsibilities for post-earthquake investigations. It does not specify what will be done. Coordination is addressed in various time frames ranging from hours to years after an earthquake. The plan includes measures for (1) gaining rapid and general agreement on high-priority research opportunities, and (2) conducting the data gathering and fi eld studies in a coordinated manner. It deals with identifi cation, collection, processing, documentation, archiving, and dissemination of the results of post-earthquake work in a timely manner and easily accessible format.

Large Grüneisen Gamma of Dense Silicate Liquids: More Experiments and a First Self- consistent Model

NASA Astrophysics Data System (ADS)

Asimow, P. D.; Mosenfelder, J. L.; Ahrens, T. J.; Sun, D.

2007-12-01

The Grüneisen parameter, γ, of solid materials normally decreases upon compression, approximately as γρq = constant where q=1. However, multiple lines of evidence now indicate the opposite behavior in silicate liquids, in which γ increases upon compression (i.e., q<0). This was observed in shock-melted (Mg,Fe)2SiO4 liquid by Brown et al. [1] via comparison of the Hugoniot and release velocity. We observed the same behavior in Mg2SiO4 liquid (q ≤ -1.5) from comparison of the Hugoniots of forsterite and wadsleyite [2]. First-principles molecular dynamics simulations of MgSiO3 liquid [3] confirm that γ increases with density and show that γ in the liquid phase mimics solids with similar Si coordination state. Hence a continuous increase in γ of silicate liquids to lowermost mantle pressures, well beyond the range where transition to six-coordination of Si is complete, suggests that even higher-coordinated species are forming in the melt and by extension there may be 8- coordinated silicate minerals with stability fields beginning not very far above the Earth's core-mantle boundary pressure [4]. We present new experimental evidence for this behavior in another liquid composition. The Hugoniot of 1400°C anorthite-diopside eutectic liquid was measured at low pressure by Rigden et al. [5] and extended to 110 GPa by our recent work. We collected a Hugoniot point on a solid aggregate of the same composition initially at room temperature, shocked into the melt regime at 133 GPa. The difference in internal energy between this point and the hot liquid Hugoniot allows determination of the γ of this aluminosilicate liquid at 50% compression; the result fits q = -1.85±0.2, entirely consistent with the behavior of enstatite, forsterite, and Fe- bearing olivine liquids. We suggested on the basis of an approximate calculation that the large γ of dense silicate liquids yields a liquid isentrope steeper than the liquidus of a lower mantle magma ocean [2]. Here we show a preliminary self-consistent thermodynamic model of the MgO-SiO2 binary that matches the phase diagrams of MgO, Mg2SiO4, MgSiO3, and SiO2 in the lower mantle, that incorporates negative q in the γ model of the liquid, and that allows calculation of pressure-entropy diagrams showing how model isentropes behave during cooling. We find that for peridotite or chondritic compositions, perovskite crystallization begins at an entropy maximum near 60 GPa. The consequences for geochemical evolution depend on whether these crystals remain turbulently suspended or fractionate [6]; in the case of suspension our model shows that the mush transition affects the entire lower mantle over a rather narrow range in potential temperature. Below this point the solidus does not have a maximum and normal decompression melting behavior is observed. 1. Brown et al., in High-Pressure Research in Mineral Physics, M.H. Manghnani and Y. Syono, Editors. 1987, AGU: Washington, DC. p. 373-384. 2. Mosenfelder et al., J. Geophys. Res., 2007. 112: p. B06208. 3. Stixrude & Karki, Science, 2005. 310(5746): p. 297-299. 4. Akins & Ahrens, Geophys. Res. Lett., 2002. 29(10): 1394-1397. 5. Rigden et al. J. Geophys. Res. 1988. 93(B1): p. 367-382. 6. Solomatov & Stevenson. J. Geophys. Res., 1993. 98(E3): p. 5375-5390.

Collective decision-making in microbes

PubMed Central

Ross-Gillespie, Adin; Kümmerli, Rolf

2014-01-01

Microbes are intensely social organisms that routinely cooperate and coordinate their activities to express elaborate population level phenotypes. Such coordination requires a process of collective decision-making, in which individuals detect and collate information not only from their physical environment, but also from their social environment, in order to arrive at an appropriately calibrated response. Here, we present a conceptual overview of collective decision-making as it applies to all group-living organisms; we introduce key concepts and principles developed in the context of animal and human group decisions; and we discuss, with appropriate examples, the applicability of each of these concepts in microbial contexts. In particular, we discuss the roles of information pooling, control skew, speed vs. accuracy trade-offs, local feedbacks, quorum thresholds, conflicts of interest, and the reliability of social information. We conclude that collective decision-making in microbes shares many features with collective decision-making in higher taxa, and we call for greater integration between this fledgling field and other allied areas of research, including in the humanities and the physical sciences. PMID:24624121

Cooperation, Coordination, and Trust in Virtual Teams: Insights from Virtual Games

NASA Astrophysics Data System (ADS)

Korsgaard, M. Audrey; Picot, Arnold; Wigand, Rolf T.; Welpe, Isabelle M.; Assmann, Jakob J.

This chapter considers fundamental concepts of effective virtual teams, illustrated by research on Travian, a massively multiplayer online strategy game wherein players seek to build empires. Team inputs are the resources that enable individuals to work interdependently toward a common goal, including individual and collective capabilities, shared knowledge structures, and leadership style. Team processes, notably coordination and cooperation, transform team inputs to desired collective outcomes. Because the members of virtual teams are geographically dispersed, relying on information and communication technology, three theories are especially relevant for understanding how they can function effectively: social presence theory, media richness theory, and media synchronicity theory. Research in settings like Travian can inform our understanding of structures, processes, and performance of virtual teams. Such research could provide valuable insight into the emergence and persistence of trust and cooperation, as well as the impact of different communication media for coordination and information management in virtual organizations.

Compton scattering collision module for OSIRIS

NASA Astrophysics Data System (ADS)

Del Gaudio, Fabrizio; Grismayer, Thomas; Fonseca, Ricardo; Silva, Luís

2017-10-01

Compton scattering plays a fundamental role in a variety of different astrophysical environments, such as at the gaps of pulsars and the stagnation surface of black holes. In these scenarios, Compton scattering is coupled with self-consistent mechanisms such as pair cascades. We present the implementation of a novel module, embedded in the self-consistent framework of the PIC code OSIRIS 4.0, capable of simulating Compton scattering from first principles and that is fully integrated with the self-consistent plasma dynamics. The algorithm accounts for the stochastic nature of Compton scattering reproducing without approximations the exchange of energy between photons and unbound charged species. We present benchmarks of the code against the analytical results of Blumenthal et al. and the numerical solution of the linear Kompaneets equation and good agreement is found between the simulations and the theoretical models. This work is supported by the European Research Council Grant (ERC- 2015-AdG 695088) and the Fundao para a Céncia e Tecnologia (Bolsa de Investigao PD/BD/114323/2016).

Performance of local orbital basis sets in the self-consistent Sternheimer method for dielectric matrices of extended systems

NASA Astrophysics Data System (ADS)

Hübener, H.; Pérez-Osorio, M. A.; Ordejón, P.; Giustino, F.

2012-09-01

We present a systematic study of the performance of numerical pseudo-atomic orbital basis sets in the calculation of dielectric matrices of extended systems using the self-consistent Sternheimer approach of [F. Giustino et al., Phys. Rev. B 81, 115105 (2010)]. In order to cover a range of systems, from more insulating to more metallic character, we discuss results for the three semiconductors diamond, silicon, and germanium. Dielectric matrices of silicon and diamond calculated using our method fall within 1% of reference planewaves calculations, demonstrating that this method is promising. We find that polarization orbitals are critical for achieving good agreement with planewaves calculations, and that only a few additional ζ's are required for obtaining converged results, provided the split norm is properly optimized. Our present work establishes the validity of local orbital basis sets and the self-consistent Sternheimer approach for the calculation of dielectric matrices in extended systems, and prepares the ground for future studies of electronic excitations using these methods.

A space-based climatology of diurnal MLT tidal winds, temperatures and densities from UARS wind measurements

NASA Astrophysics Data System (ADS)

Svoboda, Aaron A.; Forbes, Jeffrey M.; Miyahara, Saburo

2005-11-01

A self-consistent global tidal climatology, useful for comparing and interpreting radar observations from different locations around the globe, is created from space-based Upper Atmosphere Research Satellite (UARS) horizontal wind measurements. The climatology created includes tidal structures for horizontal winds, temperature and relative density, and is constructed by fitting local (in latitude and height) UARS wind data at 95 km to a set of basis functions called Hough mode extensions (HMEs). These basis functions are numerically computed modifications to Hough modes and are globally self-consistent in wind, temperature, and density. We first demonstrate this self-consistency with a proxy data set from the Kyushu University General Circulation Model, and then use a linear weighted superposition of the HMEs obtained from monthly fits to the UARS data to extrapolate the global, multi-variable tidal structure. A brief explanation of the HMEs’ origin is provided as well as information about a public website that has been set up to make the full extrapolated data sets available.

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.

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

Low-density homogeneous symmetric nuclear matter: Disclosing dinucleons in coexisting phases

NASA Astrophysics Data System (ADS)

Arellano, Hugo F.; Delaroche, Jean-Paul

2015-01-01

The effect of in-medium dinucleon bound states on self-consistent single-particle fields in Brueckner, Bethe and Goldstone theory is investigated in symmetric nuclear matter at zero temperature. To this end, dinucleon bound state occurences in the 1 S 0 and 3 SD 1 channels are explicitly accounted for --within the continuous choice for the auxiliary fields-- while imposing self-consistency in Brueckner-Hartree-Fock approximation calculations. Searches are carried out at Fermi momenta in the range fm-1, using the Argonne bare nucleon-nucleon potential without resorting to the effective-mass approximation. As a result, two distinct solutions meeting the self-consistency requirement are found with overlapping domains in the interval 0.130 fm-1 0.285 fm-1, corresponding to mass densities between and g cm-3. Effective masses as high as three times the nucleon mass are found in the coexistence domain. The emergence of superfluidity in relationship with BCS pairing gap solutions is discussed.

Self-consistent conversion of a viscous fluid to particles

NASA Astrophysics Data System (ADS)

Molnar, Denes; Wolff, Zack

2017-02-01

Comparison of hydrodynamic and "hybrid" hydrodynamics+transport calculations with heavy-ion data inevitably requires the conversion of the fluid to particles. For dissipative fluids the conversion is ambiguous without additional theory input complementing hydrodynamics. We obtain self-consistent shear viscous phase-space corrections from linearized Boltzmann transport theory for a gas of hadrons. These corrections depend on the particle species, and incorporating them in Cooper-Frye freeze-out affects identified particle observables. For example, with additive quark model cross sections, proton elliptic flow is larger than pion elliptic flow at moderately high pT in Au+Au collisions at the BNL Relativistic Heavy Ion Collider. This is in contrast to Cooper-Frye freeze-out with the commonly used "democratic Grad" ansatz that assumes no species dependence. Various analytic and numerical results are also presented for massless and massive two-component mixtures to better elucidate how species dependence arises. For convenient inclusion in pure hydrodynamic and hybrid calculations, Appendix G contains self-consistent viscous corrections for each species both in tabulated and parametrized form.

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.

Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST.

PubMed

Xu, X Q

2008-07-01

We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (psi,theta,micro) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST

NASA Astrophysics Data System (ADS)

Xu, X. Q.

2008-07-01

We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (ψ,θ,γ,μ) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory

NASA Astrophysics Data System (ADS)

Phillips, Jordan J.; Zgid, Dominika

2014-06-01

We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix form in an atomic orbital basis, where the Green's function and self-energy are built on the imaginary frequency and imaginary time domain, respectively, and fast Fourier transform is used to efficiently transform these quantities as needed. We apply this method to several archetypical examples of strong correlation, such as a H32 finite lattice that displays a highly multireference electronic ground state even at equilibrium lattice spacing. In all cases, GF2 gives a physically meaningful description of the metal to insulator transition in these systems, without resorting to spin-symmetry breaking. Our results show that self-consistent Green's function many-body theory offers a viable route to describing strong correlations while remaining within a computationally tractable single-particle formalism.

Self-consistent theory of nanodomain formation on non-polar surfaces of ferroelectrics

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

Morozovska, Anna N.; Obukhovskii, Vyacheslav; Fomichov, Evhen

2016-04-28

We propose a self-consistent theoretical approach capable of describing the features of the anisotropic nanodomain formation induced by a strongly inhomogeneous electric field of a charged scanning probe microscopy tip on nonpolar cuts of ferroelectrics. We obtained that a threshold field, previously regarded as an isotropic parameter, is an anisotropic function that is specified from the polar properties and lattice pinning anisotropy of a given ferroelectric in a self-consistent way. The proposed method for the calculation of the anisotropic threshold field is not material specific, thus the field should be anisotropic in all ferroelectrics with the spontaneous polarization anisotropy alongmore » the main crystallographic directions. The most evident examples are uniaxial ferroelectrics, layered ferroelectric perovskites, and low-symmetry incommensurate ferroelectrics. Obtained results quantitatively describe the differences at several times in the nanodomain length experimentally observed on X and Y cuts of LiNbO3 and can give insight into the anisotropic dynamics of nanoscale polarization reversal in strongly inhomogeneous electric fields.« less

Dynamical electron-phonon coupling, G W self-consistency, and vertex effect on the electronic band gap of ice and liquid water

NASA Astrophysics Data System (ADS)

Ziaei, Vafa; Bredow, Thomas

2017-06-01

We study the impact of dynamical electron-phonon (el-ph) effects on the electronic band gap of ice and liquid water by accounting for frequency-dependent Fan contributions in the el-ph mediated self-energy within the many-body perturbation theory (MBPT). We find that the dynamical el-ph coupling effects greatly reduce the static el-ph band-gap correction of the hydrogen-rich molecular ice crystal from-2.46 to -0.23 eV in great contrast to the result of Monserrat et al. [Phys. Rev. B 92, 140302 (2015), 10.1103/PhysRevB.92.140302]. This is of particular importance as otherwise the static el-ph gap correction would considerably reduce the electronic band gap, leading to considerable underestimation of the intense peaks of optical absorption spectra of ice which would be in great disagreement to experimental references. By contrast, the static el-ph gap correction of liquid water is very moderate (-0.32 eV), and inclusion of dynamical effects slightly reduces the gap correction to -0.19 eV. Further, we determine the diverse sensitivity of ice and liquid water to the G W self-consistency and show that the energy-only self-consistent approach (GnWn ) exhibits large implicit vertex character in comparison to the quasiparticle self-consistent approach, for which an explicit calculation of vertex corrections is necessary for good agreement with experiment.

Effect of self-consistency group intervention for adolescents with schizophrenia: An inpatient randomized controlled trial.

PubMed

She, Pan; Zeng, Hongling; Yang, Bingxiang

2016-02-01

The aim of the study was to explore the efficacy of structural group therapy on the self-consistency and congruence of inpatient adolescents with a diagnosis of schizophrenia. Sixty inpatient adolescents with schizophrenia were randomly assigned to an intervention group (n = 30) and a control group (n = 30). The intervention group was provided with a 12-session structural group therapy program for six weeks (1 h, two times per week), while the control group participated in a handicraft group. All patients were assessed with the Self-Consistency and Congruence Scale (SCCS) and the Positive and Negative Syndrome Scale (PANSS) at pretest, posttest, three-month and one-year follow-up. The results were analyzed using t-test and repeated measures ANOVA. The two groups had no significant difference at the pre-test of outcome measures (p > 0.05). Significant differences existed between the two groups in ego-dystonic, self-flexibility, SCCS scores, positive syndrome, general psychopathology and PANSS scores after the intervention (p < 0.05). At the three-month follow-up, ego-dystonic, self-flexibility and PANSS scores were also found to be significantly different between the two groups (p < 0.05). But the outcome measures were not significantly different between the two groups at the one-year follow-up. Structural group therapy in a mental health setting had a positive effect on improving self-consistency and congruence, positive symptoms and general psychopathology of inpatient adolescents with a diagnosis of schizophrenia. Copyright © 2015 Elsevier Ltd. All rights reserved.

Storm time plasma transport in a unified and inter-coupled global magnetosphere model

NASA Astrophysics Data System (ADS)

Ilie, R.; Liemohn, M. W.; Toth, G.

2014-12-01

We present results from the two-way self-consistent coupling between the kinetic Hot Electron and Ion Drift Integrator (HEIDI) model and the Space Weather Modeling Framework (SWMF). HEIDI solves the time dependent, gyration and bounced averaged kinetic equation for the phase space density of different ring current species and computes full pitch angle distributions for all local times and radial distances. During geomagnetic times the dipole approximation becomes unsuitable even in the inner magnetosphere. Therefore the HEIDI model was generalized to accommodate an arbitrary magnetic field and through the coupling with SWMF it obtains a magnetic field description throughout the HEIDI domain along with a plasma distribution at the model outer boundary from the Block Adaptive Tree Solar Wind Roe Upwind Scheme (BATS-R-US) magnetohydrodynamics (MHD) model within SWMF. Electric field self-consistency is assured by the passing of convection potentials from the Ridley Ionosphere Model (RIM) within SWMF. In this study we test the various levels of coupling between the 3 physics based models, highlighting the role that the magnetic field, plasma sheet conditions and the cross polar cap potential play in the formation and evolution of the ring current. We show that the dynamically changing geospace environment itself plays a key role in determining the geoeffectiveness of the driver. The results of the self-consistent coupling between HEIDI, BATS-R-US and RIM during disturbed conditions emphasize the importance of a kinetic self-consistent approach to the description of geospace.

Exploring the limits of the self-consistent Born approximation for inelastic electronic transport

NASA Astrophysics Data System (ADS)

Lee, William; Jean, Nicola; Sanvito, Stefano

2009-02-01

The nonequilibrium Green’s function formalism is today the standard computational method for describing elastic transport in molecular devices. This can be extended to include inelastic scattering by the so-called self-consistent Born approximation (SCBA), where the interaction of the electrons with the vibrations of the molecule is assumed to be weak and it is treated perturbatively. The validity of such assumption and therefore of the SCBA is difficult to establish with certainty. In this work we explore the limitations of the SCBA by using a simple tight-binding model with the electron-phonon coupling strength α chosen as a free parameter. As model devices we consider Au monatomic chains and a H2 molecule sandwiched between Pt electrodes. In both cases, our self-consistent calculations demonstrate a breakdown of the SCBA for large α and we identify a weak and a strong-coupling regime. For weak coupling our SCBA results compare closely with those obtained with exact scattering theory. However in the strong-coupling regime large deviations are found. In particular we demonstrate that there is a critical coupling strength, characteristic of the materials system, beyond which multiple self-consistent solutions can be found depending on the initial conditions in the simulation. These are entirely due to the large contribution of the Hartree self-energy and completely disappear when this is neglected. We attribute this feature to the breakdown of the perturbative expansion leading to the SCBA.

Dust particle radial confinement in a dc glow discharge.

PubMed

Sukhinin, G I; Fedoseev, A V; Antipov, S N; Petrov, O F; Fortov, V E

2013-01-01

A self-consistent nonlocal model of the positive column of a dc glow discharge with dust particles is presented. Radial distributions of plasma parameters and the dust component in an axially homogeneous glow discharge are considered. The model is based on the solution of a nonlocal Boltzmann equation for the electron energy distribution function, drift-diffusion equations for ions, and the Poisson equation for a self-consistent electric field. The radial distribution of dust particle density in a dust cloud was fixed as a given steplike function or was chosen according to an equilibrium Boltzmann distribution. The balance of electron and ion production in argon ionization by an electron impact and their losses on the dust particle surface and on the discharge tube walls is taken into account. The interrelation of discharge plasma and the dust cloud is studied in a self-consistent way, and the radial distributions of the discharge plasma and dust particle parameters are obtained. It is shown that the influence of the dust cloud on the discharge plasma has a nonlocal behavior, e.g., density and charge distributions in the dust cloud substantially depend on the plasma parameters outside the dust cloud. As a result of a self-consistent evolution of plasma parameters to equilibrium steady-state conditions, ionization and recombination rates become equal to each other, electron and ion radial fluxes become equal to zero, and the radial component of electric field is expelled from the dust cloud.

Self-Consistent Ring Current Modeling with Propagating Electromagnetic Ion Cyclotron Waves in the Presence of Heavy Ions

NASA Technical Reports Server (NTRS)

Khazanov, George V.

2006-01-01

The self-consistent treatment of the RC ion dynamics and EMIC waves, which are thought to exert important influences on the ion dynamical evolution, is an important missing element in our understanding of the storm-and recovery-time ring current evolution. Under certain conditions, relativistic electrons, with energies 21 MeV, can be removed from the outer radiation belt by EMIC wave scattering during a magnetic storm. That is why the modeling of EMIC waves is critical and timely issue in magnetospheric physics. To describe the RC evolution itself this study uses the ring current-atmosphere interaction model (RAM). RAM solves the gyration and bounce-averaged Boltzmann-Landau equation inside of geosynchronous orbit. Originally developed at the University of Michigan, there are now several branches of this model currently in use as describe by Liemohn namely those at NASA Goddard Space Flight Center This study will generalize the self-consistent theoretical description of RC ions and EMIC waves that has been developed by Khazanov and include the heavy ions and propagation effects of EMIC waves in the global dynamic of self-consistent RC - EMIC waves coupling. The results of our newly developed model that will be presented at GEM meeting, focusing mainly on the dynamic of EMIC waves and comparison of these results with the previous global RC modeling studies devoted to EMIC waves formation. We also discuss RC ion precipitations and wave induced thermal electron fluxes into the ionosphere.

Self-Consistent Ring Current/Electromagnetic Ion Cyclotron Waves Modeling

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Gamayunov, K. V.; Gallagher, D. L.

2006-01-01

The self-consistent treatment of the RC ion dynamics and EMIC waves, which are thought to exert important influences on the ion dynamical evolution, is an important missing element in our understanding of the storm-and recovery-time ring current evolution. For example, the EMlC waves cause the RC decay on a time scale of about one hour or less during the main phase of storms. The oblique EMIC waves damp due to Landau resonance with the thermal plasmaspheric electrons, and subsequent transport of the dissipating wave energy into the ionosphere below causes an ionosphere temperature enhancement. Under certain conditions, relativistic electrons, with energies 21 MeV, can be removed from the outer radiation belt by EMIC wave scattering during a magnetic storm. That is why the modeling of EMIC waves is critical and timely issue in magnetospheric physics. This study will generalize the self-consistent theoretical description of RC ions and EMIC waves that has been developed by Khazanov et al. [2002, 2003] and include the heavy ions and propagation effects of EMIC waves in the global dynamic of self-consistent RC - EMIC waves coupling. The results of our newly developed model that will be presented at the meeting, focusing mainly on the dynamic of EMIC waves and comparison of these results with the previous global RC modeling studies devoted to EMIC waves formation. We also discuss RC ion precipitations and wave induced thermal electron fluxes into the ionosphere.

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Dynamics of Electron Transfer for a Nonsuperexchange Coherent Mechanism. I

DTIC Science & Technology

1989-10-13

observation. In the treatment three collective nuclear coordinates are introduced, permitting independent reorganization energies for each reactive center... nuclear coordinates are introduced, permitting independent reorganization energies for each reactive center. With certain approximations, namely, equal...numerically. One rough but simple analytical result for the latter is also given. tPresent address: Departmento de Quimica , Facultad de Ciencias

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.

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Patterns of coordination and clinical outcomes: a study of surgical services.

PubMed Central

Young, G J; Charns, M P; Desai, K; Khuri, S F; Forbes, M G; Henderson, W; Daley, J

1998-01-01

OBJECTIVE: To test the hypothesis that surgical services combining relatively high levels of feedback and programming approaches to the coordination of surgical staff would have better quality of care than surgical services using low levels of both coordination approaches as well as those surgical service using low levels of either coordination approach. STUDY SETTING: A study sample of 44 academically affiliated surgical services that are part of the Department of Veterans Affairs. STUDY DESIGN: In a cross-sectional analysis, surgical services were assigned to one of three groups based on their scores on feedback and programming coordination measures: high on both measures; high on one measure, low on the other; and low on both. Univariate and multivariate analyses were used to assess differences among these groups with respect to three quality indicators: risk-adjusted mortality, risk-adjusted morbidity, and staff perceptions of quality. DATA COLLECTION/EXTRACTION METHODS: Risk-adjusted mortality and morbidity came from an outcomes reporting program within the Department of Veterans Affairs that entails the prospective collection of clinical data from patient charts. Data on coordination practices and perceived quality came from a survey of surgical staff at each of the 44 participating surgical services. PRINCIPAL FINDINGS: The group of surgical services using high feedback and high programming had the best perceived quality. This group also had the lowest morbidity, but the difference was statistically significant with respect to only one of the two other groups: the group with low feedback and low programming. No significant group differences were found for mortality. CONCLUSIONS: Study results provide partial support for the hypothesis that high levels of feedback and programming should be combined for optimal quality of care. Study results also suggest that staff coordination is more important for improving morbidity than mortality in surgical services. PMID:9865218

Emergence of HGF/SF-Induced Coordinated Cellular Motility

PubMed Central

Zaritsky, Assaf; Natan, Sari; Ben-Jacob, Eshel; Tsarfaty, Ilan

2012-01-01

Collective cell migration plays a major role in embryonic morphogenesis, tissue remodeling, wound repair and cancer invasion. Despite many decades of extensive investigations, only few analytical tools have been developed to enhance the biological understanding of this important phenomenon. Here we present a novel quantitative approach to analyze long term kinetics of bright field time-lapse wound healing. Fully-automated spatiotemporal measures and visualization of cells' motility and implicit morphology were proven to be sound, repetitive and highly informative compared to single-cell tracking analysis. We study cellular collective migration induced by tyrosine kinase-growth factor signaling (Met-Hepatocyte Growth Factor/Scatter Factor (HGF/SF)). Our quantitative approach is applied to demonstrate that collective migration of the adenocarcinoma cell lines is characterized by simple morpho-kinetics. HGF/SF induces complex morpho-kinetic coordinated collective migration: cells at the front move faster and are more spread than those further away from the wound edge. As the wound heals, distant cells gradually accelerate and enhance spread and elongation –resembling the epithelial to mesenchymal transition (EMT), and then the cells become more spread and maintain higher velocity than cells located closer to the wound. Finally, upon wound closure, front cells halt, shrink and round up (resembling mesenchymal to epithelial transition (MET) phenotype) while distant cells undergo the same process gradually. Met inhibition experiments further validate that Met signaling dramatically alters the morpho-kinetic dynamics of the healing wound. Machine-learning classification was applied to demonstrate the generalization of our findings, revealing even subtle changes in motility patterns induced by Met-inhibition. It is concluded that activation of Met-signaling induces an elaborated model in which cells lead a coordinated increased motility along with gradual differentiation-based collective cell motility dynamics. Our quantitative phenotypes may guide future investigation on the molecular and cellular mechanisms of tyrosine kinase-induced coordinate cell motility and morphogenesis in metastasis. PMID:22970283

An Approach for High-precision Stand-alone Positioning in a Dynamic Environment

NASA Astrophysics Data System (ADS)

Halis Saka, M.; Metin Alkan, Reha; Ozpercin, Alişir

2015-04-01

In this study, an algorithm is developed for precise positioning in dynamic environment utilizing a single geodetic GNSS receiver using carrier phase data. In this method, users should start the measurement on a known point near the project area for a couple of seconds making use of a single dual-frequency geodetic-grade receiver. The technique employs iono-free carrier phase observations with precise products. The equation of the algorithm is given below; Sm(t(i+1))=SC(ti)+[ΦIF (t(i+1) )-ΦIF (ti)] where, Sm(t(i+1)) is the phase-range between satellites and the receiver, SC(ti) is the initial range computed from the initial known point coordinates and the satellite coordinates and ΦIF is the ionosphere-free phase measurement (in meters). Tropospheric path delays are modelled using the standard tropospheric model. To accomplish the process, an in-house program was coded and some functions were adopted from Easy-Suite available at http://kom.aau.dk/~borre/easy. In order to assess the performance of the introduced algorithm in a dynamic environment, a dataset from a kinematic test measurement was used. The data were collected from a kinematic test measurement in Istanbul, Turkey. In the test measurement, a geodetic dual-frequency GNSS receiver, Ashtech Z-Xtreme, was set up on a known point on the shore and a couple of epochs were recorded for initialization. The receiver was then moved to a vessel and data were collected for approximately 2.5 hours and the measurement was finalized on a known point on the shore. While the kinematic measurement on the vessel were carried out, another GNSS receiver was set up on a geodetic point with known coordinates on the shore and data were collected in static mode to calculate the reference trajectory of the vessel using differential technique. The coordinates of the vessel were calculated for each measurement epoch with the introduced method. With the purpose of obtaining more robust results, all coordinates were calculated once again by inversely, i.e. from the last epoch to the first one. In this way, the estimated coordinates were also controlled. The average of both computed coordinates were used as vessel coordinates and then compared with the known-coordinates those of geodetic receiver epoch by epoch. The results indicate that the calculated coordinates from the introduced method are consistent with the reference trajectory with an accuracy of about 1 decimeter. In contrast, the findings imply lower accuracy for height components with an accuracy of about 2 decimeters. This accuracy level meets the requirement of many applications including some marine applications, precise hydrographic surveying, dredging, attitude control of ships, buoys and floating platforms, marine geodesy, navigation and oceanography.

Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: Charge-bond resonance in monomethine cyanines

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

Olsen, Seth, E-mail: seth.olsen@uq.edu.au

2015-01-28

This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed (“microcanonical”) SA-CASSCF ensembles, self-consistency is invariant tomore » any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with “more diabatic than adiabatic” states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse “temperature,” unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space valence-bond (CASVB) analysis of the charge/bond resonance electronic structure of a monomethine cyanine: Michler’s hydrol blue. The diabatic CASVB representation is shown to vary weakly for “temperatures” corresponding to visible photon energies. Canonical-ensemble SA-CASSCF enables the resolution of energies and couplings for all covalent and ionic CASVB structures contributing to the SA-CASSCF ensemble. The CASVB solution describes resonance of charge- and bond-localized electronic structures interacting via bridge resonance superexchange. The resonance couplings can be separated into channels associated with either covalent charge delocalization or chemical bonding interactions, with the latter significantly stronger than the former.« less

Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: charge-bond resonance in monomethine cyanines.

PubMed

Olsen, Seth

2015-01-28

This paper reviews basic results from a theory of the a priori classical probabilities (weights) in state-averaged complete active space self-consistent field (SA-CASSCF) models. It addresses how the classical probabilities limit the invariance of the self-consistency condition to transformations of the complete active space configuration interaction (CAS-CI) problem. Such transformations are of interest for choosing representations of the SA-CASSCF solution that are diabatic with respect to some interaction. I achieve the known result that a SA-CASSCF can be self-consistently transformed only within degenerate subspaces of the CAS-CI ensemble density matrix. For uniformly distributed ("microcanonical") SA-CASSCF ensembles, self-consistency is invariant to any unitary CAS-CI transformation that acts locally on the ensemble support. Most SA-CASSCF applications in current literature are microcanonical. A problem with microcanonical SA-CASSCF models for problems with "more diabatic than adiabatic" states is described. The problem is that not all diabatic energies and couplings are self-consistently resolvable. A canonical-ensemble SA-CASSCF strategy is proposed to solve the problem. For canonical-ensemble SA-CASSCF, the equilibrated ensemble is a Boltzmann density matrix parametrized by its own CAS-CI Hamiltonian and a Lagrange multiplier acting as an inverse "temperature," unrelated to the physical temperature. Like the convergence criterion for microcanonical-ensemble SA-CASSCF, the equilibration condition for canonical-ensemble SA-CASSCF is invariant to transformations that act locally on the ensemble CAS-CI density matrix. The advantage of a canonical-ensemble description is that more adiabatic states can be included in the support of the ensemble without running into convergence problems. The constraint on the dimensionality of the problem is relieved by the introduction of an energy constraint. The method is illustrated with a complete active space valence-bond (CASVB) analysis of the charge/bond resonance electronic structure of a monomethine cyanine: Michler's hydrol blue. The diabatic CASVB representation is shown to vary weakly for "temperatures" corresponding to visible photon energies. Canonical-ensemble SA-CASSCF enables the resolution of energies and couplings for all covalent and ionic CASVB structures contributing to the SA-CASSCF ensemble. The CASVB solution describes resonance of charge- and bond-localized electronic structures interacting via bridge resonance superexchange. The resonance couplings can be separated into channels associated with either covalent charge delocalization or chemical bonding interactions, with the latter significantly stronger than the former.

International Coordination of Exploring and Using Lunar Polar Volatiles

NASA Technical Reports Server (NTRS)

Gruener, J. E.; Suzuki, N. H.; Carpenter, J. D.

2016-01-01

Fourteen international space agencies are participating in the International Space Exploration Coordination Group (ISECG), working together to advance a long-range strategy for human and robotic space exploration beyond low earth orbit. The ISECG is a voluntary, non-binding international coordination mechanism through which individual agencies may exchange information regarding interests, objectives, and plans in space exploration with the goal of strengthening both individual exploration programs as well as the collective effort. The ISECG has developed a Global Exploration Roadmap (GER) that reflects the coordinated international dialog and continued preparation for exploration beyond low-Earth orbit, beginning with the Moon and cis-lunar space, and continuing to near-Earth asteroids, and Mars.

Collective properties of low-lying octupole excitations in 20882Pb126, 6020Ca40 and 288O20

NASA Astrophysics Data System (ADS)

Zhou, X. R.; Zhao, E. G.; Dong, B. G.; Zhang, X. Z.; Long, G. L.

2003-08-01

The octupole strengths of three nuclei: β-stable nucleus 20882Pb 126, neutron skin nucleus 6020Ca 40 and neutron drip line nucleus 288O 20 are studied by using the self-consistent Hartree-Fock calculation with the random phase approximation. The collective properties of low-lying excitations are analyzed by particle-vibration coupling. The results show that there is the coexistence of the collective excitations and the decoupled strong continuum strength near the threshold in the lowest isoscalar states in 6020Ca 40 and 288O 20. For these three nuclei, both the low-lying isoscalar states and giant isoscalar resonance carry isovector strength. The ratio B(IV)/ B(IS) is checked and it is found that, for 20882Pb 126, the ratio is equal to (( N- Z)/ A) 2 in good accuracy, while for 6020Ca 40 and 288O 20, the ratios are much larger than (( N- Z)/ A) 2. The study shows that the enhancement of the ratio is due to the excess neutrons that have small binding energies in 6020Ca 40 and 288O 20.

76 FR 47566 - Agency Information Collection Extension; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-05

... DEPARTMENT OF ENERGY Office of Energy Efficiency and Renewable Energy Agency Information Collection Extension; Correction AGENCY: Office of Energy Efficiency and Renewable Energy, U.S. Department of... INFORMATION CONTACT: Benjamin Goldstein, Buy American Coordinator, Office of Energy Efficiency and Renewable...

A qualitative analysis of success stories from Michiana Coordinated School Health Leadership institute participants.

PubMed

Dewitt, Natalie; Lohrmann, David K; O'Neill, James; Clark, Jeffrey K

2011-12-01

The purpose of this study was to detect and document common themes among success stories, along with challenges, as related by participants in the Michiana Coordinated School Health Leadership Institute. Four-member teams from 18 Michigan and Indiana school districts participated in semiannual Institute workshops over a 3-year period and were tasked with implementing Coordinated School Health Programs (CSHPs). Qualitative methods were used to generate themes from interviews. Data were gathered through a combined survey/interview process related to programmatic successes, evidence of success, and implementation challenges. One participant from 11 of 18 participating school districts completed the survey/interview. Each participant reported at least 1 success that had a positive effect on students and/or staff, many of which were related to the federally mandated wellness policy. With some notable exceptions, success was based on subjective judgments rather than systematically collected data. Unanimous expression of time constraints and being overworked in their current positions constituted major challenges. Although the Institute required only process evaluation, some participants collected outcome data, a task that is important in validating the benefits of CSHPs. Most districts were not able to hire the recommended coordinator to ensure implementation of health program planning initially developed during the institute. Encouragingly, at the time of data collection many teams were still acting to ensure health programming remained a priority. Nevertheless, without the network of social support provided by the Institute, some respondents struggled to maintain momentum. © 2011, American School Health Association.

Electric dipole moment of diatomic molecules by configuration interaction. V - Two states of /2/Sigma/+/ symmetry in CN.

NASA Technical Reports Server (NTRS)

Green, S.

1972-01-01

Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.

Data selection techniques in the interpretation of MAGSAT data over Australia

NASA Technical Reports Server (NTRS)

Johnson, B. D.; Dampney, C. N. G.

1983-01-01

The MAGSAT data require critical selection in order to produce a self-consistent data set suitable for map construction and subsequent interpretation. Interactive data selection techniques are described which involve the use of a special-purpose profile-oriented data base and a colour graphics display. The careful application of these data selection techniques permits validation every data value and ensures that the best possible self-consistent data set is being used to construct the maps of the magnetic field measured at satellite altitudes over Australia.

Self-consistency in the phonon space of the particle-phonon coupling model

NASA Astrophysics Data System (ADS)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

2018-04-01

In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

Numerical study of a multigrid method with four smoothing methods for the incompressible Navier-Stokes equations in general coordinates

NASA Technical Reports Server (NTRS)

Zeng, S.; Wesseling, P.

1993-01-01

The performance of a linear multigrid method using four smoothing methods, called SCGS (Symmetrical Coupled GauBeta-Seidel), CLGS (Collective Line GauBeta-Seidel), SILU (Scalar ILU), and CILU (Collective ILU), is investigated for the incompressible Navier-Stokes equations in general coordinates, in association with Galerkin coarse grid approximation. Robustness and efficiency are measured and compared by application to test problems. The numerical results show that CILU is the most robust, SILU the least, with CLGS and SCGS in between. CLGS is the best in efficiency, SCGS and CILU follow, and SILU is the worst.

Variational approach to studying solitary waves in the nonlinear Schrödinger equation with complex potentials

DOE PAGES

Mertens, Franz G.; Cooper, Fred; Arevalo, Edward; ...

2016-09-15

Here in this paper, we discuss the behavior of solitary wave solutions of the nonlinear Schrödinger equation (NLSE) as they interact with complex potentials, using a four-parameter variational approximation based on a dissipation functional formulation of the dynamics. We concentrate on spatially periodic potentials with the periods of the real and imaginary part being either the same or different. Our results for the time evolution of the collective coordinates of our variational ansatz are in good agreement with direct numerical simulation of the NLSE. We compare our method with a collective coordinate approach of Kominis and give examples where themore » two methods give qualitatively different answers. In our variational approach, we are able to give analytic results for the small oscillation frequency of the solitary wave oscillating parameters which agree with the numerical solution of the collective coordinate equations. We also verify that instabilities set in when the slope dp(t)/dv(t) becomes negative when plotted parametrically as a function of time, where p(t) is the momentum of the solitary wave and v(t) the velocity.« less

Variational approach to studying solitary waves in the nonlinear Schrödinger equation with complex potentials

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

Mertens, Franz G.; Cooper, Fred; Arevalo, Edward

Here in this paper, we discuss the behavior of solitary wave solutions of the nonlinear Schrödinger equation (NLSE) as they interact with complex potentials, using a four-parameter variational approximation based on a dissipation functional formulation of the dynamics. We concentrate on spatially periodic potentials with the periods of the real and imaginary part being either the same or different. Our results for the time evolution of the collective coordinates of our variational ansatz are in good agreement with direct numerical simulation of the NLSE. We compare our method with a collective coordinate approach of Kominis and give examples where themore » two methods give qualitatively different answers. In our variational approach, we are able to give analytic results for the small oscillation frequency of the solitary wave oscillating parameters which agree with the numerical solution of the collective coordinate equations. We also verify that instabilities set in when the slope dp(t)/dv(t) becomes negative when plotted parametrically as a function of time, where p(t) is the momentum of the solitary wave and v(t) the velocity.« less

Barriers to and Facilitators of Inter-Organizational Coordination in Response to Disasters: A Grounded Theory Approach.

PubMed

Bahadori, Mohammadkarim; Khankeh, Hamid Reza; Zaboli, Rouhollah; Ravangard, Ramin; Malmir, Isa

2017-06-01

Coordination is a major challenge in the field of health in disasters, mostly because of the complex nature of health-related activities. This was a qualitative study based on the grounded theory approach. A total of 22 experts in the field of health in disasters participated in the study. The data were collected through in-depth interviews and literature review. The collected data were then analyzed by use of MAXQDA 2010 software (VERBI Software GmbH). The lack of a strategic view in the field of health in disasters, a lack of coordination of necessities and infrastructures, insufficient enforcement, a higher priority given to an organizational approach rather than a national approach, and the field of disasters not being a priority in the health system were noted as barriers to inter-organizational coordination. The facilitators of inter-organizational coordination noted were the importance of public participation in the field of health in disasters, having a process and systematic view in the field of health in disasters, the necessity of understanding and managing resources and information in the field of health in disasters, and having a feedback and evaluation system in the health system after disasters. It is recommended that developing common beliefs and goals be given priority in making plans and policies in the field of health in disasters. (Disaster Med Public Health Preparedness. 2017;11:318-325).

Efficiency and the Rise of State Coordinating Boards for Higher Education 1905-1945. ASHE Annual Meeting 1980 Paper.

ERIC Educational Resources Information Center

Williams, Donald T., Jr.

Developments in American higher education from 1905-1945 to increase efficiency and coordination are discussed. Data were collected on the costs of instruction, utilization of facilities, and the distribution of faculty time in order to find ways to reduce wastage and increase efficiency. A certain amount of this wastage resulted from competition…

Wide-Angle Multistatic Synthetic Aperture Radar: Focused Image Formation and Aliasing Artifact Mitigation

DTIC Science & Technology

2005-07-01

Progress in Applied Computational Electro- magnetics. ACES, Syracuse, NY, 2004. 91. Mahafza, Bassem R. Radar Systems Analysis and Design Using MATLAB...Figure Page 4.5. RCS chamber coordinate system . . . . . . . . . . . . . . . . . 88 4.6. AFIT’s RCS Chamber...4.11. Frequency domain schematic of RCS data collection . . . . . . 98 4.12. Spherical coordinate system for RCS data calibration . . . . . . 102 4.13

Linux OS Jitter Measurements at Large Node Counts using a BlueGene/L

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

Jones, Terry R; Tauferner, Mr. Andrew; Inglett, Mr. Todd

2010-01-01

We present experimental results for a coordinated scheduling implementation of the Linux operating system. Results were collected on an IBM Blue Gene/L machine at scales up to 16K nodes. Our results indicate coordinated scheduling was able to provide a dramatic improvement in scaling performance for two applications characterized as bulk synchronous parallel programs.

EXEL; Experience for Children in Learning. Parent-Directed Activities to Develop: Oral Expression, Visual Discrimination, Auditory Discrimination, Motor Coordination.

ERIC Educational Resources Information Center

Behrmann, Polly; Millman, Joan

The activities collected in this handbook are planned for parents to use with their children in a learning experience. They can also be used in the classroom. Sections contain games designed to develop visual discrimination, auditory discrimination, motor coordination and oral expression. An objective is given for each game, and directions for…

The Risk of Reduced Physical Activity in Children with Probable Developmental Coordination Disorder: A Prospective Longitudinal Study

ERIC Educational Resources Information Center

Green, Dido; Lingam, Raghu; Mattocks, Calum; Riddoch, Chris; Ness, Andy; Emond, Alan

2011-01-01

The aim of the current study was to test the hypothesis that children with probable Developmental Coordination Disorder have an increased risk of reduced moderate to vigorous physical activity (MVPA), using data from a large population based study. Prospectively collected data from 4331 children (boys = 2065, girls = 2266) who had completed motor…

Linking clinician interaction and coordination to clinical performance in Patient-Aligned Care Teams.

PubMed

Hysong, Sylvia J; Thomas, Candice L; Spitzmüller, Christiane; Amspoker, Amber B; Woodard, LeChauncy; Modi, Varsha; Naik, Aanand D

2016-01-15

Team coordination within clinical care settings is a critical component of effective patient care. Less is known about the extent, effectiveness, and impact of coordination activities among professionals within VA Patient-Aligned Care Teams (PACTs). This study will address these gaps by describing the specific, fundamental tasks and practices involved in PACT coordination, their impact on performance measures, and the role of coordination task complexity. First, we will use a web-based survey of coordination practices among 1600 PACTs in the national VHA. Survey findings will characterize PACT coordination practices and assess their association with clinical performance measures. Functional job analysis, using 6-8 subject matter experts who are 3rd and 4th year residents in VA Primary Care rotations, will be utilized to identify the tasks involved in completing clinical performance measures to standard. From this, expert ratings of coordination complexity will be used to determine the level of coordinative complexity required for each of the clinical performance measures drawn from the VA External Peer Review Program (EPRP). For objective 3, data collected from the first two methods will evaluate the effect of clinical complexity on the relationships between measures of PACT coordination and their ratings on the clinical performance measures. Results from this study will support successful implementation of coordinated team-based work in clinical settings by providing knowledge regarding which aspects of care require the most complex levels of coordination and how specific coordination practices impact clinical performance.

Using Video Games to Teach Game Design: A Gaming Collection for Libraries

ERIC Educational Resources Information Center

Mastel, Kristen; Huston, Dave

2009-01-01

Game-design programs are relatively new in the world of academia, as the author of this article discovered when she worked as Brown College's librarian and learning resource center coordinator. With that newness comes the challenge of determining a "core" collection of materials to support the discipline. This kind of core collection is…

77 FR 36250 - Information Collection Request; Request for Aerial Photography

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-18

... the responsibility for conducting and coordinating the FSA's aerial photography, remote sensing... FSA Aerial Photography Field Office (APFO) uses the information from this form to collect the customer... respond, including through the use of appropriate automated, electronic, mechanical, or other...

75 FR 57792 - Notice of Public Information Collection(s) Being Reviewed by the Federal Communications...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-22

...: Sections 25.203(i) and 73.1030(a)(2), Radio Astronomy Coordination Zone in Puerto Rico. Form No.: N/A. Type... notification procedures enable the Arecibo Radio Astronomy Observatory to receive information needed to assess...

Collection Development Policy.

ERIC Educational Resources Information Center

Wright, Dianne H., Ed.

This detailed written guide of the Valdosta State College Library coordinates the library's collection development policies with specific teaching and research needs of the college. It identifies subject subdivisions supporting the work of the departments, guides daily book selection, and provides guidance in the duplication of materials, location…

Computing the sensitivity of drag and lift in flow past a circular cylinder: Time-stepping versus self-consistent analysis

NASA Astrophysics Data System (ADS)

Meliga, Philippe

2017-07-01

We provide in-depth scrutiny of two methods making use of adjoint-based gradients to compute the sensitivity of drag in the two-dimensional, periodic flow past a circular cylinder (Re≲189 ): first, the time-stepping analysis used in Meliga et al. [Phys. Fluids 26, 104101 (2014), 10.1063/1.4896941] that relies on classical Navier-Stokes modeling and determines the sensitivity to any generic control force from time-dependent adjoint equations marched backwards in time; and, second, a self-consistent approach building on the model of Mantič-Lugo et al. [Phys. Rev. Lett. 113, 084501 (2014), 10.1103/PhysRevLett.113.084501] to compute semilinear approximations of the sensitivity to the mean and fluctuating components of the force. Both approaches are applied to open-loop control by a small secondary cylinder and allow identifying the sensitive regions without knowledge of the controlled states. The theoretical predictions obtained by time-stepping analysis reproduce well the results obtained by direct numerical simulation of the two-cylinder system. So do the predictions obtained by self-consistent analysis, which corroborates the relevance of the approach as a guideline for efficient and systematic control design in the attempt to reduce drag, even though the Reynolds number is not close to the instability threshold and the oscillation amplitude is not small. This is because, unlike simpler approaches relying on linear stability analysis to predict the main features of the flow unsteadiness, the semilinear framework encompasses rigorously the effect of the control on the mean flow, as well as on the finite-amplitude fluctuation that feeds back nonlinearly onto the mean flow via the formation of Reynolds stresses. Such results are especially promising as the self-consistent approach determines the sensitivity from time-independent equations that can be solved iteratively, which makes it generally less computationally demanding. We ultimately discuss the extent to which relevant information can be gained from a hybrid modeling computing self-consistent sensitivities from the postprocessing of DNS data. Application to alternative control objectives such as increasing the lift and alleviating the fluctuating drag and lift is also discussed.

Direct detection of WIMPs: implications of a self-consistent truncated isothermal model of the Milky Way's dark matter halo

NASA Astrophysics Data System (ADS)

Chaudhury, Soumini; Bhattacharjee, Pijushpani; Cowsik, Ramanath

2010-09-01

Direct detection of Weakly Interacting Massive Particle (WIMP) candidates of Dark Matter (DM) is studied within the context of a self-consistent truncated isothermal model of the finite-size dark halo of the Galaxy. The halo model, based on the ``King model'' of the phase space distribution function of collisionless DM particles, takes into account the modifications of the phase-space structure of the halo due to the gravitational influence of the observed visible matter in a self-consistent manner. The parameters of the halo model are determined by a fit to a recently determined circular rotation curve of the Galaxy that extends up to ~ 60 kpc. Unlike in the Standard Halo Model (SHM) customarily used in the analysis of the results of WIMP direct detection experiments, the velocity distribution of the WIMPs in our model is non-Maxwellian with a cut-off at a maximum velocity that is self-consistently determined by the model itself. For our halo model that provides the best fit to the rotation curve data, the 90% C.L. upper limit on the WIMP-nucleon spin-independent cross section from the recent results of the CDMS-II experiment, for example, is ~ 5.3 × 10-8 pb at a WIMP mass of ~ 71 GeV. We also find, using the original 2-bin annual modulation amplitude data on the nuclear recoil event rate seen in the DAMA experiment, that there exists a range of small WIMP masses, typically ~ 2-16 GeV, within which DAMA collaboration's claimed annual modulation signal purportedly due to WIMPs is compatible with the null results of other experiments. These results, based as they are on a self-consistent model of the dark matter halo of the Galaxy, strengthen the possibility of low-mass (lsim10 GeV) WIMPs as a candidate for dark matter as indicated by several earlier studies performed within the context of the SHM. A more rigorous analysis using DAMA bins over smaller intervals should be able to better constrain the ``DAMA regions'' in the WIMP parameter space within the context of our model.

Design and Control of Large Collections of Learning Agents

NASA Technical Reports Server (NTRS)

Agogino, Adrian

2001-01-01

The intelligent control of multiple autonomous agents is an important yet difficult task. Previous methods used to address this problem have proved to be either too brittle, too hard to use, or not scalable to large systems. The 'Collective Intelligence' project at NASA/Ames provides an elegant, machine-learning approach to address these problems. This approach mathematically defines some essential properties that a reward system should have to promote coordinated behavior among reinforcement learners. This work has focused on creating additional key properties and algorithms within the mathematics of the Collective Intelligence framework. One of the additions will allow agents to learn more quickly, in a more coordinated manner. The other will let agents learn with less knowledge of their environment. These additions will allow the framework to be applied more easily, to a much larger domain of multi-agent problems.

Extension of the Kohn-Sham formulation of density functional theory to finite temperature

NASA Astrophysics Data System (ADS)

Gonis, A.; Däne, M.

2018-05-01

Based on Mermin's extension of the Hohenberg and Kohn theorems to non-zero temperature, the Kohn-Sham formulation of density functional theory (KS-DFT) is generalized to finite temperature. We show that present formulations are inconsistent with Mermin's functional containing expressions, in particular describing the Coulomb energy, that defy derivation and are even in violation of rules of logical inference. More; current methodology is in violation of fundamental laws of both quantum and classical mechanics. Based on this feature, we demonstrate the impossibility of extending the KS formalism to finite temperature through the self-consistent solutions of the single-particle Schrödinger equation of T > 0. Guided by the form of Mermin's functional that depends on the eigenstates of a Hamiltonian, determined at T = 0, we base our extension of KS-DFT on the determination of the excited states of a non-interacting system at the zero of temperature. The resulting formulation is consistent with that of Mermin constructing the free energy at T > 0 in terms of the excited states of a non-interacting Hamiltonian (system) that, within the KS formalism, are described by Slater determinants. To determine the excited states at T = 0 use is made of the extension of the Hohenberg and Kohn theorems to excited states presented in previous work applied here to a non-interacting collection of replicas of a non-interacting N-particle system, whose ground state density is taken to match that of K non-interacting replicas of an interacting N-particle system at T = 0 . The formalism allows for an ever denser population of the excitation spectrum of a Hamiltonian, within the KS approximation. The form of the auxiliary potential, (Kohn-Sham potential), is formally identical to that in the ground state formalism with the contribution of the Coulomb energy provided by the derivative of the Coulomb energy in all excited states taken into account. Once the excited states are determined, the minimum of the free energy within the KS formalism follows immediately in the form of Mermin's functional, but with the exact excited states in that functional represented by Slater determinants obtained through self-consistency conditions at the zero of temperature. It is emphasized that, in departure from all existing formulations, no self-consistency conditions are implemented at finite T; as we show, in fact, such formulations are rigorously blocked.

Embedding of Cortical Representations by the Superficial Patch System

PubMed Central

Da Costa, Nuno M. A.; Girardin, Cyrille C.; Naaman, Shmuel; Omer, David B.; Ruesch, Elisha; Grinvald, Amiram; Douglas, Rodney J.

2011-01-01

Pyramidal cells in layers 2 and 3 of the neocortex of many species collectively form a clustered system of lateral axonal projections (the superficial patch system—Lund JS, Angelucci A, Bressloff PC. 2003. Anatomical substrates for functional columns in macaque monkey primary visual cortex. Cereb Cortex. 13:15–24. or daisy architecture—Douglas RJ, Martin KAC. 2004. Neuronal circuits of the neocortex. Annu Rev Neurosci. 27:419–451.), but the function performed by this general feature of the cortical architecture remains obscure. By comparing the spatial configuration of labeled patches with the configuration of responses to drifting grating stimuli, we found the spatial organizations both of the patch system and of the cortical response to be highly conserved between cat and monkey primary visual cortex. More importantly, the configuration of the superficial patch system is directly reflected in the arrangement of function across monkey primary visual cortex. Our results indicate a close relationship between the structure of the superficial patch system and cortical responses encoding a single value across the surface of visual cortex (self-consistent states). This relationship is consistent with the spontaneous emergence of orientation response–like activity patterns during ongoing cortical activity (Kenet T, Bibitchkov D, Tsodyks M, Grinvald A, Arieli A. 2003. Spontaneously emerging cortical representations of visual attributes. Nature. 425:954–956.). We conclude that the superficial patch system is the physical encoding of self-consistent cortical states, and that a set of concurrently labeled patches participate in a network of mutually consistent representations of cortical input. PMID:21383233

A benchmark for reaction coordinates in the transition path ensemble

PubMed Central

2016-01-01

The molecular mechanism of a reaction is embedded in its transition path ensemble, the complete collection of reactive trajectories. Utilizing the information in the transition path ensemble alone, we developed a novel metric, which we termed the emergent potential energy, for distinguishing reaction coordinates from the bath modes. The emergent potential energy can be understood as the average energy cost for making a displacement of a coordinate in the transition path ensemble. Where displacing a bath mode invokes essentially no cost, it costs significantly to move the reaction coordinate. Based on some general assumptions of the behaviors of reaction and bath coordinates in the transition path ensemble, we proved theoretically with statistical mechanics that the emergent potential energy could serve as a benchmark of reaction coordinates and demonstrated its effectiveness by applying it to a prototypical system of biomolecular dynamics. Using the emergent potential energy as guidance, we developed a committor-free and intuition-independent method for identifying reaction coordinates in complex systems. We expect this method to be applicable to a wide range of reaction processes in complex biomolecular systems. PMID:27059559

GENESIS: new self-consistent models of exoplanetary spectra

NASA Astrophysics Data System (ADS)

Gandhi, Siddharth; Madhusudhan, Nikku

2017-12-01

We are entering the era of high-precision and high-resolution spectroscopy of exoplanets. Such observations herald the need for robust self-consistent spectral models of exoplanetary atmospheres to investigate intricate atmospheric processes and to make observable predictions. Spectral models of plane-parallel exoplanetary atmospheres exist, mostly adapted from other astrophysical applications, with different levels of sophistication and accuracy. There is a growing need for a new generation of models custom-built for exoplanets and incorporating state-of-the-art numerical methods and opacities. The present work is a step in this direction. Here we introduce GENESIS, a plane-parallel, self-consistent, line-by-line exoplanetary atmospheric modelling code that includes (a) formal solution of radiative transfer using the Feautrier method, (b) radiative-convective equilibrium with temperature correction based on the Rybicki linearization scheme, (c) latest absorption cross-sections, and (d) internal flux and external irradiation, under the assumptions of hydrostatic equilibrium, local thermodynamic equilibrium and thermochemical equilibrium. We demonstrate the code here with cloud-free models of giant exoplanetary atmospheres over a range of equilibrium temperatures, metallicities, C/O ratios and spanning non-irradiated and irradiated planets, with and without thermal inversions. We provide the community with theoretical emergent spectra and pressure-temperature profiles over this range, along with those for several known hot Jupiters. The code can generate self-consistent spectra at high resolution and has the potential to be integrated into general circulation and non-equilibrium chemistry models as it is optimized for efficiency and convergence. GENESIS paves the way for high-fidelity remote sensing of exoplanetary atmospheres at high resolution with current and upcoming observations.

Process-to-Panel Modeling and Multiprobe Characterization of Silicon Heterojunction Solar Cell Technology

NASA Astrophysics Data System (ADS)

Chavali, Raghu Vamsi Krishna

The large-scale deployment of PV technology is very sensitive to the material and process costs. There are several potential candidates among p-n heterojunction (HJ) solar cells competing for higher efficiencies at lower material and process costs. These systems are, however, generally complex, involve diverse materials, and are not well understood. The direct translation of classical p-n homojunction theory to p-n HJ cells may not always be self-consistent and can lead, therefore, to misinterpretation of experimental results. Ultimately, this translation may not be useful for modeling and characterization of these solar cells. Hence, there is a strong need to redefine/reinterpret the modeling/characterization methodologies for HJ solar cells to produce a self-consistent framework for optimizing HJ solar cell designs. Towards this goal, we explore the physics and interpret characterization experiments of p-n HJs using Silicon HJ (HIT) solar cells. We will: (1) identify the key HJ properties that affect the cell efficiency; (2) analyze the dependence of key HJ properties on the carrier transport under light and dark conditions; (3) provide a selfconsistent multi-probe approach to extract the HJ parameters using several characterization techniques including dark I-V, light I-V, C-V, impedance spectroscopy, and Suns-Voc; (4) propose design guidelines to address the HJ bottlenecks of HIT cells; and (5) develop a process-to-module modeling framework to establish the module performance limits. The guidelines resulting from this multi-scale and self-consistent framework can be used to improve performance of HIT cells as well as other HJ based solar cells.

Results of the NIST National Ball Plate Round Robin.

PubMed

Caskey, G W; Phillips, S D; Borchardt, B R

1997-01-01

This report examines the results of the ball plate round robin administered by NIST. The round robin was part of an effort to assess the current state of industry practices for measurements made using coordinate measuring machines. Measurements of a two-dimensional ball plate (240 mm by 240 mm) on 41 coordinate measuring machines were collected and analyzed. Typically, the deviations of the reported X and Y coordinates from the calibrated values were within ± 5 μm, with some coordinate deviations exceeding 20.0 μm. One of the most significant observations from these data was that over 75 % of the participants failed to correctly estimate their measurement error on one or more of the ball plate spheres.

Obstacles to the coordination of delivering integrated prenatal HIV, syphilis and hepatitis B testing services in Guangdong: using a needs assessment approach.

PubMed

Xia, Jianhong; Rutherford, Shannon; Ma, Yuanzhu; Wu, Li; Gao, Shuang; Chen, Tingting; Lu, Xiao; Zhang, Xiaozhuang; Chu, Cordia

2015-03-24

Integration of services for Prevention of Mother-To-Child Transmission of HIV (PMTCT) into routine maternal and child health care is promoted as a priority strategy by the WHO to facilitate the implementation of PMTCT. Integration of services emphasizes inter-sectoral coordination in the health systems to provide convenient services for clients. China has been integrating prenatal HIV, syphilis and hepatitis B testing services since 2009. However, as the individual health systems are complex, effective coordination among different health agencies is challenging. Few studies have examined the factors that affect the coordination of such complex systems. The aim of this study is to assess the effectiveness of and examine challenges for integrated service delivery. Findings will provide the basis for strategy development to enhance the effective delivery of integrated services. The research was conducted in Guangdong province in 2013 using a needs assessment approach that includes qualitative and quantitative methods. Quantitative data was collected through a survey and from routine monitoring for PMTCT and qualitative data was collected through stakeholder interviews. Routine monitoring data used to assess key indicators of coordination suggested numerous coordination problems. The rates of prenatal HIV (95%), syphilis (47%) and hepatitis B (47%) test were inconsistent. An average of only 20% of the HIV positive mothers was referred in the health systems. There were no regular meetings among different health agencies and the clients indicated complicated service processes. The major obstacles to the coordination of delivering these integrated services are lack of service resource integration; and lack of a mechanism for coordination of the health systems, with no uniform guidelines, clear roles or consistent evaluation. The key obstacles that have been identified in this study hinder the coordination of the delivery of integrated services. Our recommendations include: 1) Facilitate integration of the funding and information systems by fully combining the service resources of different health agencies into one unit; 2) Establish regular meetings to facilitate exchange of information and address problems; 3) Establish a client referral network between different health agencies with agreed guidelines, clear roles and consistent evaluation.

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.

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

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

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.

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.

Self-consistent Non-LTE Model of Infrared Molecular Emissions and Oxygen Dayglows in the Mesosphere and Lower Thermosphere

NASA Technical Reports Server (NTRS)

Feofilov, Artem G.; Yankovsky, Valentine A.; Pesnell, William D.; Kutepov, Alexander A.; Goldberg, Richard A.; Mauilova, Rada O.

2007-01-01

We present the new version of the ALI-ARMS (for Accelerated Lambda Iterations for Atmospheric Radiation and Molecular Spectra) model. The model allows simultaneous self-consistent calculating the non-LTE populations of the electronic-vibrational levels of the O3 and O2 photolysis products and vibrational level populations of CO2, N2,O2, O3, H2O, CO and other molecules with detailed accounting for the variety of the electronic-vibrational, vibrational-vibrational and vibrational-translational energy exchange processes. The model was used as the reference one for modeling the O2 dayglows and infrared molecular emissions for self-consistent diagnostics of the multi-channel space observations of MLT in the SABER experiment It also allows reevaluating the thermalization efficiency of the absorbed solar ultraviolet energy and infrared radiative cooling/heating of MLT by detailed accounting of the electronic-vibrational relaxation of excited photolysis products via the complex chain of collisional energy conversion processes down to the vibrational energy of optically active trace gas molecules.

Self-Consistent Sources Extensions of Modified Differential-Difference KP Equation

NASA Astrophysics Data System (ADS)

Gegenhasi; Li, Ya-Qian; Zhang, Duo-Duo

2018-04-01

In this paper, we investigate a modified differential-difference KP equation which is shown to have a continuum limit into the mKP equation. It is also shown that the solution of the modified differential-difference KP equation is related to the solution of the differential-difference KP equation through a Miura transformation. We first present the Grammian solution to the modified differential-difference KP equation, and then produce a coupled modified differential-difference KP system by applying the source generation procedure. The explicit N-soliton solution of the resulting coupled modified differential-difference system is expressed in compact forms by using the Grammian determinant and Casorati determinant. We also construct and solve another form of the self-consistent sources extension of the modified differential-difference KP equation, which constitutes a Bäcklund transformation for the differential-difference KP equation with self-consistent sources. Supported by the National Natural Science Foundation of China under Grant Nos. 11601247 and 11605096, the Natural Science Foundation of Inner Mongolia Autonomous Region under Grant Nos. 2016MS0115 and 2015MS0116 and the Innovation Fund Programme of Inner Mongolia University No. 20161115

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.

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

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

Self-consistent modeling of electron cyclotron resonance ion sources

NASA Astrophysics Data System (ADS)

Girard, A.; Hitz, D.; Melin, G.; Serebrennikov, K.; Lécot, C.

2004-05-01

In order to predict the performances of electron cyclotron resonance ion source (ECRIS), it is necessary to perfectly model the different parts of these sources: (i) magnetic configuration; (ii) plasma characteristics; (iii) extraction system. The magnetic configuration is easily calculated via commercial codes; different codes also simulate the ion extraction, either in two dimension, or even in three dimension (to take into account the shape of the plasma at the extraction influenced by the hexapole). However the characteristics of the plasma are not always mastered. This article describes the self-consistent modeling of ECRIS: we have developed a code which takes into account the most important construction parameters: the size of the plasma (length, diameter), the mirror ratio and axial magnetic profile, whether a biased probe is installed or not. These input parameters are used to feed a self-consistent code, which calculates the characteristics of the plasma: electron density and energy, charge state distribution, plasma potential. The code is briefly described, and some of its most interesting results are presented. Comparisons are made between the calculations and the results obtained experimentally.

Neoclassical Simulation of Tokamak Plasmas using Continuum Gyrokinetc Code TEMPEST

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

Xu, X Q

We present gyrokinetic neoclassical simulations of tokamak plasmas with self-consistent electric field for the first time using a fully nonlinear (full-f) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five dimensional computational grid in phase space. The present implementation is a Method of Lines approach where the phase-space derivatives are discretized with finite differences and implicit backwards differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving gyrokinetic Poisson equation with self-consistent poloidal variation. Withmore » our 4D ({psi}, {theta}, {epsilon}, {mu}) version of the TEMPEST code we compute radial particle and heat flux, the Geodesic-Acoustic Mode (GAM), and the development of neoclassical electric field, which we compare with neoclassical theory with a Lorentz collision model. The present work provides a numerical scheme and a new capability for self-consistently studying important aspects of neoclassical transport and rotations in toroidal magnetic fusion devices.« 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.

A self-consistency check for unitary propagation of Hawking quanta

NASA Astrophysics Data System (ADS)

Baker, Daniel; Kodwani, Darsh; Pen, Ue-Li; Yang, I.-Sheng

2017-11-01

The black hole information paradox presumes that quantum field theory in curved space-time can provide unitary propagation from a near-horizon mode to an asymptotic Hawking quantum. Instead of invoking conjectural quantum-gravity effects to modify such an assumption, we propose a self-consistency check. We establish an analogy to Feynman’s analysis of a double-slit experiment. Feynman showed that unitary propagation of the interfering particles, namely ignoring the entanglement with the double-slit, becomes an arbitrarily reliable assumption when the screen upon which the interference pattern is projected is infinitely far away. We argue for an analogous self-consistency check for quantum field theory in curved space-time. We apply it to the propagation of Hawking quanta and test whether ignoring the entanglement with the geometry also becomes arbitrarily reliable in the limit of a large black hole. We present curious results to suggest a negative answer, and we discuss how this loss of naive unitarity in QFT might be related to a solution of the paradox based on the soft-hair-memory effect.

78 FR 31568 - Proposed Collection; 60-day Comment Request: Autism Spectrum Disorder Research Portfolio Analysis

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-24

... Comment Request: Autism Spectrum Disorder Research Portfolio Analysis SUMMARY: In compliance with the... the proposed project, contact: The Office of Autism Research Coordination, NIMH, NIH, Neuroscience.... Proposed Collection: Autism Spectrum Disorder (ASD) Research Portfolio Analysis, 0925--NEW--National...

75 FR 27344 - Agency Information Collection Request. 30-Day Public Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-14

... techniques or other forms of information technology to minimize the information collection burden. To obtain...-NEW--Office of the National Coordinator for Health Information Technology. Abstract: Recognizing the potential of health information technology (IT), Congress incorporated the Health Information Technology for...

75 FR 57277 - Agency Information Collection Activities: Proposed Collection: Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-20

... patients served, pharmaceuticals prescribed, pricing, and other sources of support to provide AIDS... formulary, eligibility criteria for enrollment, and cost-saving strategies including coordinating with Medicaid). The quarterly report represents the best method for HRSA to determine how ADAP grants are being...

75 FR 37409 - Information Collection; Submission for OMB Review, Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-06-29

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77 FR 70475 - Comment Request for Information Collection for Contractor Information Gathering, Extension...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-26

... Collection for Contractor Information Gathering, Extension Without Revisions AGENCY: Employment and Training... contractor information gathering and reporting requirements (expiration date November 30, 2012). DATES... Job Corps program is such that many activities required of contractors must be coordinated with other...

Substrate stiffness regulates cadherin-dependent collective migration through myosin-II contractility

PubMed Central

Ng, Mei Rosa; Besser, Achim

2012-01-01

The mechanical microenvironment is known to influence single-cell migration; however, the extent to which mechanical cues affect collective migration of adherent cells is not well understood. We measured the effects of varying substrate compliance on individual cell migratory properties in an epithelial wound-healing assay. Increasing substrate stiffness increased collective cell migration speed, persistence, and directionality as well as the coordination of cell movements. Dynamic analysis revealed that wounding initiated a wave of motion coordination from the wound edge into the sheet. This was accompanied by a front-to-back gradient of myosin-II activation and establishment of cell polarity. The propagation was faster and farther reaching on stiff substrates, indicating that substrate stiffness affects the transmission of directional cues. Manipulation of myosin-II activity and cadherin–catenin complexes revealed that this transmission is mediated by coupling of contractile forces between neighboring cells. Thus, our findings suggest that the mechanical environment integrates in a feedback with cell contractility and cell–cell adhesion to regulate collective migration. PMID:23091067

Large-deformation modal coordinates for nonrigid vehicle dynamics

NASA Technical Reports Server (NTRS)

Likins, P. W.; Fleischer, G. E.

1972-01-01

The derivation of minimum-dimension sets of discrete-coordinate and hybrid-coordinate equations of motion of a system consisting of an arbitrary number of hinge-connected rigid bodies assembled in tree topology is presented. These equations are useful for the simulation of dynamical systems that can be idealized as tree-like arrangements of substructures, with each substructure consisting of either a rigid body or a collection of elastically interconnected rigid bodies restricted to small relative rotations at each connection. Thus, some of the substructures represent elastic bodies subjected to small strains or local deformations, but possibly large gross deformations, in the hybrid formulation, distributed coordinates referred to herein as large-deformation modal coordinates, are used for the deformations of these substructures. The equations are in a form suitable for incorporation into one or more computer programs to be used as multipurpose tools in the simulation of spacecraft and other complex electromechanical systems.

Analytical Dynamics and Nonrigid Spacecraft Simulation

NASA Technical Reports Server (NTRS)

Likins, P. W.

1974-01-01

Application to the simulation of idealized spacecraft are considered both for multiple-rigid-body models and for models consisting of combination of rigid bodies and elastic bodies, with the elastic bodies being defined either as continua, as finite-element systems, or as a collection of given modal data. Several specific examples are developed in detail by alternative methods of analytical mechanics, and results are compared to a Newton-Euler formulation. The following methods are developed from d'Alembert's principle in vector form: (1) Lagrange's form of d'Alembert's principle for independent generalized coordinates; (2) Lagrange's form of d'Alembert's principle for simply constrained systems; (3) Kane's quasi-coordinate formulation of D'Alembert's principle; (4) Lagrange's equations for independent generalized coordinates; (5) Lagrange's equations for simply constrained systems; (6) Lagrangian quasi-coordinate equations (or the Boltzmann-Hamel equations); (7) Hamilton's equations for simply constrained systems; and (8) Hamilton's equations for independent generalized coordinates.

Effectiveness of Telerehabilitation for OIF/OEF Returnees with Combat Related Trama

DTIC Science & Technology

2012-02-01

for all veterans with polytrauma, including accurate and efficient screening instruments, educational material for patients and families, family...be Lisa Johnson- Greene . Teresita Manahan, ARNP will lead the care coordination efforts at The Miami VA. Data collection and Care Coordination...instruments at six month intervals including baseline. They are the Functional Independence Measure and Functional Assessment Measure ( FIM /FAM); CHART, The

An Exploratory Study of Special Educational Needs Co-Ordinators' Knowledge and Experience of Working with Children Who Have Sustained a Brain Injury

ERIC Educational Resources Information Center

Howe, Julia; Ball, Heather

2017-01-01

This research aimed to measure Special Educational Needs Co-ordinators' knowledge of the educational implications of acquired brain injury in children and young people and whether experience of working with pupils with a brain injury or additional training impacts upon this knowledge. Data was collected within one local authority in England using…

Measuring primary care organizational capacity for diabetes care coordination: the Diabetes Care Coordination Readiness Assessment.

PubMed

Weeks, Douglas L; Polello, Jennifer M; Hansen, Daniel T; Keeney, Benjamin J; Conrad, Douglas A

2014-01-01

Not all primary care clinics are prepared to implement care coordination services for chronic conditions, such as diabetes. Understanding true capacity to coordinate care is an important first-step toward establishing effective and efficient care coordination. Yet, we could identify no diabetes-specific instruments to systematically assess readiness and/or status of primary care clinics to engage in diabetes care coordination. This report describes the development and initial validation of the Diabetes Care Coordination Readiness Assessment (DCCRA), which is intended to measure primary care clinic readiness to coordinate care for adult patients with diabetes. The instrument was developed through iterative item generation within a framework of five domains of care coordination: Organizational Capacity, Care Coordination, Clinical Management, Quality Improvement, and Technical Infrastructure. Validation data was collected on 39 primary care clinics. Content validity, inter-rater reliability, internal consistency, and construct validity of the 49-item instrument were assessed. Inter-rater agreement indices per item ranged from 0.50 to 1.0. Cronbach's alpha of the entire instrument was 0.964, and for the five domain scales ranged from 0.688 to 0.961. Clinics with existing care coordinators were rated as more ready to support care coordination than clinics without care coordinators for the entire DCCRA and for each domain, supporting construct validity. As providers increasingly attempt to adopt patient-centered approaches, introduction of the DCCRA is timely and appropriate for assisting clinics with identifying gaps in provision of care coordination services. The DCCRA's strengths include promising psychometric properties. A valid measure of diabetes care coordination readiness should be useful in diabetes program evaluation, assistance with quality improvement initiatives, and measurement of patient-centered care in research.

Coordinating Multi-Rover Systems: Evaluation Functions for Dynamic and Noisy Environments

NASA Technical Reports Server (NTRS)

Turner, Kagan; Agogino, Adrian

2005-01-01

This paper addresses the evolution of control strategies for a collective: a set of entities that collectively strives to maximize a global evaluation function that rates the performance of the full system. Directly addressing such problems by having a population of collectives and applying the evolutionary algorithm to that population is appealing, but the search space is prohibitively large in most cases. Instead, we focus on evolving control policies for each member of the collective. The fundamental issue in this approach is how to create an evaluation function for each member of the collective that is both aligned with the global evaluation function and is sensitive to the fitness changes of the member, while relatively insensitive to the fitness changes of other members. We show how to construct evaluation functions in dynamic, noisy and communication-limited collective environments. On a rover coordination problem, a control policy evolved using aligned and member-sensitive evaluations outperfoms global evaluation methods by up to 400%. More notably, in the presence of a larger number of rovers or rovers with noisy and communication limited sensors, the proposed method outperforms global evaluation by a higher percentage than in noise-free conditions with a small number of rovers.

Social Motor Coordination in Unaffected Relatives of Schizophrenia Patients: A Potential Intermediate Phenotype

PubMed Central

Del-Monte, Jonathan; Capdevielle, Delphine; Varlet, Manuel; Marin, Ludovic; Schmidt, Richard C.; Salesse, Robin N.; Bardy, Benoît G.; Boulenger, Jean Philippe; Gély-Nargeot, Marie Christine; Attal, Jérôme; Raffard, Stéphane

2013-01-01

Intermediate endophenotypes emerge as an important concept in the study of schizophrenia. Although research on phenotypes mainly investigated cognitive, metabolic or neurophysiological markers so far, some authors also examined the motor behavior anomalies as a potential trait-marker of the disease. However, no research has investigated social motor coordination despite the possible importance of its anomalies in schizophrenia. The aim of this study was thus to determine whether coordination modifications previously demonstrated in schizophrenia are trait-markers that might be associated with the risk for this pathology. Interpersonal motor coordination in 27 unaffected first-degree relatives of schizophrenia patients and 27 healthy controls was assessed using a hand-held pendulum task to examine the presence of interpersonal coordination impairments in individuals at risk for the disorder. Measures of neurologic soft signs, clinical variables and neurocognitive functions were collected to assess the cognitive and clinical correlates of social coordination impairments in at-risk relatives. After controlling for potential confounding variables, unaffected relatives of schizophrenia patients had impaired intentional interpersonal coordination compared to healthy controls while unintentional interpersonal coordination was preserved. More specifically, in intentional coordination, the unaffected relatives of schizophrenia patients exhibited coordination patterns that had greater variability and in which relatives did not lead the coordination. These results show that unaffected relatives of schizophrenia patients, like the patients themselves, also present deficits in intentional interpersonal coordination. For the first time, these results suggest that intentional interpersonal coordination impairments might be a potential motor intermediate endophenotype of schizophrenia opening new perspectives for early diagnosis. PMID:24106467

Self-consistent assessment of Englert-Schwinger model on atomic properties

NASA Astrophysics Data System (ADS)

Lehtomäki, Jouko; Lopez-Acevedo, Olga

2017-12-01

Our manuscript investigates a self-consistent solution of the statistical atom model proposed by Berthold-Georg Englert and Julian Schwinger (the ES model) and benchmarks it against atomic Kohn-Sham and two orbital-free models of the Thomas-Fermi-Dirac (TFD)-λvW family. Results show that the ES model generally offers the same accuracy as the well-known TFD-1/5 vW model; however, the ES model corrects the failure in the Pauli potential near-nucleus region. We also point to the inability of describing low-Z atoms as the foremost concern in improving the present model.

SCF and CI calculations of the dipole moment function of ozone. [Self-Consistent Field and Configuration-Interaction

NASA Technical Reports Server (NTRS)

Curtiss, L. A.; Langhoff, S. R.; Carney, G. D.

1979-01-01

The constant and linear terms in a Taylor series expansion of the dipole moment function of the ground state of ozone are calculated with Cartesian Gaussian basis sets ranging in quality from minimal to double zeta plus polarization. Results are presented at both the self-consistent field and configuration-interaction levels. Although the algebraic signs of the linear dipole moment derivatives are all established to be positive, the absolute magnitudes of these quantities, as well as the infrared intensities calculated from them, vary considerably with the level of theory.

Self-consistent assessment of Englert-Schwinger model on atomic properties.

PubMed

Lehtomäki, Jouko; Lopez-Acevedo, Olga

2017-12-21

Our manuscript investigates a self-consistent solution of the statistical atom model proposed by Berthold-Georg Englert and Julian Schwinger (the ES model) and benchmarks it against atomic Kohn-Sham and two orbital-free models of the Thomas-Fermi-Dirac (TFD)-λvW family. Results show that the ES model generally offers the same accuracy as the well-known TFD-15vW model; however, the ES model corrects the failure in the Pauli potential near-nucleus region. We also point to the inability of describing low-Z atoms as the foremost concern in improving the present model.

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.

The self-consistent dynamic pole tide in global oceans

NASA Technical Reports Server (NTRS)

Dickman, S. R.

1985-01-01

The dynamic pole tide is characterized in a self-consistent manner by means of introducing a single nondifferential matrix equation compatible with the Liouville equation, modelling the ocean as global and of uniform depth. The deviations of the theory from the realistic ocean, associated with the nonglobality of the latter, are also given consideration, with an inference that in realistic oceans long-period modes of resonances would be increasingly likely to exist. The analysis of the nature of the pole tide and its effects on the Chandler wobble indicate that departures of the pole tide from the equilibrium may indeed be minimal.

Application of a self-consistent NEGF procedure to study the coherent transport with phase breaking scattering in low dimensional systems

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

Pratap, Surender, E-mail: surender.pratap@pilani.bits-pilani.ac.in; Sarkar, Niladri, E-mail: niladri@pilani.bits-pilani.ac.in

2016-04-13

We have studied Quantum Transport with dephasing in Low Dimensional systems. Here, we apply a self-consistent NEGF procedure to study the transport mechanism in low-dimensional systems with phase breaking scatterers. Under this we have determined the transmission coefficient of a very small Multi-Moded Nanowire which is under a small bias potential of few meV. We have calculated the transmission of this device first with no scatterers. Then we have introduced scatterers in the device and calculated the transmission for the device.

Theoretical studies of electronically excited states

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

Besley, Nicholas A.

2014-10-06

Time-dependent density functional theory is the most widely used quantum chemical method for studying molecules in electronically excited states. However, excited states can also be computed within Kohn-Sham density functional theory by exploiting methods that converge the self-consistent field equations to give excited state solutions. The usefulness of single reference self-consistent field based approaches for studying excited states is demonstrated by considering the calculation of several types of spectroscopy including the infrared spectroscopy of molecules in an electronically excited state, the rovibrational spectrum of the NO-Ar complex, core electron binding energies and the emission spectroscopy of BODIPY in water.

Tunable terahertz optical properties of graphene in dc electric fields

NASA Astrophysics Data System (ADS)

Dong, H. M.; Huang, F.; Xu, W.

2018-03-01

We develop a simple theoretical approach to investigate terahertz (THz) optical properties of monolayer graphene in the presence of an external dc electric field. The analytical results for optical coefficients such as the absorptance and reflectivity are obtained self-consistently on the basis of a diagrammatic self-consistent field theory and a Boltzmann equilibrium equation. It is found that the optical refractive index, reflectivity and conductivity can be effectively tuned by not only a gate voltage but also a driving dc electric field. This study is relevant to the applications of graphene as advanced THz optoelectronic devices.

Efficient self-consistency for magnetic tight binding

NASA Astrophysics Data System (ADS)

Soin, Preetma; Horsfield, A. P.; Nguyen-Manh, D.

2011-06-01

Tight binding can be extended to magnetic systems by including an exchange interaction on an atomic site that favours net spin polarisation. We have used a published model, extended to include long-ranged Coulomb interactions, to study defects in iron. We have found that achieving self-consistency using conventional techniques was either unstable or very slow. By formulating the problem of achieving charge and spin self-consistency as a search for stationary points of a Harris-Foulkes functional, extended to include spin, we have derived a much more efficient scheme based on a Newton-Raphson procedure. We demonstrate the capabilities of our method by looking at vacancies and self-interstitials in iron. Self-consistency can indeed be achieved in a more efficient and stable manner, but care needs to be taken to manage this. The algorithm is implemented in the code PLATO. Program summaryProgram title:PLATO Catalogue identifier: AEFC_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFC_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 228 747 No. of bytes in distributed program, including test data, etc.: 1 880 369 Distribution format: tar.gz Programming language: C and PERL Computer: Apple Macintosh, PC, Unix machines Operating system: Unix, Linux, Mac OS X, Windows XP Has the code been vectorised or parallelised?: Yes. Up to 256 processors tested RAM: Up to 2 Gbytes per processor Classification: 7.3 External routines: LAPACK, BLAS and optionally ScaLAPACK, BLACS, PBLAS, FFTW Catalogue identifier of previous version: AEFC_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 2616 Does the new version supersede the previous version?: Yes Nature of problem: Achieving charge and spin self-consistency in magnetic tight binding can be very difficult. Our existing schemes failed altogether, or were very slow. Solution method: A new scheme for achieving self-consistency in orthogonal tight binding has been introduced that explicitly evaluates the first and second derivatives of the energy with respect to input charge and spin, and then uses these to search for stationary values of the energy. Reasons for new version: Bug fixes and new functionality. Summary of revisions: New charge and spin mixing scheme for orthogonal tight binding. Numerous small bug fixes. Restrictions: The new mixing scheme scales poorly with system size. In particular the memory usage scales as number of atoms to the power 4. It is restricted to systems with about 200 atoms or less. Running time: Test cases will run in a few minutes, large calculations may run for several days.

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

Hao, He; Sun, Yannan; Carroll, Thomas E.

We propose a coordination algorithm for cooperative power allocation among a collection of commercial buildings within a campus. We introduced thermal and power models of a typical commercial building Heating, Ventilation, and Air Conditioning (HVAC) system, and utilize model predictive control to characterize their power flexibility. The power allocation problem is formulated as a cooperative game using the Nash Bargaining Solution (NBS) concept, in which buildings collectively maximize the product of their utilities subject to their local flexibility constraints and a total power limit set by the campus coordinator. To solve the optimal allocation problem, a distributed protocol is designedmore » using dual decomposition of the Nash bargaining problem. Numerical simulations are performed to demonstrate the efficacy of our proposed allocation method« less

76 FR 14399 - Agency Information Collection Request; 60-Day Public Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-16

.... Proposed Project: Evaluation of Adolescent Pregnancy Prevention Approaches and the Impact Evaluation of the Teen Pregnancy Prevention Program Grantees: Baseline Data Collection--OMB No. OS-0990--NEW-- Office of... overseeing and coordinating adolescent pregnancy prevention evaluation efforts as part of the Teen Pregnancy...

75 FR 76750 - BOEMRE Information Collection Activity: 1010-0183, Information Requirements for Exploration Plans...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-09

... DEPARTMENT OF THE INTERIOR Bureau of Ocean Energy Management, Regulation and Enforcement [Docket... for Exploration Plans, Development and Production Plans, and Development Operations Coordination Documents on the OCS NTL, Renewal of a Collection; Submitted for Office of Management and Budget (OMB...

77 FR 2963 - Commission Information Collection Activities (FERC-725F); Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2012-01-20

... submitting the information collection FERC-725F, ``Mandatory Reliability Standards for Nuclear Plant...: Title: FERC-725F Mandatory Reliability Standards for Nuclear Plant Interface Coordination OMB Control No... added a new section 215 to the FPA, which required a Commission-certified Electric Reliability...

Telehealth coordinators in hospital based telehealth services: Who are they and what do they do?

PubMed

Edirippulige, Sisira; Armfield, Nigel R; Greenup, Phil; Bryett, Andrew

2016-12-01

Many studies have identified the importance of 'telehealth coordinators' for successful telehealth implementation and operation. However, little is known about the telehealth coordinators' functions, the skills and competencies required and the reasons for their influence. This study aimed to examine the key functions of telehealth coordinators in the Queensland public health system, their perceptions about their role, and the level of competencies to support this role. All telehealth coordinators within Queensland Health Telehealth Services were invited to complete a questionnaire. We collected: (i) demographic information; (ii) details of their telehealth work; and (iii) information about knowledge and skills relevant to their telehealth coordinator role. Eighteen of 20 (90%) participants completed and submitted the survey. Telehealth coordinators were responsible for a range of tasks relating to telehealth consultations, technical assistance, administration, research, promotion and marketing. Nearly all telehealth coordinators (n = 17, 94%) were confident in carrying out the tasks of their job. The majority of telehealth coordinators (n = 13, 72%) thought education and training relating to telehealth would help improve their job. The top three topics that telehealth coordinators were keen to learn about were: (i) examples of clinical use of telehealth; (ii) types of technologies used; and (iii) telehealth clinical and business models. Our participants were all hospital-based; as the use of telehealth is growing outside of the traditional hospital settings, the role of telehealth coordinators is likely to change. © The Author(s) 2016.

Wireless data collection of self-administered surveys using tablet computers.

PubMed

Singleton, Kyle W; Lan, Mars; Arnold, Corey; Vahidi, Mani; Arangua, Lisa; Gelberg, Lillian; Bui, Alex A T

2011-01-01

The accurate and expeditious collection of survey data by coordinators in the field is critical in the support of research studies. Early methods that used paper documentation have slowly evolved into electronic capture systems. Indeed, tools such as REDCap and others illustrate this transition. However, many current systems are tailored web-browsers running on desktop/laptop computers, requiring keyboard and mouse input. We present a system that utilizes a touch screen interface running on a tablet PC with consideration for portability, limited screen space, wireless connectivity, and potentially inexperienced and low literacy users. The system was developed using C#, ASP.net, and SQL Server by multiple programmers over the course of a year. The system was developed in coordination with UCLA Family Medicine and is currently deployed for the collection of data in a group of Los Angeles area clinics of community health centers for a study on drug addiction and intervention.

Contributions of the SDR Task Network tool to Calibration and Validation of the NPOESS Preparatory Project instruments

NASA Astrophysics Data System (ADS)

Feeley, J.; Zajic, J.; Metcalf, A.; Baucom, T.

2009-12-01

The National Polar-orbiting Operational Environmental Satellite System (NPOESS) Preparatory Project (NPP) Calibration and Validation (Cal/Val) team is planning post-launch activities to calibrate the NPP sensors and validate Sensor Data Records (SDRs). The IPO has developed a web-based data collection and visualization tool in order to effectively collect, coordinate, and manage the calibration and validation tasks for the OMPS, ATMS, CrIS, and VIIRS instruments. This tool is accessible to the multi-institutional Cal/Val teams consisting of the Prime Contractor and Government Cal/Val leads along with the NASA NPP Mission team, and is used for mission planning and identification/resolution of conflicts between sensor activities. Visualization techniques aid in displaying task dependencies, including prerequisites and exit criteria, allowing for the identification of a critical path. This presentation will highlight how the information is collected, displayed, and used to coordinate the diverse instrument calibration/validation teams.

Clinical integration of billing for a pediatric nephrology and transplant program.

PubMed

Tietjen, Andrea L; Orsini, Jenoveva; Mulgaonkar, Shamkant; Morgan, Debbie

2003-09-01

To develop and implement a billing process that fully integrates all activities of a pediatric nephrology and transplant program, by facilitating and coordinating data from patients, physicians, hospitals, and third-party billing services to maximize revenues. Financial operations were analyzed via a randomized audit of patient charts that focused on office procedures and revenue collection. Results based on monthly reports documenting revenue received and outstanding, procedures billed, and patient registration accuracy. The combination of improvements in patient registration, chart documentation, new billing sheets with procedure and diagnosis codes, physician in-service education, upgraded charges, and the recredentialing of all practice physicians realized an increase in revenue collections from 18% in 2000 to 89% in 2001. The need to integrate and coordinate information is vital for both billing accuracy and revenue collections. Integration of clinical services and billing procedures has maximized performance, profitability, and accuracy while decreasing administrative time and costs.

Wireless Data Collection of Self-administered Surveys using Tablet Computers

PubMed Central

Singleton, Kyle W.; Lan, Mars; Arnold, Corey; Vahidi, Mani; Arangua, Lisa; Gelberg, Lillian; Bui, Alex A.T.

2011-01-01

The accurate and expeditious collection of survey data by coordinators in the field is critical in the support of research studies. Early methods that used paper documentation have slowly evolved into electronic capture systems. Indeed, tools such as REDCap and others illustrate this transition. However, many current systems are tailored web-browsers running on desktop/laptop computers, requiring keyboard and mouse input. We present a system that utilizes a touch screen interface running on a tablet PC with consideration for portability, limited screen space, wireless connectivity, and potentially inexperienced and low literacy users. The system was developed using C#, ASP.net, and SQL Server by multiple programmers over the course of a year. The system was developed in coordination with UCLA Family Medicine and is currently deployed for the collection of data in a group of Los Angeles area clinics of community health centers for a study on drug addiction and intervention. PMID:22195187

Challenges to effective crisis management: using information and communication technologies to coordinate emergency medical services and emergency department teams.

PubMed

Reddy, Madhu C; Paul, Sharoda A; Abraham, Joanna; McNeese, Michael; DeFlitch, Christopher; Yen, John

2009-04-01

The purpose of this study is to identify the major challenges to coordination between emergency department (ED) teams and emergency medical services (EMS) teams. We conducted a series of focus groups involving both ED and EMS team members using a crisis scenario as the basis of the focus group discussion. We also collected organizational workflow data. We identified three major challenges to coordination between ED and EMS teams including ineffectiveness of current information and communication technologies, lack of common ground, and breakdowns in information flow. The three challenges highlight the importance of designing systems from socio-technical perspective. In particular, these inter-team coordination systems must support socio-technical issues such as awareness, context, and workflow between the two teams.

Coordinating Learning Agents for Active Information Collection

DTIC Science & Technology

2011-06-30

the experiments were not particularly sensitive to this parameter. By limiting the number of actions that are updated (DANT-L in black/ dark ), the...Bazzan, A. and Ossowski, S. (eds.), Applications of Agent Technology in Traffic and Transportation (Springer, 2005). [19] Mataric , M. J., Coordination...organizing market (1998), preprint cond- mat/9802177. [19] Jones, C. and Mataric , M. J., Adaptive division of labor in large-scale multi-robot systems, in IEEE

Coordinating Council. Fourth Meeting: NACA Documents Database Project

NASA Technical Reports Server (NTRS)

1991-01-01

This NASA Scientific and Technical Information Coordination Council meeting dealt with the topic 'NACA Documents Database Project'. The following presentations were made and reported on: NACA documents database project study plan, AIAA study, the Optimal NACA database, Deficiencies in online file, NACA documents: Availability and Preservation, the NARA Collection: What is in it? and What to do about it?, and NACA foreign documents and availability. Visuals are available for most presentations.

75 FR 52711 - Notice of Request for Approval of an Information Collection; National Animal Health Monitoring...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-27

...] Notice of Request for Approval of an Information Collection; National Animal Health Monitoring System... to support the National Animal Health Monitoring System Sheep 2011 Study. DATES: We will consider all... Coordinator, at (301) 851-2908. SUPPLEMENTARY INFORMATION: Title: National Animal Health Monitoring System...

78 FR 54617 - Notice of Request for Extension of Approval of an Information Collection; Credit Account Approval...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-05

...] Notice of Request for Extension of Approval of an Information Collection; Credit Account Approval for... (202) 799-7039 before coming. FOR FURTHER INFORMATION CONTACT: For information on credit account... Coordinator, at (301) 851-2908. SUPPLEMENTARY INFORMATION: Title: Credit Account Approval for Reimbursable...

Curricula and Syllabi in Hydrology.

ERIC Educational Resources Information Center

United Nations Educational, Scientific, and Cultural Organization, Paris (France).

This collection of papers is intended to provide a means for the exchange of information on hydrological techniques and for the coordination of research and data collection. The objectives and trends in hydrological education are presented. The International Hydrological Decade (IHD) Working Group on Education recommends a series of topics that…

76 FR 33768 - Agency Information Collection Activities; Proposed Collection: Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2011-06-09

... the application may be obtained through the appropriate State Primary Care Offices, State Primary Care..., and by supporting their efforts to build better systems of care. The NHSC Site Application, which.... Dated: June 6, 2011. Reva Harris, Acting Director, Division of Policy and Information Coordination. [FR...

Using Collective Argumentation to Engage Students in a Primary Mathematics Classroom

ERIC Educational Resources Information Center

Brown, Raymond

2017-01-01

This article focuses on using sociocultural theory to support student engagement with mathematics. The sociocultural approach used, collective argumentation (CA), is based on interactive principles necessary for coordinating student engagement in the discourse of the classroom. A goal of the research was to explore the affordances and constraints…

75 FR 39695 - 60-Day Notice; Agency Information Collection Request; 60-Day Public Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-07-12

.... Proposed Project: Evaluation of Pregnancy Prevention Approaches: First Follow-Up Data Collection--OMB No... overseeing and coordinating adolescent pregnancy prevention evaluation efforts as part of the Teen Pregnancy... for Children and Families (ACF) on adolescent pregnancy prevention activities. OAH has provided...

75 FR 52345 - Agency Information Collection Request. 60-Day Public Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-25

... masters degree programs, for both health care and information technology students.'' The evaluation of the... Coordinator for Health Information Technology (ONC), HHS In compliance with the requirement of section 3506(c... of information technology to minimize the information collection burden. To obtain copies of the...

75 FR 13288 - Agency Information Collection Request; 30-Day Public Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2010-03-19

... techniques or other forms of information technology to minimize the information collection burden. To obtain... notice directly to the OS OMB Desk Officer; faxed to OMB at 202-395-5806. Proposed Project: Attitudes...-NEW- Office of the National Coordinator for Health Information Technology. Abstract: Electronic health...

78 FR 17674 - Agency Information Collection Activities; Proposed Collection; Public Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-22

... Office of Women's Health (OWH) and the Department of Health and Human Services (HHS) Coordinating... innovative ways of reducing obesity in lesbian and bisexual women. The planned intervention developed in St... what is currently known about local LB women's community norms, common barriers to health, patterns of...

78 FR 23898 - Notice of Request for a New Information Collection (Accredited Laboratory Contact Update Form)

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-23

... Request for a New Information Collection (Accredited Laboratory Contact Update Form) AGENCY: Food Safety... compilation of updated contact information for Accredited Laboratories. DATES: Comments on this notice must be... FURTHER INFORMATION CONTACT: Contact John O'Connell, Paperwork Reduction Act Coordinator, Food Safety and...

78 FR 78361 - Proposed Data Collections Submitted for Public Comment and Recommendations

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-26

... 14-14FA] Proposed Data Collections Submitted for Public Comment and Recommendations In compliance... component. The NTSIP is the only federal public health-based surveillance system to coordinate the... necessary to establish this surveillance system to describe the public health impacts on the population of...

24 CFR 1000.236 - What are eligible administrative and planning expenses?

Code of Federal Regulations, 2010 CFR

2010-04-01

... administrative management; (2) Coordination monitoring and evaluation; (3) Preparation of the IHP including data collection and transition costs; (4) Preparation of the annual performance report; and (5) Challenge to and collection of data for purposes of challenging the formula. (b) Staff and overhead costs directly related to...

24 CFR 1000.236 - What are eligible administrative and planning expenses?

Code of Federal Regulations, 2011 CFR

2011-04-01

... administrative management; (2) Coordination monitoring and evaluation; (3) Preparation of the IHP including data collection and transition costs; (4) Preparation of the annual performance report; and (5) Challenge to and collection of data for purposes of challenging the formula. (b) Staff and overhead costs directly related to...

10 CFR 207.4 - Confidentiality of energy information.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 3 2012-01-01 2012-01-01 false Confidentiality of energy information. 207.4 Section 207.4 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.4 Confidentiality of energy information. (a...

10 CFR 207.4 - Confidentiality of energy information.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 3 2011-01-01 2011-01-01 false Confidentiality of energy information. 207.4 Section 207.4 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.4 Confidentiality of energy information. (a...

10 CFR 207.4 - Confidentiality of energy information.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 3 2014-01-01 2014-01-01 false Confidentiality of energy information. 207.4 Section 207.4 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.4 Confidentiality of energy information. (a...

10 CFR 207.4 - Confidentiality of energy information.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 3 2010-01-01 2010-01-01 false Confidentiality of energy information. 207.4 Section 207.4 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.4 Confidentiality of energy information. (a...

10 CFR 207.4 - Confidentiality of energy information.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 3 2013-01-01 2013-01-01 false Confidentiality of energy information. 207.4 Section 207.4 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.4 Confidentiality of energy information. (a...

IFLA General Conference, 1986. LIBER. Papers.

ERIC Educational Resources Information Center

International Federation of Library Associations and Institutions, The Hague (Netherlands).

Three papers on special book collections were presented at the 1986 IFLA general conference. They include: (1) "Far Eastern Collections in the United Kingdom" (B. C. Bloomfield, United Kingdom), which discusses the background of Eastern Studies in the United Kingdom (UK) and the coordination of library provision for Far Eastern…

Modular control of endothelial sheet migration

PubMed Central

Vitorino, Philip; Meyer, Tobias

2008-01-01

Growth factor-induced migration of endothelial cell monolayers enables embryonic development, wound healing, and angiogenesis. Although collective migration is widespread and therapeutically relevant, the underlying mechanism by which cell monolayers respond to growth factor, sense directional signals, induce motility, and coordinate individual cell movements is only partially understood. Here we used RNAi to identify 100 regulatory proteins that enhance or suppress endothelial sheet migration into cell-free space. We measured multiple live-cell migration parameters for all siRNA perturbations and found that each targeted protein primarily regulates one of four functional outputs: cell motility, directed migration, cell–cell coordination, or cell density. We demonstrate that cell motility regulators drive random, growth factor-independent motility in the presence or absence of open space. In contrast, directed migration regulators selectively transduce growth factor signals to direct cells along the monolayer boundary toward open space. Lastly, we found that regulators of cell–cell coordination are growth factor-independent and reorient randomly migrating cells inside the sheet when boundary cells begin to migrate. Thus, cells transition from random to collective migration through a modular control system, whereby growth factor signals convert boundary cells into pioneers, while cells inside the monolayer reorient and follow pioneers through growth factor-independent migration and cell–cell coordination. PMID:19056882

Designing and implementing sample and data collection for an international genetics study: the Type 1 Diabetes Genetics Consortium (T1DGC).

PubMed

Hilner, Joan E; Perdue, Letitia H; Sides, Elizabeth G; Pierce, June J; Wägner, Ana M; Aldrich, Alan; Loth, Amanda; Albret, Lotte; Wagenknecht, Lynne E; Nierras, Concepcion; Akolkar, Beena

2010-01-01

The Type 1 Diabetes Genetics Consortium (T1DGC) is an international project whose primary aims are to: (a) discover genes that modify type 1 diabetes risk; and (b) expand upon the existing genetic resources for type 1 diabetes research. The initial goal was to collect 2500 affected sibling pair (ASP) families worldwide. T1DGC was organized into four regional networks (Asia-Pacific, Europe, North America, and the United Kingdom) and a Coordinating Center. A Steering Committee, with representatives from each network, the Coordinating Center, and the funding organizations, was responsible for T1DGC operations. The Coordinating Center, with regional network representatives, developed study documents and data systems. Each network established laboratories for: DNA extraction and cell line production; human leukocyte antigen genotyping; and autoantibody measurement. Samples were tracked from the point of collection, processed at network laboratories and stored for deposit at National Institute for Diabetes and Digestive and Kidney Diseases (NIDDK) Central Repositories. Phenotypic data were collected and entered into the study database maintained by the Coordinating Center. T1DGC achieved its original ASP recruitment goal. In response to research design changes, the T1DGC infrastructure also recruited trios, cases, and controls. Results of genetic analyses have identified many novel regions that affect susceptibility to type 1 diabetes. T1DGC created a resource of data and samples that is accessible to the research community. Participation in T1DGC was declined by some countries due to study requirements for the processing of samples at network laboratories and/or final deposition of samples in NIDDK Central Repositories. Re-contact of participants was not included in informed consent templates, preventing collection of additional samples for functional studies. T1DGC implemented a distributed, regional network structure to reach ASP recruitment targets. The infrastructure proved robust and flexible enough to accommodate additional recruitment. T1DGC has established significant resources that provide a basis for future discovery in the study of type 1 diabetes genetics.

Assessment of the Sustainability Capacity of a Coordinated Approach to Chronic Disease Prevention.

PubMed

Moreland-Russell, Sarah; Combs, Todd; Polk, LaShaun; Dexter, Sarah

This article outlines some factors that influenced the sustainability capacity of a coordinated approach to chronic disease prevention in state and territory health departments. This study involved a cross-sectional design and mixed-methods approach. Quantitative data were collected using the Program Sustainability Assessment Tool (PSAT), a 40-item multiple-choice instrument that assesses 8 domains of sustainability capacity (environmental support, funding stability, partnerships, organizational capacity, program evaluation, program adaptation, communications, and strategic planning). Qualitative data were collected via phone interviews. The PSAT was administered to staff and stakeholders from public health departments in 50 US states, District of Columbia, and Puerto Rico, who were involved in the implementation of coordinated chronic disease programs. Phone interviews were conducted with program coordinators in each state. Sustainability score patterns and state-level categorical results, as well as strengths and opportunities for improvement across the 8 program sustainability domains, were explored. On average, programs reported the strongest sustainability capacity in the domains of program adaptation, environmental support, and organizational capacity, while funding stability, strategic planning, and communications yielded lowest scores, indicating weakest capacity. Scores varied the most by state in environmental support and strategic planning. The PSAT results highlight the process through which states approached the sustainability of coordinated chronic disease initiatives. This process included an initial focus on program evaluation and partnerships with transfer of priority to long-term strategic planning, communications, and funding stability to further establish coordinated chronic disease efforts. Qualitative interviews provided further context to PSAT results, indicating that leadership, communications, partnerships, funding stability, and policy change were perceived as keys to success of the transition. Integrating these findings into future efforts may help those in transition establish greater sustainability capacity. The PSAT results and interviews provide insight into the capacity for sustainability for programs transitioning from traditional siloed programs to coordinated chronic disease programs.

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

Comparison of the EIA, EETA and ETWA, received in the model GSM TIP, at the self-consistent approach and with use of the model MSIS-90

NASA Astrophysics Data System (ADS)

Klimenko, M. V.; Klimenko, V. V.; Bryukhanov, V. V.

On the basis of the Global Self-consistent model of the thermosphere ionosphere and protonosphere GSM TIP developed in WD IZMIRAN the calculations for the quiet geomagnetic conditions of the equinox in the minimum of solar activity are carried out In the calculations the new block of the computation of electric fields in the ionosphere briefly described in COSPAR2006-A-00108 was used Two variants of calculations are executed with the account only the dynamo field generated by the thermosphere winds - completely self-consistent and with use of the model MSIS-90 for the calculation of the composition and temperature of the neutral atmosphere The results of the calculations are compared among themselves The global distributions of the foF2 the latitude behavior of the N e and T e on the near-midnight meridian at two height levels 233 and 626 km the latitude-altitude sections on the near-midnight meridian of the T e and time developments on UT of zonal component of the thermosphere wind and ion temperature at height sim 300 km and foF2 and h m F2 for three longitudinal chains of stations - Brazil Pacific and Indian in a vicinity of geomagnetic equator COSPAR2006-A-00109 calculated in two variants are submitted It is shown that at the self-consistent approach the maxima of the crests of the equatorial ionization anomaly EIA in the foF2 are shifted concerning calculated with the MSIS aside later evening hours The equatorial electron temperature anomaly EETA is formed in both variants of calculations However at the

Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and the Bethe-Salpeter equation.

PubMed

Ziaei, Vafa; Bredow, Thomas

2018-05-31

An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key in understanding complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al (2018 Nat. Commun. 9 247) predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA values by Gaiduk et al (2018 Nat. Commun. 9 247) by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via the Bethe-Salpeter equation (BSE). Only within such a self-consistent approach a simultanously accurate prediction of IP, EA, Eg, Eb is possible.

Inverse-scattering-theory approach to the exact n→∞ solutions of O(n) ϕ⁴ models on films and semi-infinite systems bounded by free surfaces.

PubMed

Rutkevich, Sergei B; Diehl, H W

2015-06-01

The O(n) ϕ(4) model on a strip bounded by a pair of planar free surfaces at separation L can be solved exactly in the large-n limit in terms of the eigenvalues and eigenfunctions of a self-consistent one-dimensional Schrödinger equation. The scaling limit of a continuum version of this model is considered. It is shown that the self-consistent potential can be eliminated in favor of scattering data by means of appropriately extended methods of inverse scattering theory. The scattering data (Jost function) associated with the self-consistent potential are determined for the L=∞ semi-infinite case in the scaling regime for all values of the temperature scaling field t=(T-T(c))/T(c) above and below the bulk critical temperature T(c). These results are used in conjunction with semiclassical and boundary-operator expansions and a trace formula to derive exact analytical results for a number of quantities such as two-point functions, universal amplitudes of two excess surface quantities, the universal amplitude difference associated with the thermal singularity of the surface free energy, and potential coefficients. The asymptotic behaviors of the scaled eigenenergies and eigenfunctions of the self-consistent Schrödinger equation as function of x=t(L/ξ(+))(1/ν) are determined for x→-∞. In addition, the asymptotic x→-∞ forms of the universal finite-size scaling functions Θ(x) and ϑ(x) of the residual free energy and the Casimir force are computed exactly to order 1/x, including their x(-1)ln|x| anomalies.

Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and the Bethe–Salpeter equation

NASA Astrophysics Data System (ADS)

Ziaei, Vafa; Bredow, Thomas

2018-05-01

An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key in understanding complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al (2018 Nat. Commun. 9 247) predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA values by Gaiduk et al (2018 Nat. Commun. 9 247) by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via the Bethe–Salpeter equation (BSE). Only within such a self-consistent approach a simultanously accurate prediction of IP, EA, Eg, Eb is possible.

Justifying quasiparticle self-consistent schemes via gradient optimization in Baym-Kadanoff theory.

PubMed

Ismail-Beigi, Sohrab

2017-09-27

The question of which non-interacting Green's function 'best' describes an interacting many-body electronic system is both of fundamental interest as well as of practical importance in describing electronic properties of materials in a realistic manner. Here, we study this question within the framework of Baym-Kadanoff theory, an approach where one locates the stationary point of a total energy functional of the one-particle Green's function in order to find the total ground-state energy as well as all one-particle properties such as the density matrix, chemical potential, or the quasiparticle energy spectrum and quasiparticle wave functions. For the case of the Klein functional, our basic finding is that minimizing the length of the gradient of the total energy functional over non-interacting Green's functions yields a set of self-consistent equations for quasiparticles that is identical to those of the quasiparticle self-consistent GW (QSGW) (van Schilfgaarde et al 2006 Phys. Rev. Lett. 96 226402-4) approach, thereby providing an a priori justification for such an approach to electronic structure calculations. In fact, this result is general, applies to any self-energy operator, and is not restricted to any particular approximation, e.g., the GW approximation for the self-energy. The approach also shows that, when working in the basis of quasiparticle states, solving the diagonal part of the self-consistent Dyson equation is of primary importance while the off-diagonals are of secondary importance, a common observation in the electronic structure literature of self-energy calculations. Finally, numerical tests and analytical arguments show that when the Dyson equation produces multiple quasiparticle solutions corresponding to a single non-interacting state, minimizing the length of the gradient translates into choosing the solution with largest quasiparticle weight.

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.

Coordinating Post-Tsunami Field Surveys in the us

NASA Astrophysics Data System (ADS)

Kong, L. S.; Chiesa, C.; Dunbar, P. K.; Huart, J.; Richards, K.; Shulters, M.; Stein, A.; Tamura, G.; Wilson, R. I.; Young, E.

2011-12-01

Post-tsunami scientific field surveys are critical for improving the understanding of tsunamis and developing tools and programs to mitigate their effects. After a destructive tsunami, international, national, and local tsunami scientists need to gather information, much of which is perishable or degrades significantly with time. An influx of researchers can put stress on countries already overwhelmed by humanitarian response to the disaster and by the demands of emergency management and other support agencies. In the United States, in addition to university research scientists, government agencies such as the National Oceanic and Atmospheric Administration (NOAA), the U.S. Geologic Survey (USGS), and state/territorial emergency management agencies and geological surveys endeavor to collect physical and social science data to better understand the physics of tsunamis and the impact they have on coastal communities and ecosystems. After a Presidential Major Disaster Declaration, the Federal Emergency Management Agency (FEMA) Joint Field Office works with state/territory emergency management agencies to coordinate response to disasters. In the short-term, the collection and immediate sharing of data enable decision-making that better organizes and deploys often-limited resources to the areas most critically in need of response; and in the long-term, improves recovery planning that will mitigate the losses from the next tsunami. Recent tsunamis have emphasized the need for improved coordination of data collection among scientists and federal, state, and local emergency managers. Improved coordination will ensure data collection efforts are carried out in a safe, secure, efficient, and timely manner. To improve coordination of activities that will better integrate the scientific investigations with government response, the US National Tsunami Hazard Mitigation Program and Pacific Risk Management 'Ohana (PRiMO) are working together to develop a consistent framework for a tsunami technical clearinghouse (TTC). The goals of the TTC, which would include at a minimum an electronic information server but could also include a physical location, are to: 1) assist in the response to, damage assessment of, and early recovery from the natural disaster; 2) facilitate researcher access to the affected areas; and 3) contribute to the capture of valuable and perishable data. The Working Group, composed of representatives from NOAA, USGS, FEMA, and state and local emergency managers and geoscientists, will engage with other stakeholders and the science community to review existing national standard operating procedures for post-tsunami scientific field surveys and data collection, as well as make recommendations for domestic application. The outcomes are intended to propose a national structure that can be consistently implemented within each state and territory.

Using social media to assess care coordination goals and plans for leukemia patients and survivors.

PubMed

Strekalova, Yulia A; Hawkins, Kimberly E; Drusbosky, Leylah M; Cogle, Cristopher R

2018-05-23

Care coordination has been shown to have a positive effect on the management of chronic disease. Specific to the management of leukemia, coordination may occur between primary care physician, medical and radiation oncologists, surgeons, cardiologists, and genetics specialists. Experiencing gaps in communication and care coordination, many health consumers seek instrumental support in their social circles, including online forums and networks. The goal of this theory-guided study was to provide an in-depth assessment of how individuals use online forums to deliberate about their goals and plans for leukemia care coordination. Guided by the planning theory of communication, the data were collected from the American Cancer Society Cancer Survivors Network and included 125 original posts and 1,248 responses. Thematic analysis and axial coding were applied to analyze the data. Goal-related themes included overcoming the diffusion of care coordination and achieving health management cohesion. Planning themes included social health management, communication self-efficacy, and role deliberation. Online patient forums provide an interactive platform for patients and caregivers to engage in active conversations, which in turn can serve as identifiers of care coordination needs. Communication with those who share similar experiences allows cancer patients and survivors to accumulate functional health literacy, gain communication self-efficacy, and articulate a care coordination role acceptable to them.

Coordination as a function of skill level in the gymnastics longswing.

PubMed

Williams, Genevieve K R; Irwin, Gareth; Kerwin, David G; Hamill, Joseph; Van Emmerik, Richard E A; Newell, Karl M

2016-01-01

The purpose of this study was to investigate the nature of inter-joint coordination at different levels of skilled performance to: (1) distinguish learners who were successful versus unsuccessful in terms of their task performance; (2) investigate the pathways of change during the learning of a new coordination pattern and (3) examine how the learner's coordination patterns relate to those of experts in the longswing gymnastics skill. Continuous relative phase of hip and shoulder joint motions was examined for longswings performed by two groups of novices, successful (n = 4) and unsuccessful (n = 4) over five practice sessions, and two expert gymnasts. Principal component analysis showed that during longswing positions where least continuous relative phase variability occurred for expert gymnasts, high variability distinguished the successful from the unsuccessful novice group. Continuous relative phase profiles of successful novices became more out-of-phase over practice and less similar to the closely in-phase coupling of the expert gymnasts. Collectively, the findings support the proposition that at the level in inter-joint coordination a technique emerges that facilitates successful performance but is not more like an expert's movement coordination. This finding questions the appropriateness of inferring development towards a "gold champion" movement coordination.

Care coordination experiences of people with disabilities enrolled in medicaid managed care.

PubMed

Bowers, Anne; Owen, Randall; Heller, Tamar

2017-10-01

To understand the impact of experience and contacts with care coordinators on Medicaid Managed Care (MMC) enrollees with disabilities. Primary data was collected from a random sample of 6000 out of the 100,000 people with disabilities enrolled in one state's mandatory MMC program. Surveys were conducted through the mail, telephone, and Internet; 1041 surveys were completed. The sample used for analysis included 442 MMC enrollees who received care coordination. Regression analyses were conducted with the outcomes of number of unmet health care needs and enrollee appraisal of the health services they received. Race, age, gender, and disability variables controlled for demographic differences, and the independent variables included enrollee experience with a care coordinator (coordinator knowledge of enrollee medical history and whether the coordinator took into account enrollee wishes and input) and frequency of contact with a care coordinator. Positive enrollee experiences with care coordinators significantly related to more positive enrollee health service appraisals and fewer unmet health care needs; frequency of contact did not have any significant impacts. People with mental health disabilities and intellectual/developmental disabilities had significantly lower health service appraisals. People with mental health disabilities had significantly more unmet needs. Quality of care coordination, but not frequency of contact alone, is associated with better health outcomes for MMC enrollees. Implications for rehabilitation Care coordination is a core component of managed care and facilitates effective healthcare management for people with complex chronic conditions and disabilities. Better experiences with care coordinators is related to fewer unmet healthcare needs and more positive health care service appraisals for Medicaid managed care enrollees. The continuous development of person-centered care coordination strategies and training programs emphasizing quality relationships between coordinators and consumers should be prioritized.

Using Landsat Surface Reflectance Data as a Reference Target for Multiswath Hyperspectral Data Collected Over Mixed Agricultural Rangeland Areas

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

McCann, Cooper; Repasky, Kevin S.; Morin, Mikindra

Low-cost flight-based hyperspectral imaging systems have the potential to provide important information for ecosystem and environmental studies as well as aide in land management. To realize this potential, methods must be developed to provide large-area surface reflectance data allowing for temporal data sets at the mesoscale. This paper describes a bootstrap method of producing a large-area, radiometrically referenced hyperspectral data set using the Landsat surface reflectance (LaSRC) data product as a reference target. The bootstrap method uses standard hyperspectral processing techniques that are extended to remove uneven illumination conditions between flight passes, allowing for radiometrically self-consistent data after mosaicking. Throughmore » selective spectral and spatial resampling, LaSRC data are used as a radiometric reference target. Advantages of the bootstrap method include the need for minimal site access, no ancillary instrumentation, and automated data processing. Data from two hyperspectral flights over the same managed agricultural and unmanaged range land covering approximately 5.8 km 2 acquired on June 21, 2014 and June 24, 2015 are presented. As a result, data from a flight over agricultural land collected on June 6, 2016 are compared with concurrently collected ground-based reflectance spectra as a means of validation.« less

Using Landsat Surface Reflectance Data as a Reference Target for Multiswath Hyperspectral Data Collected Over Mixed Agricultural Rangeland Areas

DOE PAGES

McCann, Cooper; Repasky, Kevin S.; Morin, Mikindra; ...

2017-07-25

Low-cost flight-based hyperspectral imaging systems have the potential to provide important information for ecosystem and environmental studies as well as aide in land management. To realize this potential, methods must be developed to provide large-area surface reflectance data allowing for temporal data sets at the mesoscale. This paper describes a bootstrap method of producing a large-area, radiometrically referenced hyperspectral data set using the Landsat surface reflectance (LaSRC) data product as a reference target. The bootstrap method uses standard hyperspectral processing techniques that are extended to remove uneven illumination conditions between flight passes, allowing for radiometrically self-consistent data after mosaicking. Throughmore » selective spectral and spatial resampling, LaSRC data are used as a radiometric reference target. Advantages of the bootstrap method include the need for minimal site access, no ancillary instrumentation, and automated data processing. Data from two hyperspectral flights over the same managed agricultural and unmanaged range land covering approximately 5.8 km 2 acquired on June 21, 2014 and June 24, 2015 are presented. As a result, data from a flight over agricultural land collected on June 6, 2016 are compared with concurrently collected ground-based reflectance spectra as a means of validation.« less

Proton scattering from the unstable nuclei 30S and 34Ar: structural evolution along the sulfur and argon isotopic chains*

NASA Astrophysics Data System (ADS)

Khan, E.; Suomijärvi, T.; Blumenfeld, Y.; Van Giai, Nguyen; Alamanos, N.; Auger, F.; Bauge, E.; Beaumel, D.; Delaroche, J. P.; Delbourgo-Salvador, P.; Drouart, A.; Fortier, S.; Frascaria, N.; Gillibert, A.; Girod, M.; Jouanne, C.; Kemper, K. W.; Lagoyannis, A.; Lapoux, V.; Lépine-Szily, A.; Lhenry, I.; Libert, J.; Maréchal, F.; Maison, J. M.; Musumarra, A.; Ottini-Hustache, S.; Piattelli, P.; Pita, S.; Pollacco, E. C.; Roussel-Chomaz, P.; Santonocito, D.; Sauvestre, J. E.; Scarpaci, J. A.; Zerguerras, T.

2001-11-01

Proton elastic and inelastic scattering angular distributions to the 2 1+ and 3 1- collective states of the proton-rich nuclei 30S and 34Ar were measured at 53 MeV/ A and 47 MeV/ A, respectively, using secondary beams from the GANIL facility and the MUST silicon strip detector array. Data for the stable 32S nucleus were also obtained at 53 MeV/ A for comparison. A phenomenological analysis was used to deduce the deformation parameters βp,p' for the low-lying collective excitations. A microscopic analysis was performed by generating matter and transition densities from self-consistent QRPA calculations. Configuration mixing calculations based on a collective Bohr Hamiltonian were also performed. DWBA and coupled-channel calculations using microscopic optical potentials built from these densities and the JLM interaction are compared to the data. There is no indication for the presence of proton skins in these nuclei. The microscopic calculations are extended to the even-even sulfur and argon isotopes from A=30 to A=40, and A=34 to A=44, respectively, and compared to available experimental results. On the basis of this analysis predictions are made for the 42,44S and 46Ar nuclei concerning ground state and transition densities.

Preferred orientation in experimentally deformed stishovite: implications for deformation mechanisms

DOE PAGES

Kaercher, Pamela M.; Zepeda-Alarcon, Eloisa; Prakapenka, Vitali B.; ...

2014-11-07

Although the crystal structure of the high pressure SiO 2 polymorph stishovite has been studied in detail, little is known about the development of crystallographic preferred orientation (CPO) during deformation in stishovite. Insight into CPO and associated deformation mechanics of stishovite would provide important information for understanding subduction of quartz-bearing crustal rocks into the mantle. To study CPO development, we converted a natural sample of flint to stishovite in a laser heated diamond anvil cell and compressed the stishovite aggregate up to 38 GPa. We collected diffraction patterns in radial geometry to examine in situ development of crystallographic preferred orientationmore » and find that (001) poles preferentially align with the compression direction. Viscoplastic self-consistent modeling suggests the most likely slip systems at high pressure and ambient temperature are pyramidal and basal slip.« less

Anomalous transport theory for the reversed field pinch

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

Terry, P.W.; Hegna, C.C; Sovinec, C.R.

1996-09-01

Physically motivated transport models with predictive capabilities and significance beyond the reversed field pinch (RFP) are presented. It is shown that the ambipolar constrained electron heat loss observed in MST can be quantitatively modeled by taking account of the clumping in parallel streaming electrons and the resultant self-consistent interaction with collective modes; that the discrete dynamo process is a relaxation oscillation whose dependence on the tearing instability and profile relaxation physics leads to amplitude and period scaling predictions consistent with experiment; that the Lundquist number scaling in relaxed plasmas driven by magnetic turbulence has a weak S{sup {minus}1/4} scaling; andmore » that radial E{times}B shear flow can lead to large reductions in the edge particle flux with little change in the heat flux, as observed in the RFP and tokamak. 24 refs.« less

Radiative damping and synchronization in a graphene-based terahertz emitter

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

Moskalenko, A. S., E-mail: andrey.moskalenko@physik.uni-augsburg.de; Mikhailov, S. A., E-mail: sergey.mikhailov@physik.uni-augsburg.de

2014-05-28

We investigate the collective electron dynamics in a recently proposed graphene-based terahertz emitter under the influence of the radiative damping effect, which is included self-consistently in a molecular dynamics approach. We show that under appropriate conditions synchronization of the dynamics of single electrons takes place, leading to a rise of the oscillating component of the charge current. The synchronization time depends dramatically on the applied dc electric field and electron scattering rate and is roughly inversely proportional to the radiative damping rate that is determined by the carrier concentration and the geometrical parameters of the device. The emission spectra inmore » the synchronized state, determined by the oscillating current component, are analyzed. The effective generation of higher harmonics for large values of the radiative damping strength is demonstrated.« less

Studies of positive-parity low-spin states in the A = 150 region

NASA Astrophysics Data System (ADS)

Bark, Robert; Li, Zhipan; Majola, Siyabonga; Sharpey-Schafer, John; Shi, Zhi; Zhang, Shuangquan

2018-05-01

A systematic investigation of low-lying levels of nuclides in the mass 150 region has been undertaken at iThemba LABS. An extensive set of data on the low-lying, positive-parity bands in the nuclides between N = 88 and 92 and Sm to Yb has been obtained from γ-γ coincidence measurements following fusion-evaporation reactions optimized of the population of low-spin states. The energies and electromagnetic properties of the so-called β- and γ-bands of nuclei in this region have been compared with the solutions of a five dimensional collective Hamiltonian for quadrupole vibrational and rotational degrees of freedom, with moments-of-inertia and mass parameters determined by constrained self-consistent relativistic mean-field calculations using the PC-F1 relativistic functional. Some of the results of this comparison are presented here.

Ultra-broadband ptychography with self-consistent coherence estimation from a high harmonic source

NASA Astrophysics Data System (ADS)

Odstrčil, M.; Baksh, P.; Kim, H.; Boden, S. A.; Brocklesby, W. S.; Frey, J. G.

2015-09-01

With the aim of improving imaging using table-top extreme ultraviolet sources, we demonstrate coherent diffraction imaging (CDI) with relative bandwidth of 20%. The coherence properties of the illumination probe are identified using the same imaging setup. The presented methods allows for the use of fewer monochromating optics, obtaining higher flux at the sample and thus reach higher resolution or shorter exposure time. This is important in the case of ptychography when a large number of diffraction patterns need to be collected. Our microscopy setup was tested on a reconstruction of an extended sample to show the quality of the reconstruction. We show that high harmonic generation based EUV tabletop microscope can provide reconstruction of samples with a large field of view and high resolution without additional prior knowledge about the sample or illumination.

Critical experiments of the self-consistent model for polycrystalline Hastelloy-X

NASA Technical Reports Server (NTRS)

Shi, Shixiang; Walker, Kevin P.; Jordan, Eric H.

1991-01-01

A viscoplastic constitutive model is presented for the estimation of the overall mechanical response of Hastelloy-X polycrystalline metals from a knowledge of single crystal behavior. The behavior of polycrystal is derived from that of single crystals using a self-consistent formulation. The single crystal behavior which has been used was developed by summing postulated slip on crystallographic slip systems. The plasticity and creep are treated coupledly using unified viscoplastic model which includes the interaction effects between rapid and slow deformation at elevated temperature. The validity of the model is directly tested by experiments on Hastelloy-X in both single crystal and polycrystalline versions.

A new six-component super soliton hierarchy and its self-consistent sources and conservation laws

NASA Astrophysics Data System (ADS)

Han-yu, Wei; Tie-cheng, Xia

2016-01-01

A new six-component super soliton hierarchy is obtained based on matrix Lie super algebras. Super trace identity is used to furnish the super Hamiltonian structures for the resulting nonlinear super integrable hierarchy. After that, the self-consistent sources of the new six-component super soliton hierarchy are presented. Furthermore, we establish the infinitely many conservation laws for the integrable super soliton hierarchy. Project supported by the National Natural Science Foundation of China (Grant Nos. 11547175, 11271008 and 61072147), the First-class Discipline of University in Shanghai, China, and the Science and Technology Department of Henan Province, China (Grant No. 152300410230).

A self-consistent model of an isothermal tokamak

NASA Astrophysics Data System (ADS)

McNamara, Steven; Lilley, Matthew

2014-10-01

Continued progress in liquid lithium coating technologies have made the development of a beam driven tokamak with minimal edge recycling a feasibly possibility. Such devices are characterised by improved confinement due to their inherent stability and the suppression of thermal conduction. Particle and energy confinement become intrinsically linked and the plasma thermal energy content is governed by the injected beam. A self-consistent model of a purely beam fuelled isothermal tokamak is presented, including calculations of the density profile, bulk species temperature ratios and the fusion output. Stability considerations constrain the operating parameters and regions of stable operation are identified and their suitability to potential reactor applications discussed.

A new approach to modeling the effective thermal conductivity of ceramics porous media using a generalized self-consistent method

NASA Astrophysics Data System (ADS)

Edrisi, Siroos; Bidhendi, Norollah Kasiri; Haghighi, Maryam

2017-01-01

Effective thermal conductivity of the porous media was modeled based on a self-consistent method. This model estimates the heat transfer between insulator surface and air cavities accurately. In this method, the pore size and shape, the temperature gradient and other thermodynamic properties of the fluid was taken into consideration. The results are validated by experimental data for fire bricks used in cracking furnaces at the olefin plant of Maroon petrochemical complexes well as data published for polyurethane foam (synthetic polymers) IPTM and IPM. The model predictions present a good agreement against experimental data with thermal conductivity deviating <1 %.

Theoretical research program to study chemical reactions in AOTV bow shock tubes

NASA Technical Reports Server (NTRS)

Taylor, P.

1986-01-01

Progress in the development of computational methods for the characterization of chemical reactions in aerobraking orbit transfer vehicle (AOTV) propulsive flows is reported. Two main areas of code development were undertaken: (1) the implementation of CASSCF (complete active space self-consistent field) and SCF (self-consistent field) analytical first derivatives on the CRAY X-MP; and (2) the installation of the complete set of electronic structure codes on the CRAY 2. In the area of application calculations the main effort was devoted to performing full configuration-interaction calculations and using these results to benchmark other methods. Preprints describing some of the systems studied are included.

A practical guide to density matrix embedding theory in quantum chemistry

DOE PAGES

Wouters, Sebastian; Jimenez-Hoyos, Carlos A.; Sun, Qiming; ...

2016-05-09

Density matrix embedding theory (DMET) (Knizia, G.; Chan, G. K.-L. Phys. Rev. Lett. 2012, 109, 186404) provides a theoretical framework to treat finite fragments in the presence of a surrounding molecular or bulk environment, even when there is significant correlation or entanglement between the two. In this work, we give a practically oriented and explicit description of the numerical and theoretical formulation of DMET. Here, we also describe in detail how to perform self-consistent DMET optimizations. We explore different embedding strategies with and without a self-consistency condition in hydrogen rings, beryllium rings, and a sample SN2 reaction.

Single-World Theory of the Extended Wigner's Friend Experiment

NASA Astrophysics Data System (ADS)

Sudbery, Anthony

2017-05-01

Frauchiger and Renner have recently claimed to prove that "Single-world interpretations of quantum theory cannot be self-consistent". This is contradicted by a construction due to Bell, inspired by Bohmian mechanics, which shows that any quantum system can be modelled in such a way that there is only one "world" at any time, but the predictions of quantum theory are reproduced. This Bell-Bohmian theory is applied to the experiment proposed by Frauchiger and Renner, and their argument is critically examined. It is concluded that it is their version of "standard quantum theory", incorporating state vector collapse upon measurement, that is not self-consistent.

Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations

DOE PAGES

Bjorgaard, J. A.; Kuzmenko, V.; Velizhanin, K. A.; ...

2015-01-22

In this study, we implement and examine three excited state solvent models in time-dependent self-consistent field methods using a consistent formalism which unambiguously shows their relationship. These are the linear response, state specific, and vertical excitation solvent models. Their effects on energies calculated with the equivalent of COSMO/CIS/AM1 are given for a set of test molecules with varying excited state charge transfer character. The resulting solvent effects are explained qualitatively using a dipole approximation. It is shown that the fundamental differences between these solvent models are reflected by the character of the calculated excitations.

Self-consistent perturbed equilibrium with neoclassical toroidal torque in tokamaks

DOE PAGES

Park, Jong-Kyu; Logan, Nikolas C.

2017-03-01

Toroidal torque is one of the most important consequences of non-axisymmetric fields in tokamaks. The well-known neoclassical toroidal viscosity (NTV) is due to the second-order toroidal force from anisotropic pressure tensor in the presence of these asymmetries. This work shows that the first-order toroidal force originating from the same anisotropic pressure tensor, despite having no flux surface average, can significantly modify the local perturbed force balance and thus must be included in perturbed equilibrium self-consistent with NTV. The force operator with an anisotropic pressure tensor is not self-adjoint when the NTV torque is finite and thus is solved directly formore » each component. This approach yields a modified, non-self-adjoint Euler-Lagrange equation that can be solved using a variety of common drift-kinetic models in generalized tokamak geometry. The resulting energy and torque integral provides a unique way to construct a torque response matrix, which contains all the information of self-consistent NTV torque profiles obtainable by applying non-axisymmetric fields to the plasma. This torque response matrix can then be used to systematically optimize non-axisymmetric field distributions for desired NTV profiles. Published by AIP Publishing.« less

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.

Superthermal Electron Energy Interchange in the Ionosphere-Plasmasphere System

NASA Technical Reports Server (NTRS)

Khazanov, G. V.; Glocer, A.; Liemohn, M. W.; Himwich, E. W.

2013-01-01

A self-consistent approach to superthermal electron (SE) transport along closed field lines in the inner magnetosphere is used to examine the concept of plasmaspheric transparency, magnetospheric trapping, and SE energy deposition to the thermal electrons. The dayside SE population is generated both by photoionization of the thermosphere and by secondary electron production from impact ionization when the photoelectrons collide with upper atmospheric neutral particles. It is shown that a self-consistent approach to this problem produces significant changes, in comparison with other approaches, in the SE energy exchange between the plasmasphere and the two magnetically conjugate ionospheres. In particular, plasmaspheric transparency can vary by a factor of two depending on the thermal plasma content along the field line and the illumination conditions of the two conjugate ionospheres. This variation in plasmaspheric transparency as a function of thermal plasma and ionospheric conditions increases with L-shell, as the field line gets longer and the equatorial pitch angle extent of the fly-through zone gets smaller. The inference drawn from these results is that such a self-consistent approach to SE transport and energy deposition should be included to ensure robustness in ionosphere-magnetosphere modeling networks.

Collisionless absorption of intense laser radiation in nanoplasma

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

Zaretsky, D F; Korneev, Philipp A; Popruzhenko, Sergei V

The rate of linear collisionless absorption of an electromagnetic radiation in a nanoplasma - classical electron gas localised in a heated ionised nanosystem (thin film or cluster) irradiated by an intense femtosecond laser pulse - is calculated. The absorption is caused by the inelastic electron scattering from the self-consistent potential of the system in the presence of a laser field. The effect proves to be appreciable because of a small size of the systems. General expressions are obtained for the absorption rate as a function of the parameters of the single-particle self-consistent potential and electron distribution function in the regimemore » linear in field. For the simplest cases, where the self-consistent field is created by an infinitely deep well or an infinite charged plane, closed analytic expressions are obtained for the absorption rate. Estimates presented in the paper demonstrate that, over a wide range of the parameters of laser pulses and nanostructures, the collisionless mechanism of heating electron subsystem can be dominant. The possibility of experimental observation of the collisionless absorption of intense laser radiation in nanoplasma is also discussed. (interaction of laser radiation with matter)« less

An eigenvalue approach to quantum plasmonics based on a self-consistent hydrodynamics method

NASA Astrophysics Data System (ADS)

Ding, Kun; Chan, C. T.

2018-02-01

Plasmonics has attracted much attention not only because it has useful properties such as strong field enhancement, but also because it reveals the quantum nature of matter. To handle quantum plasmonics effects, ab initio packages or empirical Feibelman d-parameters have been used to explore the quantum correction of plasmonic resonances. However, most of these methods are formulated within the quasi-static framework. The self-consistent hydrodynamics model offers a reliable approach to study quantum plasmonics because it can incorporate the quantum effect of the electron gas into classical electrodynamics in a consistent manner. Instead of the standard scattering method, we formulate the self-consistent hydrodynamics method as an eigenvalue problem to study quantum plasmonics with electrons and photons treated on the same footing. We find that the eigenvalue approach must involve a global operator, which originates from the energy functional of the electron gas. This manifests the intrinsic nonlocality of the response of quantum plasmonic resonances. Our model gives the analytical forms of quantum corrections to plasmonic modes, incorporating quantum electron spill-out effects and electrodynamical retardation. We apply our method to study the quantum surface plasmon polariton for a single flat interface.

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.

Transition to synchrony in degree-frequency correlated Sakaguchi-Kuramoto model

NASA Astrophysics Data System (ADS)

Kundu, Prosenjit; Khanra, Pitambar; Hens, Chittaranjan; Pal, Pinaki

2017-11-01

We investigate transition to synchrony in degree-frequency correlated Sakaguchi-Kuramoto (SK) model on complex networks both analytically and numerically. We analytically derive self-consistent equations for group angular velocity and order parameter for the model in the thermodynamic limit. Using the self-consistent equations we investigate transition to synchronization in SK model on uncorrelated scale-free (SF) and Erdős-Rényi (ER) networks in detail. Depending on the degree distribution exponent (γ ) of SF networks and phase-frustration parameter, the population undergoes from first-order transition [explosive synchronization (ES)] to second-order transition and vice versa. In ER networks transition is always second order irrespective of the values of the phase-lag parameter. We observe that the critical coupling strength for the onset of synchronization is decreased by phase-frustration parameter in case of SF network where as in ER network, the phase-frustration delays the onset of synchronization. Extensive numerical simulations using SF and ER networks are performed to validate the analytical results. An analytical expression of critical coupling strength for the onset of synchronization is also derived from the self-consistent equations considering the vanishing order parameter limit.

Self-consistent large- N analytical solutions of inhomogeneous condensates in quantum ℂP N - 1 model

NASA Astrophysics Data System (ADS)

Nitta, Muneto; Yoshii, Ryosuke

2017-12-01

We give, for the first time, self-consistent large- N analytical solutions of inhomogeneous condensates in the quantum ℂP N - 1 model in the large- N limit. We find a map from a set of gap equations of the ℂP N - 1 model to those of the Gross-Neveu (GN) model (or the gap equation and the Bogoliubov-de Gennes equation), which enables us to find the self-consistent solutions. We find that the Higgs field of the ℂP N - 1 model is given as a zero mode of solutions of the GN model, and consequently only topologically non-trivial solutions of the GN model yield nontrivial solutions of the ℂP N - 1 model. A stable single soliton is constructed from an anti-kink of the GN model and has a broken (Higgs) phase inside its core, in which ℂP N - 1 modes are localized, with a symmetric (confining) phase outside. We further find a stable periodic soliton lattice constructed from a real kink crystal in the GN model, while the Ablowitz-Kaup-Newell-Segur hierarchy yields multiple solitons at arbitrary separations.

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.

Self-Consistent Superthermal Electron Effects on Plasmaspheric Refilling

NASA Technical Reports Server (NTRS)

Liemohn, M. W.; Khazanov, G. V.; Moore, T. E.; Guiter, S. M.

1997-01-01

The effects of self-consistently including superthermal electrons in the definition of the ambipolar electric field are investigated for the case of plasmaspheric refilling after a geomagnetic storm. By using the total electron population in the hydrodynamic equations, a method for incorporating superthermal electron parameters in the electric field and electron temperature calculation is developed. Also, the ambipolar electric field is included in the kinetic equation for the superthermal electrons through a change of variables using the total energy and the first adiabatic invariant. Calculations based on these changes are performed by coupling time-dependent models of the thermal plasma and superthermal electrons. Results from this treatment of the electric field and the self-consistent development of the solution are discussed in detail. Specifically, there is a decreased thermal electron density in the plasmasphere during the first few minutes of refilling, a slightly accelerated proton shock front, and a decreased superthermal electron flux due to the deceleration by the electric field. The timescales of plasmaspheric refilling are discussed and determined to be somewhat shorter than previously calculated for the thermal plasma and superthermal electron population due to the effects of the field-aligned potential.

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

Embryonic cell-cell adhesion: a key player in collective neural crest migration.

PubMed

Barriga, Elias H; Mayor, Roberto

2015-01-01

Cell migration is essential for morphogenesis, adult tissue remodeling, wound healing, and cancer cell migration. Cells can migrate as individuals or groups. When cells migrate in groups, cell-cell interactions are crucial in order to promote the coordinated behavior, essential for collective migration. Interestingly, recent evidence has shown that cell-cell interactions are also important for establishing and maintaining the directionality of these migratory events. We focus on neural crest cells, as they possess extraordinary migratory capabilities that allow them to migrate and colonize tissues all over the embryo. Neural crest cells undergo an epithelial-to-mesenchymal transition at the same time than perform directional collective migration. Cell-cell adhesion has been shown to be an important source of planar cell polarity and cell coordination during collective movement. We also review molecular mechanisms underlying cadherin turnover, showing how the modulation and dynamics of cell-cell adhesions are crucial in order to maintain tissue integrity and collective migration in vivo. We conclude that cell-cell adhesion during embryo development cannot be considered as simple passive resistance to force, but rather participates in signaling events that determine important cell behaviors required for cell migration. © 2015 Elsevier Inc. All rights reserved.

Patient-reported care coordination: associations with primary care continuity and specialty care use.

PubMed

Liss, David T; Chubak, Jessica; Anderson, Melissa L; Saunders, Kathleen W; Tuzzio, Leah; Reid, Robert J

2011-01-01

Care coordination is increasingly recognized as a necessary element of high-quality, patient-centered care. This study investigated (1) the association between care coordination and continuity of primary care, and (2) differences in this association by level of specialty care use. We conducted a cross-sectional study of Medicare enrollees with select chronic conditions in an integrated health care delivery system in Washington State. We collected survey information on patient experiences and automated health care utilization data for 1 year preceding survey completion. Coordination was defined by the coordination measure from the short form of the Ambulatory Care Experiences Survey (ACES). Continuity was measured by primary care visit concentration. Patients who had 10 or more specialty care visits were classified as high users. Linear regression was used to estimate the association between coordination and continuity, controlling for potential confounders and clustering within clinicians. We used a continuity-by-specialty interaction term to determine whether the continuity-coordination association was modified by high specialty care use. Among low specialty care users, an increase of 1 standard deviation (SD) in continuity was associated with an increase of 2.71 in the ACES coordination scale (P <.001). In high specialty care users, we observed no association between continuity and reported coordination (P= .77). High use of specialty care may strain the ability of primary care clinicians to coordinate care effectively. Future studies should investigate care coordination interventions that allow for appropriate specialty care referrals without diminishing the ability of primary care physicians to manage overall patient care.

A collection of edge-based elements

NASA Technical Reports Server (NTRS)

Kempel, Leo C.; Volakis, John L.

1992-01-01

Edge-based elements have proved useful in solving electromagnetic problems since they are nondivergent. Previous authors have presented several two and three dimensional elements. Herein, we present four types of elements which are suitable for modeling several types of three dimensional geometries. Distorted brick and triangular prism elements are given in cartesian coordinates as well as the specialized cylindrical shell and pie-shaped prism elements which are suitable for problems best described in polar cylindrical coordinates.

The U.S culture collection network lays the foundation for progress in preservation of valuable microbial resources

Treesearch

K. McCluskey; A. Alvarez; R. Bennett; D. Bokati; K. Boundy-Mills; D. D. Brown; C. T. Bull; M. Coffey; T. Dreaden; C. Duke; G. Dye; E. Ehmke; K. Eversole; K. Fenstermacher; D. Geiser; Jessie A. Glaeser; S. Greene; L. Gribble; M. P. Griffith; K. Hanser; R. Humber; B. W. Johnson; A. Kermode; M. Krichevsky; M. Laudon; J. Leach; J. Leslie; M. May; U. Melcher; D. Nobles; N. R. Fonseca; S. Robinson; M. Ryan; J. Scott; C. Silflow; A. Vidaver; K. M. Webb; J. E. Wertz; S. Yentsch; S. Zehr

2016-01-01

The U.S. Culture Collection Network was formed in 2012 by a group of culture collection scientists and stakeholders in order to continue the progress established previously through efforts of an ad hoc group. The network is supported by a Research Coordination Network grant from the U.S. National Science Foundation (NSF) and has the goals of promoting interaction among...

The U.S.Culture Collection Network lays the foundation for progress in preservation of valuable microbial resources

Treesearch

Kevin McCluskey; Anne Alvarez; Rick Bennett; Deepak Bokati; Kyria Boundy-Mills; Daniel Brown; Carolee T. Bull; Michael Coffey; Tyler Dreaden; Clifford Duke; Greg Dye; Erin Ehmke; Kellye Eversole; Kristi Fenstermacher; David Geiser; Jessie A. Glaeser; Stephanie Greene; Lisa Gribble; M. Patrick Griffith; Kathryn Hanser; Richard Humber; Barbara W. Johnson; Anthony Kermode; Micah Krichevsky; Matt Laudon; Jan Leach; John Leslie; Meghan May; Ulrich Melcher; David Nobles; Natalia Risso Fonseca; Sara Robinson; Matthew Ryan; James Scott; Carolyn Silflow; Anne Vidaver; Kimberly M. Webb; John E. Wertz; Sara Yentsch; Sarah Zehr

2016-01-01

The U. S. Culture Collection Network was formed in 2012 by a group of culture collection scientists and stakeholders in order to continue the progress established previously through efforts of an ad hock group.  The network is supported by a Research Coordination Network grant from the U.S. National Science Foundation (NSF) and has the goals of promoting interaction...

Ultrashort laser pulses and electromagnetic pulse generation in air and on dielectric surfaces.

PubMed

Sprangle, P; Peñano, J R; Hafizi, B; Kapetanakos, C A

2004-06-01

Intense, ultrashort laser pulses propagating in the atmosphere have been observed to emit sub-THz electromagnetic pulses (EMPS). The purpose of this paper is to analyze EMP generation from the interaction of ultrashort laser pulses with air and with dielectric surfaces and to determine the efficiency of conversion of laser energy to EMP energy. In our self-consistent model the laser pulse partially ionizes the medium, forms a plasma filament, and through the ponderomotive forces associated with the laser pulse, drives plasma currents which are the source of the EMP. The propagating laser pulse evolves under the influence of diffraction, Kerr focusing, plasma defocusing, and energy depletion due to electron collisions and ionization. Collective effects and recombination processes are also included in the model. The duration of the EMP in air, at a fixed point, is found to be a few hundred femtoseconds, i.e., on the order of the laser pulse duration plus the electron collision time. For steady state laser pulse propagation the flux of EMP energy is nonradiative and axially directed. Radiative EMP energy is present only for nonsteady state or transient laser pulse propagation. The analysis also considers the generation of EMP on the surface of a dielectric on which an ultrashort laser pulse is incident. For typical laser parameters, the power and energy conversion efficiency from laser radiation to EMP radiation in both air and from dielectric surfaces is found to be extremely small, < 10(-8). Results of full-scale, self-consistent, numerical simulations of atmospheric and dielectric surface EMP generation are presented. A recent experiment on atmospheric EMP generation is also simulated.

Ion pre-acceleration in fully self-consistent particle-in-cell simulations of supercritical perpendicular reforming shocks in multiple ion species plasmas

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

Rekaa, V. L.; Chapman, S. C.; Dendy, R. O., E-mail: v.l.rekaa@fys.uio.no

2014-08-10

Supernova remnant and heliopause termination shock plasmas may contain significant populations of minority heavy ions, with relative number densities n{sub α}/n{sub i} up to 50%. Preliminary kinetic simulations of collisionless shocks in these environments showed that the reformation cycle and acceleration mechanisms at quasi-perpendicular shocks can depend on the value of n{sub α}/n{sub i} . Shock reformation unfolds on ion spatio-temporal scales, requiring fully kinetic simulations of particle dynamics, together with the self-consistent electric and magnetic fields. This paper presents the first set of particle-in-cell simulations for two ion species, protons (n{sub p} ) and α-particles (n{sub α}), with differingmore » mass and charge-to-mass ratios, that spans the entire range of n{sub α}/n{sub i} from 0% to 100%. The interplay between the differing gyro length scales and timescales of the ion species is crucial to the time-evolving phenomenology of the shocks, the downstream turbulence, and the particle acceleration at different n{sub α}/n{sub i} . We show how the overall energization changes with n{sub α}/n{sub i} , and relate this to the processes individual ions undergo in the shock region and in the downstream turbulence, and to the power spectra of magnetic field fluctuations. The crossover between shocks dominated by the respective ion species happens when n{sub α}/n{sub i} = 25%, and minority ion energization is strongest in this regime. Energization of the majority ion species scales with injection energy. The power spectrum of the downstream turbulence includes peaks at sequential ion cyclotron harmonics, suggestive of ion ring-beam collective instability.« less

Finite amplitude method applied to the giant dipole resonance in heavy rare-earth nuclei

NASA Astrophysics Data System (ADS)

Oishi, Tomohiro; Kortelainen, Markus; Hinohara, Nobuo

2016-03-01

Background: The quasiparticle random phase approximation (QRPA), within the framework of nuclear density functional theory (DFT), has been a standard tool to access the collective excitations of atomic nuclei. Recently, the finite amplitude method (FAM) was developed in order to perform the QRPA calculations efficiently without any truncation on the two-quasiparticle model space. Purpose: We discuss the nuclear giant dipole resonance (GDR) in heavy rare-earth isotopes, for which the conventional matrix diagonalization of the QRPA is numerically demanding. A role of the Thomas-Reiche-Kuhn (TRK) sum rule enhancement factor, connected to the isovector effective mass, is also investigated. Methods: The electric dipole photoabsorption cross section was calculated within a parallelized FAM-QRPA scheme. We employed the Skyrme energy density functional self-consistently in the DFT calculation for the ground states and FAM-QRPA calculation for the excitations. Results: The mean GDR frequency and width are mostly reproduced with the FAM-QRPA, when compared to experimental data, although some deficiency is observed with isotopes heavier than erbium. A role of the TRK enhancement factor in actual GDR strength is clearly shown: its increment leads to a shift of the GDR strength to higher-energy region, without a significant change in the transition amplitudes. Conclusions: The newly developed FAM-QRPA scheme shows remarkable efficiency, which enables one to perform systematic analysis of GDR for heavy rare-earth nuclei. The theoretical deficiency of the photoabsorption cross section could not be improved by only adjusting the TRK enhancement factor, suggesting the necessity of an approach beyond self-consistent QRPA and/or a more systematic optimization of the energy density functional (EDF) parameters.

Unified Planetary Coordinates System: A Searchable Database of Geodetic Information

NASA Technical Reports Server (NTRS)

Becker, K. J.a; Gaddis, L. R.; Soderblom, L. A.; Kirk, R. L.; Archinal, B. A.; Johnson, J. R.; Anderson, J. A.; Bowman-Cisneros, E.; LaVoie, S.; McAuley, M.

2005-01-01

Over the past 40 years, an enormous quantity of orbital remote sensing data has been collected for Mars from many missions and instruments. Unfortunately these datasets currently exist in a wide range of disparate coordinate systems, making it extremely difficult for the scientific community to easily correlate, combine, and compare data from different Mars missions and instruments. As part of our work for the PDS Imaging Node and on behalf of the USGS Astrogeology Team, we are working to solve this problem and to provide the NASA scientific research community with easy access to Mars orbital data in a unified, consistent coordinate system along with a wide variety of other key geometric variables. The Unified Planetary Coordinates (UPC) system is comprised of two main elements: (1) a database containing Mars orbital remote sensing data computed using a uniform coordinate system, and (2) a process by which continual maintainance and updates to the contents of the database are performed.

77 FR 14531 - Proposed Collection; Comment Request; Web-Based Assessment of the NHLBI Clinical Studies Support...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-12

... Request; Web-Based Assessment of the NHLBI Clinical Studies Support Center (CSSC) SUMMARY: In compliance... the Office of Management and Budget (OMB) for review and approval. Proposed Collection: Title: Web...); coordinating meeting space and logistics for in-person meetings, Web conferences, and teleconferences; managing...

76 FR 48171 - Agency Information Collection Activities: Proposed Collection: Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-08

... through the appropriate State Primary Care Offices, State Primary Care Associations and the NHSC. The... to build better systems of care. The NHSC Site Application, which renames and revises the previous... Director, Division of Policy and Information Coordination. [FR Doc. 2011-20077 Filed 8-5-11; 8:45 am...

Combined Release and Radiation Effects Satellite (CRRES) experiments data collection, analysis, and publication

NASA Technical Reports Server (NTRS)

Long, Terry N.; Alzmann, Melanie O.

1992-01-01

The Combined Release and Radiation Effects Satellite (CRRES) program experiments data collection, analysis, and publication activities are described. These activities were associated with both the satellite chemical release and a planned Puerto Rico sounding rocket campaign. To coordinate these activities, a working group meeting was organized and conducted.