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Sample records for all-electron explicitly correlated

  1. Singlet-triplet energy splitting between 1D and 3D (1s2 2s nd), n = 3, 4, 5, and 6, Rydberg states of the beryllium atom (9Be) calculated with all-electron explicitly correlated Gaussian functions

    NASA Astrophysics Data System (ADS)

    Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik

    2014-11-01

    Accurate variational nonrelativistic quantum-mechanical calculations are performed for the five lowest 1D and four lowest 3D states of the 9Be isotope of the beryllium atom. All-electron explicitly correlated Gaussian (ECG) functions are used in the calculations and their nonlinear parameters are optimized with the aid of the analytical energy gradient determined with respect to these parameters. The effect of the finite nuclear mass is directly included in the Hamiltonian used in the calculations. The singlet-triplet energy gaps between the corresponding 1D and 3D states, are reported.

  2. An algorithm for nonrelativistic quantum-mechanical finite-nuclear-mass variational calculations of nitrogen atom in L = 0, M = 0 states using all-electrons explicitly correlated Gaussian basis functions

    SciTech Connect

    Sharkey, Keeper L.; Adamowicz, Ludwik

    2014-05-07

    An algorithm for quantum-mechanical nonrelativistic variational calculations of L = 0 and M = 0 states of atoms with an arbitrary number of s electrons and with three p electrons have been implemented and tested in the calculations of the ground {sup 4}S state of the nitrogen atom. The spatial part of the wave function is expanded in terms of all-electrons explicitly correlated Gaussian functions with the appropriate pre-exponential Cartesian angular factors for states with the L = 0 and M = 0 symmetry. The algorithm includes formulas for calculating the Hamiltonian and overlap matrix elements, as well as formulas for calculating the analytic energy gradient determined with respect to the Gaussian exponential parameters. The gradient is used in the variational optimization of these parameters. The Hamiltonian used in the approach is obtained by rigorously separating the center-of-mass motion from the laboratory-frame all-particle Hamiltonian, and thus it explicitly depends on the finite mass of the nucleus. With that, the mass effect on the total ground-state energy is determined.

  3. An Explicitly Correlated Wavelet Method for the Electronic Schroedinger Equation

    SciTech Connect

    Bachmayr, Markus

    2010-09-30

    A discretization for an explicitly correlated formulation of the electronic Schroedinger equation based on hyperbolic wavelets and exponential sum approximations of potentials is described, covering mathematical results as well as algorithmic realization, and discussing in particular the potential of methods of this type for parallel computing.

  4. Explicitly correlated multireference configuration interaction: MRCI-F12

    NASA Astrophysics Data System (ADS)

    Shiozaki, Toru; Knizia, Gerald; Werner, Hans-Joachim

    2011-01-01

    An internally contracted multireference configuration interaction is developed which employs wave functions that explicitly depend on the electron-electron distance (MRCI-F12). This MRCI-F12 method has the same applicability as the MRCI method, while having much improved basis-set convergence with little extra computational cost. The F12b approximation is used to arrive at a computationally efficient implementation. The MRCI-F12 method is applied to the singlet-triplet separation of methylene, the dissociation energy of ozone, properties of diatomic molecules, and the reaction barrier and exothermicity of the F + H{}_2 reaction. These examples demonstrate that already with basis sets of moderate size the method provides near complete basis set MRCI accuracy, and hence quantitative agreement with the experimental data. As a side product, we have also implemented the explicitly correlated multireference averaged coupled pair functional method (MRACPF-F12).

  5. Explicitly correlated multireference configuration interaction: MRCI-F12.

    PubMed

    Shiozaki, Toru; Knizia, Gerald; Werner, Hans-Joachim

    2011-01-21

    An internally contracted multireference configuration interaction is developed which employs wave functions that explicitly depend on the electron-electron distance (MRCI-F12). This MRCI-F12 method has the same applicability as the MRCI method, while having much improved basis-set convergence with little extra computational cost. The F12b approximation is used to arrive at a computationally efficient implementation. The MRCI-F12 method is applied to the singlet-triplet separation of methylene, the dissociation energy of ozone, properties of diatomic molecules, and the reaction barrier and exothermicity of the F + H(2) reaction. These examples demonstrate that already with basis sets of moderate size the method provides near complete basis set MRCI accuracy, and hence quantitative agreement with the experimental data. As a side product, we have also implemented the explicitly correlated multireference averaged coupled pair functional method (MRACPF-F12). PMID:21261336

  6. Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach

    SciTech Connect

    Sirjoosingh, Andrew; Pak, Michael V.; Brorsen, Kurt R.; Hammes-Schiffer, Sharon

    2015-06-07

    The nuclear-electronic orbital (NEO) approach treats select nuclei quantum mechanically on the same level as the electrons and includes nonadiabatic effects between the electrons and the quantum nuclei. The practical implementation of this approach is challenging due to the significance of electron-nucleus dynamical correlation. Herein, we present a general extension of the previously developed reduced NEO explicitly correlated Hartree-Fock (RXCHF) approach, in which only select electronic orbitals are explicitly correlated to each quantum nuclear orbital via Gaussian-type geminal functions. Approximations of the electronic exchange between the geminal-coupled electronic orbitals and the other electronic orbitals are also explored. This general approach enables computationally tractable yet accurate calculations on molecular systems with quantum protons. The RXCHF method is applied to the hydrogen cyanide (HCN) and FHF{sup −} systems, where the proton and all electrons are treated quantum mechanically. For the HCN system, only the two electronic orbitals associated with the CH covalent bond are geminal-coupled to the proton orbital. For the FHF{sup −} system, only the four electronic orbitals associated with the two FH covalent bonds are geminal-coupled to the proton orbital. For both systems, the RXCHF method produces qualitatively accurate nuclear densities, in contrast to mean field-based NEO approaches. The development and implementation of the RXCHF method provide the framework to perform calculations on systems such as proton-coupled electron transfer reactions, where electron-proton nonadiabatic effects are important.

  7. Explicitly correlated ring-coupled-cluster-doubles theory

    SciTech Connect

    Hehn, Anna-Sophia; Klopper, Wim; Tew, David P.

    2015-05-21

    The connection between the random-phase approximation and the ring-coupled-cluster-doubles method bridges the gap between density-functional and wave-function theories and the importance of the random-phase approximation lies in both its broad applicability and this linking role in electronic-structure theory. In this contribution, we present an explicitly correlated approach to the random-phase approximation, based on the direct ring-coupled-cluster-doubles ansatz, which overcomes the problem of slow basis-set convergence, inherent to the random-phase approximation. Benchmark results for a test set of 106 molecules and a selection of 10 organic complexes from the S22 test set demonstrate that convergence to within 99% of the basis-set limit is reached for triple-zeta basis sets for atomisation energies, while quadruple-zeta basis sets are required for interaction energies. Corrections due to single excitations into the complementary auxiliary space reduce the basis-set incompleteness error by one order of magnitude, while contributions due to the coupling of conventional and geminal amplitudes are in general negligible. We find that a non-iterative explicitly correlated correction to first order in perturbation theory exhibits the best ratio of accuracy to computational cost.

  8. Explicitly correlated treatment of the Ar-NO{sup +} cation

    SciTech Connect

    Halvick, Philippe; Stoecklin, Thierry; Lique, Francois; Hochlaf, Majdi

    2011-07-28

    We present an application of the recently developed explicitly correlated coupled cluster method to the generation of the three-dimensional potential energy surface (PES) of the Ar-NO{sup +} cationic complex. A good overall agreement is found with the standard coupled clusters techniques employing correlation consistent atomic basis sets (aug-cc-pVnZ, n= D, T, Q) of Wright et al. This PES is then used in quantum close-coupling scattering and variational calculations to treat the nuclear motions. The bound states energies of the Ar-NO{sup +} complex obtained by both approaches are in good agreement with the available experimental results. The analysis of the vibrational wavefunctions shows strong anharmonic resonances between the low frequency modes (intermonomer bending and stretching modes) and the wavefunctions exhibit large amplitude motions.

  9. Explicitly correlated Gaussian calculations of the {sup 2}D Rydberg states of the boron atom

    SciTech Connect

    Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik

    2012-08-14

    Accurate non-relativistic variational calculations are performed for the seven lowest members of the {sup 2}D Rydberg series (1s{sup 2}2s2p{sup 2}, and 1s{sup 2}2s{sup 2}nd, n= 3, Horizontal-Ellipsis , 8) of the boron atom. The wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian basis functions and the effect of the finite nuclear mass is directly included in the calculations allowing for determining the isotopic shifts of the energy levels. The Gaussian basis is optimized independently for each state with the aid of the analytic energy gradient with respect to the Gaussian parameters. The calculations represent the highest accuracy level currently achievable for the considered states. The computed energies are compared with the available experimental data.

  10. Relativistic explicit correlation: Coalescence conditions and practical suggestions

    NASA Astrophysics Data System (ADS)

    Li, Zhendong; Shao, Sihong; Liu, Wenjian

    2012-04-01

    To set up the general framework for relativistic explicitly correlated wave function methods, the electron-electron coalescence conditions are derived for the wave functions of the Dirac-Coulomb (DC), Dirac-Coulomb-Gaunt (DCG), Dirac-Coulomb-Breit (DCB), modified Dirac-Coulomb (MDC), and zeroth-order regularly approximated (ZORA) Hamiltonians. The manipulations make full use of the internal symmetries of the reduced two-electron Hamiltonians such that the asymptotic behaviors of the wave functions emerge naturally. The results show that, at the coalescence point of two electrons, the wave functions of the DCG Hamiltonian are regular, while those of the DC and DCB Hamiltonians have weak singularities of the type r_{12}^{ν } with ν being negative and of O(α ^2). The behaviors of the MDC wave functions are related to the original ones in a simple manner, while the spin-free counterparts are somewhat different due to the complicated electron-electron interaction. The behaviors of the ZORA wave functions depend on the chosen potential in the kinetic energy operator. In the case of the nuclear attraction, the behaviors of the ZORA wave functions are very similar to those of the nonrelativistic ones, just with an additional correction of O(α ^2) to the nonrelativistic cusp condition. However, if the Coulomb interaction is also included, the ZORA wave functions become close to the large-large components of the DC wave functions. Note that such asymptotic expansions of the relativistic wave functions are only valid within an extremely small convergence radius Rc of O(α ^2). Beyond this radius, the behaviors of the relativistic wave functions are still dominated by the nonrelativistic limit, as can be seen in terms of direct perturbation theory (DPT) of relativity. However, as the two limits α → 0 and r12 → 0 do not commute, DPT is doomed to fail due to incorrect descriptions of the small-small component ΨSS of the DC wave function for r12 < Rc. Another deduction

  11. Neural correlates of conceptual implicit memory and their contamination of putative neural correlates of explicit memory.

    PubMed

    Voss, Joel L; Paller, Ken A

    2007-04-01

    During episodic recognition tests, meaningful stimuli such as words can engender both conscious retrieval (explicit memory) and facilitated access to meaning that is distinct from the awareness of remembering (conceptual implicit memory). Neuroimaging investigations of one type of memory are frequently subject to the confounding influence of the other type of memory, thus posing a serious impediment to theoretical advances in this area. We used minimalist visual shapes (squiggles) to attempt to overcome this problem. Subjective ratings of squiggle meaningfulness varied idiosyncratically, and behavioral indications of conceptual implicit memory were evident only for stimuli given higher ratings. These effects did not result from perceptual-based fluency or from explicit remembering. Distinct event-related brain potentials were associated with conceptual implicit memory and with explicit memory by virtue of contrasts based on meaningfulness ratings and memory judgments, respectively. Frontal potentials from 300 to 500 msec after the onset of repeated squiggles varied systematically with perceived meaningfulness. Explicit memory was held constant in this contrast, so these potentials were taken as neural correlates of conceptual implicit memory. Such potentials can contaminate putative neural correlates of explicit memory, in that they are frequently attributed to the expression of explicit memory known as familiarity. These findings provide the first neural dissociation of these two memory phenomena during recognition testing and underscore the necessity of taking both types of memory into account in order to obtain valid neural correlates of specific memory functions. PMID:17412965

  12. Explicitly correlated composite thermochemistry of transition metal species

    NASA Astrophysics Data System (ADS)

    Bross, David H.; Hill, J. Grant; Werner, H.-J.; Peterson, Kirk A.

    2013-09-01

    Atomization energies were calculated using explicitly correlated coupled cluster methods with correlation consistent basis sets for a series of 19 small molecules containing 3d transition metal atoms. The atomization energies were calculated using a modified Feller-Peterson-Dixon approach in which CCSD(T) complete basis set (CBS) limits were obtained using extrapolations of aVTZ/aVQZ CCSD(T)-F12b correlation energies, and then a series of additive contributions for relativity, core correlation, higher order correlation, and zero-point vibrations were included. The frozen-core CBS limits calculated with F12 methods closely matched the more computational expensive conventional awCVQZ/awCV5Z CBS extrapolations, with a mean unsigned deviation of just 0.1 kcal/mol. In particular, the CCSD(T*)-F12b/aVDZ and aVTZ atomization energies were more accurate on average than the conventional CCSD(T)/aVQZ and aV5Z results, respectively. In several cases the effects of higher order correlation beyond CCSD(T), as judged by CCSDT and CCSDT(Q)Λ calculations, were greater than 1 kcal/mol, reaching 4.5 kcal/mol for CrO3. For the 16 molecules of this study with experimental uncertainties of ˜3.5 kcal/mol or less, the final composite heats of formation have a mean unsigned deviation (MUD) from experiment of just 1.3 kcal/mol, which is slightly smaller than the average of the experimental uncertainties, 1.8 kcal/mol. The root mean square deviation (RMS) is only slightly larger at 1.7 kcal/mol. Without the contributions due to higher order correlation effects, the MUD and RMS rise to 2.1 and 2.8 kcal/mol, respectively. To facilitate the F12 calculations, new (aug-)cc-pVnZ/MP2Fit (n = Q, 5) and (aug-)cc-pwCVTZ/MP2Fit auxiliary basis sets were also developed for the transition metal atoms.

  13. Explicitly correlated coupled-cluster theory with Brueckner orbitals

    NASA Astrophysics Data System (ADS)

    Tew, David P.

    2016-08-01

    Brueckner orbitals are the optimal orbitals for use in F12 explicitly correlated coupled-cluster (CC) treatments. A novel approach, Brueckner coupled-cluster doubles with perturbative triples BCCD(T)(F12*) is presented that avoids the expensive re-evaluation of F12 integrals throughout the orbital optimisation and includes a newly derived basis set correction to the Brueckner reference energy. The generalisation of F12 theory to arbitrary non-Hartree-Fock references and to Fock operators that include scalar relativistic effects is also presented. The performance of the new Brueckner F12 method is assessed for a test set of 50 open- and closed-shell reactions and for the ionisation potentials and electron affinities (EAs) of the first-row transition metal atoms. Benchmark basis set limit coupled-cluster singles, doubles and perturbative triples (CCSD(T)) and BCCD(T) values are reported for all energies in the test sets. BCCD(T)(F12*) performs systematically better than CCSD(T)(F12*) for electron affinities where orbital relaxation effects are significant.

  14. Prediction of {sup 1}P Rydberg energy levels of beryllium based on calculations with explicitly correlated Gaussians

    SciTech Connect

    Bubin, Sergiy; Adamowicz, Ludwik

    2014-01-14

    Benchmark variational calculations are performed for the seven lowest 1s{sup 2}2s np ({sup 1}P), n = 2…8, states of the beryllium atom. The calculations explicitly include the effect of finite mass of {sup 9}Be nucleus and account perturbatively for the mass-velocity, Darwin, and spin-spin relativistic corrections. The wave functions of the states are expanded in terms of all-electron explicitly correlated Gaussian functions. Basis sets of up to 12 500 optimized Gaussians are used. The maximum discrepancy between the calculated nonrelativistic and experimental energies of 1s{sup 2}2s np ({sup 1}P) →1s{sup 2}2s{sup 2} ({sup 1}S) transition is about 12 cm{sup −1}. The inclusion of the relativistic corrections reduces the discrepancy to bellow 0.8 cm{sup −1}.

  15. Accurate potential energy curve of the LiH{sup +} molecule calculated with explicitly correlated Gaussian functions

    SciTech Connect

    Tung, Wei-Cheng; Adamowicz, Ludwik

    2014-03-28

    Very accurate calculations of the ground-state potential energy curve (PEC) of the LiH{sup +} ion performed with all-electron explicitly correlated Gaussian functions with shifted centers are presented. The variational method is employed. The calculations involve optimization of nonlinear exponential parameters of the Gaussians performed with the aid of the analytical first derivatives of the energy determined with respect to the parameters. The diagonal adiabatic correction is also calculated for each PEC point. The PEC is then used to calculate the vibrational energies of the system. In that calculation, the non-adiabatic effects are accounted for by using an effective vibrational mass obtained by the minimization of the difference between the vibrational energies obtained from the calculations where the Born-Oppenheimer approximation was not assumed and the results of the present calculations.

  16. 4-Component correlated all-electron study on Eka-actinium Fluoride (E121F) including Gaunt interaction: Accurate analytical form, bonding and influence on rovibrational spectra

    NASA Astrophysics Data System (ADS)

    Amador, Davi H. T.; de Oliveira, Heibbe C. B.; Sambrano, Julio R.; Gargano, Ricardo; de Macedo, Luiz Guilherme M.

    2016-10-01

    A prolapse-free basis set for Eka-Actinium (E121, Z = 121), numerical atomic calculations on E121, spectroscopic constants and accurate analytical form for the potential energy curve of diatomic E121F obtained at 4-component all-electron CCSD(T) level including Gaunt interaction are presented. The results show a strong and polarized bond (≈181 kcal/mol in strength) between E121 and F, the outermost frontier molecular orbitals from E121F should be fairly similar to the ones from AcF and there is no evidence of break of periodic trends. Moreover, the Gaunt interaction, although small, is expected to influence considerably the overall rovibrational spectra.

  17. Neural Correlates of Explicit Social Judgments on Vocal Stimuli

    PubMed Central

    Hensel, Lukas; Bzdok, Danilo; Müller, Veronika I.; Zilles, Karl; Eickhoff, Simon B.

    2015-01-01

    Functional neuroimaging research on the neural basis of social evaluation has traditionally focused on face perception paradigms. Thus, little is known about the neurobiology of social evaluation processes based on auditory cues, such as voices. To investigate the top-down effects of social trait judgments on voices, hemodynamic responses of 44 healthy participants were measured during social trait (trustworthiness [TR] and attractiveness [AT]), emotional (happiness, HA), and cognitive (age, AG) voice judgments. Relative to HA and AG judgments, TR and AT judgments both engaged the bilateral inferior parietal cortex (IPC; area PGa) and the dorsomedial prefrontal cortex (dmPFC) extending into the perigenual anterior cingulate cortex. This dmPFC activation overlapped with previously reported areas specifically involved in social judgments on ‘faces.’ Moreover, social trait judgments were expected to share neural correlates with emotional HA and cognitive AG judgments. Comparison of effects pertaining to social, social–emotional, and social–cognitive appraisal processes revealed a dissociation of the left IPC into 3 functional subregions assigned to distinct cytoarchitectonic subdivisions. In total, the dmPFC is proposed to assume a central role in social attribution processes across sensory qualities. In social judgments on voices, IPC activity shifts from rostral processing of more emotional judgment facets to caudal processing of more cognitive judgment facets. PMID:24243619

  18. A FORTRAN Program for Correcting Correlation Coefficients for Restriction in Range for Explicit or Implicit Restriction.

    ERIC Educational Resources Information Center

    Lewis, Mary A.; Boone, James O.

    1979-01-01

    Restriction in range is a measurement problem frequently encountered in research studies that utilize correlation coefficients. A FORTRAN program is described that can compute the estimated unrestricted correlation coefficient in either the explicit or implicit case. The user selects the appropriate formula to be employed from five that are…

  19. Neural Correlates of Conceptual Implicit Memory and Their Contamination of Putative Neural Correlates of Explicit Memory

    ERIC Educational Resources Information Center

    Voss, Joel L.; Paller, Ken A.

    2007-01-01

    During episodic recognition tests, meaningful stimuli such as words can engender both conscious retrieval (explicit memory) and facilitated access to meaning that is distinct from the awareness of remembering (conceptual implicit memory). Neuroimaging investigations of one type of memory are frequently subject to the confounding influence of the…

  20. Implicit and explicit illusory correlation as a function of political ideology.

    PubMed

    Carraro, Luciana; Negri, Paolo; Castelli, Luigi; Pastore, Massimiliano

    2014-01-01

    Research has demonstrated that people who embrace different ideological orientations often show differences at the level of basic cognitive processes. For instance, conservatives (vs. liberals) display an automatic selective attention for negative (vs. positive) stimuli, and tend to more easily form illusory correlations between negative information and minority groups. In the present work, we further explored this latter effect by examining whether it only involves the formation of explicit attitudes or it extends to implicit attitudes. To this end, following the typical illusory correlation paradigm, participants were presented with members of two numerically different groups (majority and minority) each performing either a positive or negative behaviour. Negative behaviors were relatively infrequent, and the proportion of positive and negative behaviors within each group was the same. Next, explicit and implicit (i.e., IAT-measured) attitudes were assessed. Results showed that conservatives (vs. liberals) displayed stronger explicit as well as implicit illusory correlations effects, forming more negative attitudes toward the minority (vs. majority) group at both the explicit and implicit level.

  1. Implicit and Explicit Illusory Correlation as a Function of Political Ideology

    PubMed Central

    Carraro, Luciana; Negri, Paolo; Castelli, Luigi; Pastore, Massimiliano

    2014-01-01

    Research has demonstrated that people who embrace different ideological orientations often show differences at the level of basic cognitive processes. For instance, conservatives (vs. liberals) display an automatic selective attention for negative (vs. positive) stimuli, and tend to more easily form illusory correlations between negative information and minority groups. In the present work, we further explored this latter effect by examining whether it only involves the formation of explicit attitudes or it extends to implicit attitudes. To this end, following the typical illusory correlation paradigm, participants were presented with members of two numerically different groups (majority and minority) each performing either a positive or negative behaviour. Negative behaviors were relatively infrequent, and the proportion of positive and negative behaviors within each group was the same. Next, explicit and implicit (i.e., IAT-measured) attitudes were assessed. Results showed that conservatives (vs. liberals) displayed stronger explicit as well as implicit illusory correlations effects, forming more negative attitudes toward the minority (vs. majority) group at both the explicit and implicit level. PMID:24820311

  2. Implicit and explicit illusory correlation as a function of political ideology.

    PubMed

    Carraro, Luciana; Negri, Paolo; Castelli, Luigi; Pastore, Massimiliano

    2014-01-01

    Research has demonstrated that people who embrace different ideological orientations often show differences at the level of basic cognitive processes. For instance, conservatives (vs. liberals) display an automatic selective attention for negative (vs. positive) stimuli, and tend to more easily form illusory correlations between negative information and minority groups. In the present work, we further explored this latter effect by examining whether it only involves the formation of explicit attitudes or it extends to implicit attitudes. To this end, following the typical illusory correlation paradigm, participants were presented with members of two numerically different groups (majority and minority) each performing either a positive or negative behaviour. Negative behaviors were relatively infrequent, and the proportion of positive and negative behaviors within each group was the same. Next, explicit and implicit (i.e., IAT-measured) attitudes were assessed. Results showed that conservatives (vs. liberals) displayed stronger explicit as well as implicit illusory correlations effects, forming more negative attitudes toward the minority (vs. majority) group at both the explicit and implicit level. PMID:24820311

  3. Multi-configurational explicitly correlated wave functions for the study of confined many electron atoms

    NASA Astrophysics Data System (ADS)

    Sarsa, A.; Buendía, E.; Gálvez, F. J.

    2016-07-01

    Explicitly correlated wave functions to study confined atoms under impenetrable spherical walls have been obtained. Configuration mixing and a correlation factor are included in the variational ansatz. The behaviors of the ground state and some low-lying excited states of He, Be, B and C atoms with the confinement size are analyzed. Level crossing with confinement is found for some cases. This effect is analyzed in terms of the single particle energy of the occupied orbitals. The multi-configuration parameterized optimized effective potential method is employed with a cut-off factor to account for Dirichlet boundary conditions. The variational Monte Carlo method is used to deal with explicitly correlated wave functions.

  4. Assessment of multireference approaches to explicitly correlated full configuration interaction quantum Monte Carlo.

    PubMed

    Kersten, J A F; Booth, George H; Alavi, Ali

    2016-08-01

    The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schrödinger equation within a finite orbital basis set, without relying on an expansion about a reference state. However, a drawback to the approach is that being based on an expansion of Slater determinants, the FCIQMC method suffers from a basis set incompleteness error that decays very slowly with the size of the employed single particle basis. The FCIQMC results obtained in a small basis set can be improved significantly with explicitly correlated techniques. Here, we present a study that assesses and compares two contrasting "universal" explicitly correlated approaches that fit into the FCIQMC framework: the [2]R12 method of Kong and Valeev [J. Chem. Phys. 135, 214105 (2011)] and the explicitly correlated canonical transcorrelation approach of Yanai and Shiozaki [J. Chem. Phys. 136, 084107 (2012)]. The former is an a posteriori internally contracted perturbative approach, while the latter transforms the Hamiltonian prior to the FCIQMC simulation. These comparisons are made across the 55 molecules of the G1 standard set. We found that both methods consistently reduce the basis set incompleteness, for accurate atomization energies in small basis sets, reducing the error from 28 mEh to 3-4 mEh. While many of the conclusions hold in general for any combination of multireference approaches with these methodologies, we also consider FCIQMC-specific advantages of each approach. PMID:27497549

  5. Assessment of multireference approaches to explicitly correlated full configuration interaction quantum Monte Carlo

    NASA Astrophysics Data System (ADS)

    Kersten, J. A. F.; Booth, George H.; Alavi, Ali

    2016-08-01

    The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schrödinger equation within a finite orbital basis set, without relying on an expansion about a reference state. However, a drawback to the approach is that being based on an expansion of Slater determinants, the FCIQMC method suffers from a basis set incompleteness error that decays very slowly with the size of the employed single particle basis. The FCIQMC results obtained in a small basis set can be improved significantly with explicitly correlated techniques. Here, we present a study that assesses and compares two contrasting "universal" explicitly correlated approaches that fit into the FCIQMC framework: the [2]R12 method of Kong and Valeev [J. Chem. Phys. 135, 214105 (2011)] and the explicitly correlated canonical transcorrelation approach of Yanai and Shiozaki [J. Chem. Phys. 136, 084107 (2012)]. The former is an a posteriori internally contracted perturbative approach, while the latter transforms the Hamiltonian prior to the FCIQMC simulation. These comparisons are made across the 55 molecules of the G1 standard set. We found that both methods consistently reduce the basis set incompleteness, for accurate atomization energies in small basis sets, reducing the error from 28 mEh to 3-4 mEh. While many of the conclusions hold in general for any combination of multireference approaches with these methodologies, we also consider FCIQMC-specific advantages of each approach.

  6. Communication: Stochastic evaluation of explicitly correlated second-order many-body perturbation energy

    SciTech Connect

    Willow, Soohaeng Yoo; Zhang, Jinmei; Valeev, Edward F.; Hirata, So

    2014-01-21

    A stochastic algorithm is proposed that can compute the basis-set-incompleteness correction to the second-order many-body perturbation (MP2) energy of a polyatomic molecule. It evaluates the sum of two-, three-, and four-electron integrals over an explicit function of electron-electron distances by a Monte Carlo (MC) integration at an operation cost per MC step increasing only quadratically with size. The method can reproduce the corrections to the MP2/cc-pVTZ energies of H{sub 2}O, CH{sub 4}, and C{sub 6}H{sub 6} within a few mE{sub h} after several million MC steps. It circumvents the resolution-of-the-identity approximation to the nonfactorable three-electron integrals usually necessary in the conventional explicitly correlated (R12 or F12) methods.

  7. Explicitly correlated coupled-cluster theory using cusp conditions. II. Treatment of connected triple excitations

    NASA Astrophysics Data System (ADS)

    Köhn, Andreas

    2010-11-01

    The coupled-cluster singles and doubles method augmented with single Slater-type correlation factors (CCSD-F12) determined by the cusp conditions (also denoted as SP ansatz) yields results close to the basis set limit with only small overhead compared to conventional CCSD. Quantitative calculations on many-electron systems, however, require to include the effect of connected triple excitations at least. In this contribution, the recently proposed [A. Köhn, J. Chem. Phys. 130, 131101 (2009)] extended SP ansatz and its application to the noniterative triples correction CCSD(T) is reviewed. The approach allows to include explicit correlation into connected triple excitations without introducing additional unknown parameters. The explicit expressions are presented and analyzed, and possible simplifications to arrive at a computationally efficient scheme are suggested. Numerical tests based on an implementation obtained by an automated approach are presented. Using a partial wave expansion for the neon atom, we can show that the proposed ansatz indeed leads to the expected (Lmax+1)-7 convergence of the noniterative triples correction, where Lmax is the maximum angular momentum in the orbital expansion. Further results are reported for a test set of 29 molecules, employing Peterson's F12-optimized basis sets. We find that the customary approach of using the conventional noniterative triples correction on top of a CCSD-F12 calculation leads to significant basis set errors. This, however, is not always directly visible for total CCSD(T) energies due to fortuitous error compensation. The new approach offers a thoroughly explicitly correlated CCSD(T)-F12 method with improved basis set convergence of the triples contributions to both total and relative energies.

  8. Applications of the explicitly correlated Gaussian approach to cold few-atom systems

    NASA Astrophysics Data System (ADS)

    Blume, D.

    2015-03-01

    The explicitly correlated Gaussian basis set expansion approach has been applied to a wide range of few-body systems relevant to particle, nuclear, atomic and molecular physics. This talk summarizes our theoretical investigations of universal aspects of ultracold gaseous and liquid few-atom systems using explicitly correlated Gaussians. In the ultracold regime, where the de Broglie wave length is large compared to the range of the interaction potentials, the collisions between particles become so slow that the details of the interactions are, to leading order, neglegible. In this regime, the dynamics of few-atom systems is governed by just a few ``effective parameters,'' such as the s-wave scattering length, and largely independent of the details of the underlying two-body potentials. As a first example, we present results for harmonically trapped few-fermion systems with infinitely large interspecies s-wave scattering length consisting of up to ten particles. As a second example, we investigate the behavior of weakly-bound Bose droplets with a light impurity and elucidate how the properties of these droplets are related to the three-body Efimov effect in heavy-heavy-light trimers. Supported by the NSF.

  9. Complex explicitly correlated Gaussians for non-Born-Oppenheimer calculations of small molecules

    NASA Astrophysics Data System (ADS)

    Bubin, Sergiy; Adamowicz, Ludwik

    Non-Born-Oppenheimer calculations of molecular systems, where all particles are properly treated on an equal footing, represents a big challenge for the theory. Due to the huge difference in the masses of the electrons and nuclei the latter move more slowly and their correlation functions have distinct localization around the equilibrium internuclear separations. This feature is hard to implement in explicitly correlated variational approaches with Gaussian type basis functions while maintaining an analytic integrability of all necessary matrix elements. In this work we demonstrate that the difficulties can be overcome by using complex Gaussians. In our benchmark calculations on HD+ molecular ion we have achieved excellent performance of this simple complex basis set that is on par or better than what was seen in previous Non-BO calculations of small diatomic molecules. This work has been supported by the Ministry of Education and Science of Kazakhstan.

  10. Explicitly correlated atomic orbital basis second order Møller-Plesset theory.

    PubMed

    Hollman, David S; Wilke, Jeremiah J; Schaefer, Henry F

    2013-02-14

    The scope of problems treatable by ab initio wavefunction methods has expanded greatly through the application of local approximations. In particular, atomic orbital (AO) based wavefunction methods have emerged as powerful techniques for exploiting sparsity and have been applied to biomolecules as large as 1707 atoms [S. A. Maurer, D. S. Lambrecht, D. Flaig, and C. Ochsenfeld, J. Chem. Phys. 136, 144107 (2012)]. Correlated wavefunction methods, however, converge notoriously slowly to the basis set limit and, excepting the use of large basis sets, will suffer from a severe basis set incompleteness error (BSIE). The use of larger basis sets is prohibitively expensive for AO basis methods since, for example, second-order Møller-Plesset perturbation theory (MP2) scales linearly with the number of atoms, but still scales as O(N(5)) in the number of functions per atom. Explicitly correlated F12 methods have been shown to drastically reduce BSIE for even modestly sized basis sets. In this work, we therefore explore an atomic orbital based formulation of explicitly correlated MP2-F12 theory. We present working equations for the new method, which produce results identical to the widely used molecular orbital (MO) version of MP2-F12 without resorting to a delocalized MO basis. We conclude with a discussion of several possible approaches to a priori screening of contraction terms in our method and the prospects for a linear scaling implementation of AO-MP2-F12. The discussion includes concrete examples involving noble gas dimers and linear alkane chains.

  11. Density fitting for three-electron integrals in explicitly correlated electronic structure theory

    SciTech Connect

    Womack, James C.; Manby, Frederick R.

    2014-01-28

    The principal challenge in using explicitly correlated wavefunctions for molecules is the evaluation of nonfactorizable integrals over the coordinates of three or more electrons. Immense progress was made in tackling this problem through the introduction of a single-particle resolution of the identity. Decompositions of sufficient accuracy can be achieved, but only with large auxiliary basis sets. Density fitting is an alternative integral approximation scheme, which has proven to be very reliable for two-electron integrals. Here, we extend density fitting to the treatment of all three-electron integrals that appear at the MP2-F12/3*A level of theory. We demonstrate that the convergence of energies with respect to auxiliary basis size is much more rapid with density fitting than with the traditional resolution-of-the-identity approach.

  12. Auxiliary Basis Sets for Density Fitting in Explicitly Correlated Calculations: The Atoms H-Ar.

    PubMed

    Kritikou, Stella; Hill, J Grant

    2015-11-10

    Auxiliary basis sets specifically matched to the correlation consistent cc-pVnZ-F12 and cc-pCVnZ-F12 orbital basis sets for the elements H-Ar have been optimized at the density-fitted second-order Møller-Plesset perturbation theory level of theory for use in explicitly correlated (F12) methods, which utilize density fitting for the evaluation of two-electron integrals. Calculations of the correlation energy for a test set of small to medium sized molecules indicate that the density fitting error when using these auxiliary sets is 2 to 3 orders of magnitude smaller than the F12 orbital basis set incompleteness error. The error introduced by the use of these fitting sets within the resolution-of-the-identity approximation of the many-electron integrals arising in F12 theory has also been assessed and is demonstrated to be negligible and well-controlled. General guidelines are proposed for the optimization of density fitting auxiliary basis sets for use with F12 methods for other elements.

  13. Linear-scaling explicitly correlated treatment of solids: Periodic local MP2-F12 method

    SciTech Connect

    Usvyat, Denis

    2013-11-21

    Theory and implementation of the periodic local MP2-F12 method in the 3*A fixed-amplitude ansatz is presented. The method is formulated in the direct space, employing local representation for the occupied, virtual, and auxiliary orbitals in the form of Wannier functions (WFs), projected atomic orbitals (PAOs), and atom-centered Gaussian-type orbitals, respectively. Local approximations are introduced, restricting the list of the explicitly correlated pairs, as well as occupied, virtual, and auxiliary spaces in the strong orthogonality projector to the pair-specific domains on the basis of spatial proximity of respective orbitals. The 4-index two-electron integrals appearing in the formalism are approximated via the direct-space density fitting technique. In this procedure, the fitting orbital spaces are also restricted to local fit-domains surrounding the fitted densities. The formulation of the method and its implementation exploits the translational symmetry and the site-group symmetries of the WFs. Test calculations are performed on LiH crystal. The results show that the periodic LMP2-F12 method substantially accelerates basis set convergence of the total correlation energy, and even more so the correlation energy differences. The resulting energies are quite insensitive to the resolution-of-the-identity domain sizes and the quality of the auxiliary basis sets. The convergence with the orbital domain size is somewhat slower, but still acceptable. Moreover, inclusion of slightly more diffuse functions, than those usually used in the periodic calculations, improves the convergence of the LMP2-F12 correlation energy with respect to both the size of the PAO-domains and the quality of the orbital basis set. At the same time, the essentially diffuse atomic orbitals from standard molecular basis sets, commonly utilized in molecular MP2-F12 calculations, but problematic in the periodic context, are not necessary for LMP2-F12 treatment of crystals.

  14. Fuselage Versus Subcomponent Panel Response Correlation Based on ABAQUS Explicit Progressive Damage Analysis Tools

    NASA Technical Reports Server (NTRS)

    Gould, Kevin E.; Satyanarayana, Arunkumar; Bogert, Philip B.

    2016-01-01

    Analysis performed in this study substantiates the need for high fidelity vehicle level progressive damage analyses (PDA) structural models for use in the verification and validation of proposed sub-scale structural models and to support required full-scale vehicle level testing. PDA results are presented that capture and correlate the responses of sub-scale 3-stringer and 7-stringer panel models and an idealized 8-ft diameter fuselage model, which provides a vehicle level environment for the 7-stringer sub-scale panel model. Two unique skin-stringer attachment assumptions are considered and correlated in the models analyzed: the TIE constraint interface versus the cohesive element (COH3D8) interface. Evaluating different interfaces allows for assessing a range of predicted damage modes, including delamination and crack propagation responses. Damage models considered in this study are the ABAQUS built-in Hashin procedure and the COmplete STress Reduction (COSTR) damage procedure implemented through a VUMAT user subroutine using the ABAQUS/Explicit code.

  15. Explicit correlation treatment of the potential energy surface of CO{sub 2} dimer

    SciTech Connect

    Kalugina, Yulia N.; Buryak, Ilya A.; Ajili, Yosra; Vigasin, Andrei A.; Jaidane, Nejm Eddine; Hochlaf, Majdi

    2014-06-21

    We present an extensive study of the four-dimensional potential energy surface (4D-PES) of the carbon dioxide dimer, (CO{sub 2}){sub 2}. This PES is developed over the set of intermolecular coordinates. The electronic computations are carried out at the explicitly correlated coupled cluster method with single, double, and perturbative triple excitations [CCSD(T)-F12] level of theory in connection with the augmented correlation-consistent aug-cc-pVTZ basis set. An analytic representation of the 4D-PES is derived. Our extensive calculations confirm that “Slipped Parallel” is the most stable form and that the T-shaped structure corresponds to a transition state. Later on, this PES is employed for the calculations of the vibrational energy levels of the dimer. Moreover, the temperature dependence of the dimer second virial coefficient and of the first spectral moment of rototranslational collision-induced absorption spectrum is derived. For both quantities, a good agreement is found between our values and the experimental data for a wide range of temperatures. This attests to the high quality of our PES. Generally, our PES and results can be used for modeling CO{sub 2} supercritical fluidity and examination of its role in planetary atmospheres. It can be also incorporated into dynamical computations of CO{sub 2} capture and sequestration. This allows deep understanding, at the microscopic level, of these processes.

  16. H2SOLV: Fortran solver for diatomic molecules in explicitly correlated exponential basis

    NASA Astrophysics Data System (ADS)

    Pachucki, K.; Zientkiewicz, M.; Yerokhin, V. A.

    2016-11-01

    We present the Fortran package H2SOLV for an efficient computation of the nonrelativistic energy levels and the wave functions of diatomic two-electron molecules within the Born-Oppenheimer approximation. The wave function is obtained as a linear combination of the explicitly correlated exponential (Kołos-Wolniewicz) functions. The computations of H2SOLV are performed within the arbitrary-precision arithmetics, where the number of working digits can be adjusted by the user. The key part of H2SOLV is the implementation of the algorithm of an efficient computation of the two-center two-electron integrals for arbitrary values of internuclear distances developed by one of us (Pachucki, 2013). This have been one of the long-standing problems of quantum chemistry. The code is parallelized, suitable for large-scale computations limited only by the computer resources available and can produce highly accurate results. As an example, we report several benchmark results obtained with H2SOLV, including the energy value accurate to 18 decimal digits.

  17. How competitive are expansions in orbital products with explicitly correlated expansions

    NASA Astrophysics Data System (ADS)

    Szalewicz, Krzysztof

    Helium dimer potential is of great importance for metrology since several future measurement standards will be based on helium gas. Such potential can be used to predict all thermodynamic properties of diffuse helium gas (nonadditive three-body potential is needed for higher densities). The accuracy required by these standards is so high, that in the past work of our group we had to include nonadiabatic, relativistic, and quantum electrodynamics effects. The current state is that the largest contribution to the uncertainty of the helium dimer potential is due to the Born-Oppenheimer (BO) part of this potential. This uncertainty was reduced and became comparable to other uncertainties in the new calculations that will be presented. These calculations used explicitly correlated Gaussian (ECG) basis sets and represent nearly exact solutions of the Schrödinger equation in the BO approximation. Similar calculations were also performed in orbital basis sets using a multilevel approach up to the full configuration interactions level. Largest existing basis sets were used at each level so that our calculations represent the best results that can currently be obtained using orbitals. These results will be critically compared with those obtained using ECG bases.

  18. The Neural Correlates of Implicit and Explicit Sequence Learning: Interacting Networks Revealed by the Process Dissociation Procedure

    ERIC Educational Resources Information Center

    Laureys, Steven; Degueldre, Christian; Del Fiore, Guy; Aerts, Joel; Luxen, Andre; Van Der Linden, Martial; Cleeremans, Axel; Maquet, Pierre; Destrebecqz, Arnaud; Peigneux, Philippe

    2005-01-01

    In two H[subscript 2] [superscript 15]O PET scan experiments, we investigated the cerebral correlates of explicit and implicit knowledge in a serial reaction time (SRT) task. To do so, we used a novel application of the Process Dissociation Procedure, a behavioral paradigm that makes it possible to separately assess conscious and unconscious…

  19. Does the amygdala response correlate with the personality trait ‘harm avoidance’ while evaluating emotional stimuli explicitly?

    PubMed Central

    2014-01-01

    Background The affective personality trait ‘harm avoidance’ (HA) from Cloninger’s psychobiological personality model determines how an individual deals with emotional stimuli. Emotional stimuli are processed by a neural network that include the left and right amygdalae as important key nodes. Explicit, implicit and passive processing of affective stimuli are known to activate the amygdalae differently reflecting differences in attention, level of detailed analysis of the stimuli and the cognitive control needed to perform the required task. Previous studies revealed that implicit processing or passive viewing of affective stimuli, induce a left amygdala response that correlates with HA. In this new study we have tried to extend these findings to the situation in which the subjects were required to explicitly process emotional stimuli. Methods A group of healthy female participants was asked to rate the valence of positive and negative stimuli while undergoing fMRI. Afterwards the neural responses of the participants to the positive and to the negative stimuli were separately correlated to their HA scores and compared between the low and high HA participants. Results Both analyses revealed increased neural activity in the left laterobasal (LB) amygdala of the high HA participants while they were rating the positive and the negative stimuli. Conclusions Our results indicate that the left amygdala response to explicit processing of affective stimuli does correlate with HA. PMID:24884791

  20. Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

    SciTech Connect

    Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon

    2015-06-07

    The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF{sup −} and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN{sup +}, and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects.

  1. Application of the explicitly correlated coupled-cluster models CCSD(F12*) and CC3(F12*) to the hyperpolarizability of the Ne atom

    SciTech Connect

    Hanauer, Matthias; Köhn, Andreas

    2015-01-22

    This work demonstrates the performance of the recently proposed explicitly correlated coupled-cluster method CCSD(F12*) and a new method using explicitly correlated triple excitations, CC3(F12*), in the calculation of the static ESHG hyperpolarizability of the Ne atom.

  2. Algorithms for calculating mass-velocity and Darwin relativistic corrections with n-electron explicitly correlated Gaussians with shifted centers

    NASA Astrophysics Data System (ADS)

    Stanke, Monika; Palikot, Ewa; Adamowicz, Ludwik

    2016-05-01

    Algorithms for calculating the leading mass-velocity (MV) and Darwin (D) relativistic corrections are derived for electronic wave functions expanded in terms of n-electron explicitly correlated Gaussian functions with shifted centers and without pre-exponential angular factors. The algorithms are implemented and tested in calculations of MV and D corrections for several points on the ground-state potential energy curves of the H2 and LiH molecules. The algorithms are general and can be applied in calculations of systems with an arbitrary number of electrons.

  3. Correlation consistent basis sets for explicitly correlated wavefunctions: Pseudopotential-based basis sets for the post-d main group elements Ga–Rn

    SciTech Connect

    Hill, J. Grant E-mail: kipeters@wsu.edu; Peterson, Kirk A. E-mail: kipeters@wsu.edu

    2014-09-07

    New correlation consistent basis sets, cc-pVnZ-PP-F12 (n = D, T, Q), for all the post-d main group elements Ga–Rn have been optimized for use in explicitly correlated F12 calculations. The new sets, which include not only orbital basis sets but also the matching auxiliary sets required for density fitting both conventional and F12 integrals, are designed for correlation of valence sp, as well as the outer-core d electrons. The basis sets are constructed for use with the previously published small-core relativistic pseudopotentials of the Stuttgart-Cologne variety. Benchmark explicitly correlated coupled-cluster singles and doubles with perturbative triples [CCSD(T)-F12b] calculations of the spectroscopic properties of numerous diatomic molecules involving 4p, 5p, and 6p elements have been carried out and compared to the analogous conventional CCSD(T) results. In general the F12 results obtained with a n-zeta F12 basis set were comparable to conventional aug-cc-pVxZ-PP or aug-cc-pwCVxZ-PP basis set calculations obtained with x = n + 1 or even x = n + 2. The new sets used in CCSD(T)-F12b calculations are particularly efficient at accurately recovering the large correlation effects of the outer-core d electrons.

  4. Undergraduates' Ability to Recognize Correlational and Causal Language before and after Explicit Instruction

    ERIC Educational Resources Information Center

    Mueller, Jon F.; Coon, Heather M.

    2013-01-01

    The ability to distinguish between correlational and causal claims is core knowledge for scientific literacy. News reports of scientific research prominently feature these claims. Thus, this knowledge has significant real-world application, and distinguishing among claims is critical to making sense of the reported research. We constructed an…

  5. Rigorous non-Born-Oppenheimer theory: combination of explicitly correlated Gaussian method and nuclear orbital plus molecular orbital theory.

    PubMed

    Hoshino, Minoru; Nishizawa, Hiroaki; Nakai, Hiromi

    2011-07-14

    The present study proposes a rigorous non-Born-Oppenheimer theory combining between the explicitly correlated Gaussian (ECG) method and the nuclear orbital plus molecular orbital (NOMO) method. The new method, called ECG-NOMO, adopts the ECG functions between the electronic and nuclear coordinates and, therefore, is capable of describing the nucleus-electron correlation effect accurately. The basic formalism of the ECG-NOMO method is close to the NOMO method, which starts with the Hartree-Fock type equations for NOs and MOs. The present method requires more computational cost than the original NOMO method. However, its cost is significantly smaller than that of the ECG method. The numerical tests was performed for hydrogen-like atoms (H-Ne(9+)) and dihydrogen cations (H(2)(+), D(2)(+) and T(2)(+)), and clarified that the ECG-NOMO method shows the sufficient accuracy. PMID:21766929

  6. Prediction of {sup 2}D Rydberg energy levels of {sup 6}Li and {sup 7}Li based on very accurate quantum mechanical calculations performed with explicitly correlated Gaussian functions

    SciTech Connect

    Bubin, Sergiy; Sharkey, Keeper L.; Adamowicz, Ludwik

    2013-04-28

    Very accurate variational nonrelativistic finite-nuclear-mass calculations employing all-electron explicitly correlated Gaussian basis functions are carried out for six Rydberg {sup 2}D states (1s{sup 2}nd, n= 6, Horizontal-Ellipsis , 11) of the {sup 7}Li and {sup 6}Li isotopes. The exponential parameters of the Gaussian functions are optimized using the variational method with the aid of the analytical energy gradient determined with respect to these parameters. The experimental results for the lower states (n= 3, Horizontal-Ellipsis , 6) and the calculated results for the higher states (n= 7, Horizontal-Ellipsis , 11) fitted with quantum-defect-like formulas are used to predict the energies of {sup 2}D 1s{sup 2}nd states for {sup 7}Li and {sup 6}Li with n up to 30.

  7. Variational formulation of perturbative explicitly-correlated coupled-cluster methods.

    PubMed

    Torheyden, Martin; Valeev, Edward F

    2008-06-21

    We present a variational formulation of the recently-proposed CCSD(2)(R12) method [Valeev, Phys. Chem. Chem. Phys., 2008, 10, 106]. The centerpiece of this approach is the CCSD(2)(R12) Lagrangian obtained via Löwdin partitioning of the coupled-cluster singles and doubles (CCSD) Hamiltonian. Extremization of the Lagrangian yields the second-order basis set incompleteness correction for the CCSD energy. We also developed a simpler Hylleraas-type functional that only depends on one set of geminal amplitudes by applying screening approximations. This functional is used to develop a diagonal orbital-invariant version of the method in which the geminal amplitudes are fixed at the values determined by the first-order cusp conditions. Extension of the variational method to include perturbatively the effect of connected triples produces the method that approximates the complete basis-set limit of the standard CCSD plus perturbative triples [CCSD(T)] method. For a set of 20 small closed-shell molecules, the method recovered at least 94.5/97.3% of the CBS CCSD(T) correlation energy with the aug-cc-pVDZ/aug-cc-pVTZ orbital basis set. For 12 isogyric reactions involving these molecules, combining the aug-cc-pVTZ correlation energies with the aug-cc-pVQZ Hartree-Fock energies produces the electronic reaction energies with a mean absolute deviation of 1.4 kJ mol(-1) from the experimental values. The method has the same number of optimized parameters as the corresponding CCSD(T) model, does not require any modification of the coupled-cluster computer program, and only needs a small triple-zeta basis to match the precision of the considerably more expensive standard quintuple-zeta CCSD(T) computation.

  8. Charge asymmetry in rovibrationally excited HD{sup +} determined using explicitly correlated all-particle Gaussian functions

    SciTech Connect

    Kirnosov, Nikita; Sharkey, Keeper L.; Adamowicz, Ludwik

    2013-11-28

    Very accurate non-Born-Oppenheimer quantum-mechanical calculations are performed to determine the average values of the interparticle distances and the proton-deuteron density function for the rovibrationally excited HD{sup +} ion. The states corresponding to excitations to all bound vibrational states (v = 0, …, 22) and simultaneously excited to the first excited rotational state (N = 1) are considered. To describe each state up to 8000 explicitly correlated all-particle Gaussian functions are used. The nonlinear parameters of the Gaussians are variationally optimized using a procedure that employs the analytical energy gradient determined with respect to these parameters. The results show an increasing asymmetry in the electron distribution with the vibrational excitation as the electron density shifts towards deuteron and away from the proton.

  9. Explicitly correlated Gaussian basis set expansion approach for few-body systems with spin-orbit coupling

    NASA Astrophysics Data System (ADS)

    Guan, Qingze; Blume, Doerte

    2016-05-01

    The explicit correlated Gaussian (ECG) basis set expansion approach is a variational approach that has been used in various areas, including molecular, nuclear, atomic, and chemical physics. In the world of cold atoms, e.g., the ECG approach has been used to calculate the eigenenergies and eigenstates of few-body systems governed by Efimov physics. Since the first experimental realization of synthesized gauge fields, few-body systems with spin-orbit coupling have attracted a great deal of attention. Here, the ECG approach is customized to few-body systems with both short-range interactions and spin-orbit couplings. Benchmark tests and a performance analysis will be presented. Support by the NSF is gratefully acknowledged.

  10. Explicit correlation model of multi-source constraints for Re-design parts with complex curved surface

    NASA Astrophysics Data System (ADS)

    Jia, Zhenyuan; Wang, Fuji; Wang, Yongqing; Guo, Dongming

    2014-03-01

    In precision machining of complex curved surface parts with high performance, geometry accuracy is not the only constraint, but the performance should also be met. Performance of this kind of parts is closely related to the geometrical and physical parameters, so the final actual size and shape are affected by multiple source constraints, such as geometry, physics, and performance. These parts are rather difficult to be manufactured and new manufacturing method according to performance requirement is urgently needed. Based on performance and manufacturing requirements for complex curved surface parts, a new classification method is proposed, which divided the complex curved surface parts into two categories: surface re-design complex curved surface parts with multi-source constraints(PRCS) and surface unique complex curved surface parts with pure geometric constraints(PUCS). A correlation model is constructed between the performance and multi-source constraints for PRCS, which reveals the correlation between the performance and multi-source constraints. A re-design method is also developed. Through solving the correlation model of the typical part's performance-associated surface, the mapping relation between the performance-associated surface and the related removal amount is obtained. The explicit correlation model and the method for the corresponding related removal amount of the performance-associated surface are built based on the classification of surface re-design complex curved surface parts with multi-source constraints. Research results have been used in the actual processing of the typical parts such as radome, common bottom components, nozzle, et al., which shows improved efficiency and accuracy of the precision machining for the surface re-design parts with complex curved surface.

  11. Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context.

    PubMed

    Wang, Yang Min; Hättig, Christof; Reine, Simen; Valeev, Edward; Kjærgaard, Thomas; Kristensen, Kasper

    2016-05-28

    We present the DEC-RIMP2-F12 method where we have augmented the Divide Expand-Consolidate resolution-of-the-identity second-order Møller-Plesset perturbation theory method (DEC-RIMP2) [P. Baudin et al., J. Chem. Phys. 144, 054102 (2016)] with an explicitly correlated (F12) correction. The new method is linear-scaling, massively parallel, and it corrects for the basis set incompleteness error in an efficient manner. In addition, we observe that the F12 contribution decreases the domain error of the DEC-RIMP2 correlation energy by roughly an order of magnitude. An important feature of the DEC scheme is the inherent error control defined by a single parameter, and this feature is also retained for the DEC-RIMP2-F12 method. In this paper we present the working equations for the DEC-RIMP2-F12 method and proof of concept numerical results for a set of test molecules. PMID:27250284

  12. Explicitly correlated second-order Møller-Plesset perturbation theory in a Divide-Expand-Consolidate (DEC) context

    NASA Astrophysics Data System (ADS)

    Wang, Yang Min; Hättig, Christof; Reine, Simen; Valeev, Edward; Kjærgaard, Thomas; Kristensen, Kasper

    2016-05-01

    We present the DEC-RIMP2-F12 method where we have augmented the Divide Expand-Consolidate resolution-of-the-identity second-order Møller-Plesset perturbation theory method (DEC-RIMP2) [P. Baudin et al., J. Chem. Phys. 144, 054102 (2016)] with an explicitly correlated (F12) correction. The new method is linear-scaling, massively parallel, and it corrects for the basis set incompleteness error in an efficient manner. In addition, we observe that the F12 contribution decreases the domain error of the DEC-RIMP2 correlation energy by roughly an order of magnitude. An important feature of the DEC scheme is the inherent error control defined by a single parameter, and this feature is also retained for the DEC-RIMP2-F12 method. In this paper we present the working equations for the DEC-RIMP2-F12 method and proof of concept numerical results for a set of test molecules.

  13. Development and Application of Explicitly Correlated Wave Function Based Methods for the Investigation of Optical Properties of Semiconductor Nanomaterials

    NASA Astrophysics Data System (ADS)

    Elward, Jennifer Mary

    Semiconductor nanoparticles, or quantum dots (QDs), are well known to have very unique optical and electronic properties. These properties can be controlled and tailored as a function of several influential factors, including but not limited to the particle size and shape, effect of composition and heterojunction as well as the effect of ligand on the particle surface. This customizable nature leads to extensive experimental and theoretical research on the capabilities of these quantum dots for many application purposes. However, in order to be able to understand and thus further the development of these materials, one must first understand the fundamental interaction within these nanoparticles. In this thesis, I have developed a theoretical method which is called electron-hole explicitly correlated Hartee-Fock (eh-XCHF). It is a variational method for solving the electron-hole Schrodinger equation and has been used in this work to study electron-hole interaction in semiconductor quantum dots. The method was benchmarked with respect to a parabolic quantum dot system, and ground state energy and electron-hole recombination probability were computed. Both of these properties were found to be in good agreement with expected results. Upon successful benchmarking, I have applied the eh-XCHF method to study optical properties of several quantum dot systems including the effect of dot size on exciton binding energy and recombination probability in a CdSe quantum dot, the effect of shape on a CdSe quantum dot, the effect of heterojunction on a CdSe/ZnS quantum dot and the effect of quantum dot-biomolecule interaction within a CdSe-firefly Luciferase protein conjugate system. As metrics for assessing the effect of these influencers on the electron-hole interaction, the exciton binding energy, electron-hole recombination probability and the average electron-hole separation distance have been computed. These excitonic properties have been found to be strongly infuenced by the

  14. What Are the Ground State Structures of C20 and C24? An Explicitly Correlated Ab Initio Approach.

    PubMed

    Manna, Debashree; Martin, Jan M L

    2016-01-14

    A new benchmark study has been performed for six isomers of C20 and four isomers of C24 using explicitly correlated methods, together with coupled cluster theory with large basis sets and DFT with advanced functionals. The relative energy trends obtained are extremely sensitive to the methods used. Combining our best CCSD(T)-MP2 difference with our best MP2 basis set limit, the dehydrocorannulene bowl is found to be the most stable for C20, followed by the cage at about 8 kcal/mol, and the ring at about 46 kcal/mol. For C24, the D3d cage is found to be the most stable isomer, followed at only a few kilocalories per mole by dehydrocoronene, and at larger separations by then octahedral cage and the ring, respectively. This makes C24 the smallest classical fullerene. The estimated residual basis set error of the estimated CCSD(T) basis set limit is conservatively expected to be ±1 kcal/mol. In general, DFT exhibits large errors for relative energies with RMSD values in the 8-34 kcal/mol range. However, among the DFT functionals, the DSD-PBEP86-D3BJ double hybrid comes close to our best ab initio results, while the ωB97X-V range-separated hybrid is in semiquantitative agreement. PMID:26654916

  15. Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements.

    PubMed

    Höfener, Sebastian; Bischoff, Florian A; Glöss, Andreas; Klopper, Wim

    2008-06-21

    In the recent years, Slater-type geminals (STGs) have been used with great success to expand the first-order wave function in an explicitly-correlated perturbation theory. The present work reports on this theory's implementation in the framework of the Turbomole suite of programs. A formalism is presented for evaluating all of the necessary molecular two-electron integrals by means of the Obara-Saika recurrence relations, which can be applied when the STG is expressed as a linear combination of a small number (n) of Gaussians (STG-nG geminal basis). In the Turbomole implementation of the theory, density fitting is employed and a complementary auxiliary basis set (CABS) is used for the resolution-of-the-identity (RI) approximation of explicitly-correlated theory. By virtue of this RI approximation, the calculation of molecular three- and four-electron integrals is avoided. An approximation is invoked to avoid the two-electron integrals over the commutator between the operators of kinetic energy and the STG. This approximation consists of computing commutators between matrices in place of operators. Integrals over commutators between operators would have occurred if the theory had been formulated and implemented as proposed originally. The new implementation in Turbomole was tested by performing a series of calculations on rotational conformers of the alkanols n-propanol through n-pentanol. Basis-set requirements concerning the orbital basis, the auxiliary basis set for density fitting and the CABS were investigated. Furthermore, various (constrained) optimizations of the amplitudes of the explicitly-correlated double excitations were studied. These amplitudes can be optimized in orbital-variant and orbital-invariant manners, or they can be kept fixed at the values governed by the rational generator approach, that is, by the electron cusp conditions. Electron-correlation effects beyond the level of second-order perturbation theory were accounted for by conventional

  16. Explicit Electron Correlation by a Combined Use of Gaussian-Type Orbitals and Gaussian-Type Geminals

    NASA Astrophysics Data System (ADS)

    Dahle, Pa˚L.; Helgaker, Trygve; Jonsson, Dan; Taylor, Peter R.

    2007-12-01

    In MP2-GGn theory, the second-order Mo/ller-Plesset (MP2) energy is recovered by a combined Gaussian-orbital—Gaussian-geminal (GG) expansion of the first-order wave function. While the restriction of geminals to doubly occupied orbital pairs (MP2-GG0) provides a modest improvement on standard MP2 theory, their inclusion also in all singly-excited (MP2-GG1) and doubly-excited (MP2-GG2) pairs recovers essentially all of the correlation energy in small (double- and triple-zeta) basis sets. For several small systems, our MP2-GGn energies represent the best MP2 energies reported in the literature.

  17. Molecular structure calculations: A unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representation

    SciTech Connect

    Matyus, Edit; Reiher, Markus

    2012-07-14

    We elaborate on the theory for the variational solution of the Schroedinger equation of small atomic and molecular systems without relying on the Born-Oppenheimer paradigm. The all-particle Schroedinger equation is solved in a numerical procedure using the variational principle, Cartesian coordinates, parameterized explicitly correlated Gaussian functions with polynomial prefactors, and the global vector representation. As a result, non-relativistic energy levels and wave functions of few-particle systems can be obtained for various angular momentum, parity, and spin quantum numbers. A stochastic variational optimization of the basis function parameters facilitates the calculation of accurate energies and wave functions for the ground and some excited rotational-(vibrational-)electronic states of H{sub 2}{sup +} and H{sub 2}, three bound states of the positronium molecule, Ps{sub 2}, and the ground and two excited states of the {sup 7}Li atom.

  18. Molecular structure calculations: a unified quantum mechanical description of electrons and nuclei using explicitly correlated Gaussian functions and the global vector representation.

    PubMed

    Mátyus, Edit; Reiher, Markus

    2012-07-14

    We elaborate on the theory for the variational solution of the Schrödinger equation of small atomic and molecular systems without relying on the Born-Oppenheimer paradigm. The all-particle Schrödinger equation is solved in a numerical procedure using the variational principle, Cartesian coordinates, parameterized explicitly correlated Gaussian functions with polynomial prefactors, and the global vector representation. As a result, non-relativistic energy levels and wave functions of few-particle systems can be obtained for various angular momentum, parity, and spin quantum numbers. A stochastic variational optimization of the basis function parameters facilitates the calculation of accurate energies and wave functions for the ground and some excited rotational-(vibrational-)electronic states of H(2) (+) and H(2), three bound states of the positronium molecule, Ps(2), and the ground and two excited states of the (7)Li atom.

  19. Rapid Bacterial Detection via an All-Electronic CMOS Biosensor

    PubMed Central

    Nikkhoo, Nasim; Cumby, Nichole; Gulak, P. Glenn; Maxwell, Karen L.

    2016-01-01

    The timely and accurate diagnosis of infectious diseases is one of the greatest challenges currently facing modern medicine. The development of innovative techniques for the rapid and accurate identification of bacterial pathogens in point-of-care facilities using low-cost, portable instruments is essential. We have developed a novel all-electronic biosensor that is able to identify bacteria in less than ten minutes. This technology exploits bacteriocins, protein toxins naturally produced by bacteria, as the selective biological detection element. The bacteriocins are integrated with an array of potassium-selective sensors in Complementary Metal Oxide Semiconductor technology to provide an inexpensive bacterial biosensor. An electronic platform connects the CMOS sensor to a computer for processing and real-time visualization. We have used this technology to successfully identify both Gram-positive and Gram-negative bacteria commonly found in human infections. PMID:27618185

  20. Broadband all-electronically tunable MEMS terahertz quantum cascade lasers.

    PubMed

    Han, Ningren; de Geofroy, Alexander; Burghoff, David P; Chan, Chun Wang I; Lee, Alan Wei Min; Reno, John L; Hu, Qing

    2014-06-15

    In this work, we demonstrate all-electronically tunable terahertz quantum cascade lasers (THz QCLs) with MEMS tuner structures. A two-stage MEMS tuner device is fabricated by a commercial open-foundry process performed by the company MEMSCAP. This provides an inexpensive, rapid, and reliable approach for MEMS tuner fabrication for THz QCLs with a high-precision alignment scheme. In order to electronically actuate the MEMS tuner device, an open-loop cryogenic piezo nanopositioning stage is integrated with the device chip. Our experimental result shows that at least 240 GHz of single-mode continuous electronic tuning can be achieved in cryogenic environments (∼4  K) without mode hopping. This provides an important step toward realizing turn-key bench-top tunable THz coherent sources for spectroscopic and coherent tomography applications.

  1. Rapid Bacterial Detection via an All-Electronic CMOS Biosensor.

    PubMed

    Nikkhoo, Nasim; Cumby, Nichole; Gulak, P Glenn; Maxwell, Karen L

    2016-01-01

    The timely and accurate diagnosis of infectious diseases is one of the greatest challenges currently facing modern medicine. The development of innovative techniques for the rapid and accurate identification of bacterial pathogens in point-of-care facilities using low-cost, portable instruments is essential. We have developed a novel all-electronic biosensor that is able to identify bacteria in less than ten minutes. This technology exploits bacteriocins, protein toxins naturally produced by bacteria, as the selective biological detection element. The bacteriocins are integrated with an array of potassium-selective sensors in Complementary Metal Oxide Semiconductor technology to provide an inexpensive bacterial biosensor. An electronic platform connects the CMOS sensor to a computer for processing and real-time visualization. We have used this technology to successfully identify both Gram-positive and Gram-negative bacteria commonly found in human infections. PMID:27618185

  2. Explicitly correlated three-dimensional potential-energy surface of the thiazyl-hydride-helium weakly bound system and implications for HSN detection

    NASA Astrophysics Data System (ADS)

    Ajili, Y.; Ben Abdallah, D.; Mogren Al-Mogren, M.; Lique, F.; Francisco, J. S.; Hochlaf, M.

    2016-07-01

    The intermonomer three-dimensional potential-energy surface (3D PES) of the thiazyl-hydride-helium (HSN-He) weakly bound molecular system is generated using the explicitly correlated coupled-cluster method with single, double, and perturbative triple excitations. The 3D PES is mapped in Jacobi coordinates. This potential-energy surface shows a unique potential well at planar configurations. The depth of this potential is 74.4 c m-1 . This 3D PES is incorporated into a close-coupling and coupled-states quantum dynamical treatment of nuclear motions to deduce the rotational (de-)excitation of HSN by He for energies up to 1400 c m-1 . After averaging over a Maxwell-Boltzmann distribution, the collisional rate coefficients are derived for temperatures ranging from 5 to 200 K. These data are essential for the identification of HSN molecules in astrophysical media. A comparison between thionitrosyl-hydride—He and HSN-He is performed.

  3. Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches

    SciTech Connect

    Burns, Lori A.; Marshall, Michael S.; Sherrill, C. David

    2014-12-21

    A systematic examination of noncovalent interactions as modeled by wavefunction theory is presented in comparison to gold-standard quality benchmarks available for 345 interaction energies of 49 bimolecular complexes. Quantum chemical techniques examined include spin-component-scaling (SCS) variations on second-order perturbation theory (MP2) [SCS, SCS(N), SCS(MI)] and coupled cluster singles and doubles (CCSD) [SCS, SCS(MI)]; also, method combinations designed to improve dispersion contacts [DW-MP2, MP2C, MP2.5, DW-CCSD(T)-F12]; where available, explicitly correlated (F12) counterparts are also considered. Dunning basis sets augmented by diffuse functions are employed for all accessible ζ-levels; truncations of the diffuse space are also considered. After examination of both accuracy and performance for 394 model chemistries, SCS(MI)-MP2/cc-pVQZ can be recommended for general use, having good accuracy at low cost and no ill-effects such as imbalance between hydrogen-bonding and dispersion-dominated systems or non-parallelity across dissociation curves. Moreover, when benchmarking accuracy is desirable but gold-standard computations are unaffordable, this work recommends silver-standard [DW-CCSD(T**)-F12/aug-cc-pVDZ] and bronze-standard [MP2C-F12/aug-cc-pVDZ] model chemistries, which support accuracies of 0.05 and 0.16 kcal/mol and efficiencies of 97.3 and 5.5 h for adenine·thymine, respectively. Choice comparisons of wavefunction results with the best symmetry-adapted perturbation theory [T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014)] and density functional theory [L. A. Burns, Á. Vázquez-Mayagoitia, B. G. Sumpter, and C. D. Sherrill, J. Chem. Phys. 134, 084107 (2011)] methods previously studied for these databases are provided for readers' guidance.

  4. Appointing silver and bronze standards for noncovalent interactions: a comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction approaches.

    PubMed

    Burns, Lori A; Marshall, Michael S; Sherrill, C David

    2014-12-21

    A systematic examination of noncovalent interactions as modeled by wavefunction theory is presented in comparison to gold-standard quality benchmarks available for 345 interaction energies of 49 bimolecular complexes. Quantum chemical techniques examined include spin-component-scaling (SCS) variations on second-order perturbation theory (MP2) [SCS, SCS(N), SCS(MI)] and coupled cluster singles and doubles (CCSD) [SCS, SCS(MI)]; also, method combinations designed to improve dispersion contacts [DW-MP2, MP2C, MP2.5, DW-CCSD(T)-F12]; where available, explicitly correlated (F12) counterparts are also considered. Dunning basis sets augmented by diffuse functions are employed for all accessible ζ-levels; truncations of the diffuse space are also considered. After examination of both accuracy and performance for 394 model chemistries, SCS(MI)-MP2/cc-pVQZ can be recommended for general use, having good accuracy at low cost and no ill-effects such as imbalance between hydrogen-bonding and dispersion-dominated systems or non-parallelity across dissociation curves. Moreover, when benchmarking accuracy is desirable but gold-standard computations are unaffordable, this work recommends silver-standard [DW-CCSD(T**)-F12/aug-cc-pVDZ] and bronze-standard [MP2C-F12/aug-cc-pVDZ] model chemistries, which support accuracies of 0.05 and 0.16 kcal/mol and efficiencies of 97.3 and 5.5 h for adenine·thymine, respectively. Choice comparisons of wavefunction results with the best symmetry-adapted perturbation theory [T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014)] and density functional theory [L. A. Burns, Á. Vázquez-Mayagoitia, B. G. Sumpter, and C. D. Sherrill, J. Chem. Phys. 134, 084107 (2011)] methods previously studied for these databases are provided for readers' guidance.

  5. Label-free all-electronic biosensing in microfluidic systems

    NASA Astrophysics Data System (ADS)

    Stanton, Michael A.

    Label-free, all-electronic detection techniques offer great promise for advancements in medical and biological analysis. Electrical sensing can be used to measure both interfacial and bulk impedance changes in conducting solutions. Electronic sensors produced using standard microfabrication processes are easily integrated into microfluidic systems. Combined with the sensitivity of radiofrequency electrical measurements, this approach offers significant advantages over competing biological sensing methods. Scalable fabrication methods also provide a means of bypassing the prohibitive costs and infrastructure associated with current technologies. We describe the design, development and use of a radiofrequency reflectometer integrated into a microfluidic system towards the specific detection of biologically relevant materials. We developed a detection protocol based on impedimetric changes caused by the binding of antibody/antigen pairs to the sensing region. Here we report the surface chemistry that forms the necessary capture mechanism. Gold-thiol binding was utilized to create an ordered alkane monolayer on the sensor surface. Exposed functional groups target the N-terminus, affixing a protein to the monolayer. The general applicability of this method lends itself to a wide variety of proteins. To demonstrate specificity, commercially available mouse anti- Streptococcus Pneumoniae monoclonal antibody was used to target the full-length recombinant pneumococcal surface protein A, type 2 strain D39 expressed by Streptococcus Pneumoniae. We demonstrate the RF response of the sensor to both the presence of the surface decoration and bound SPn cells in a 1x phosphate buffered saline solution. The combined microfluidic sensor represents a powerful platform for the analysis and detection of cells and biomolecules.

  6. Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?

    NASA Astrophysics Data System (ADS)

    Sylvetsky, Nitai; Peterson, Kirk A.; Karton, Amir; Martin, Jan M. L.

    2016-06-01

    In the context of high-accuracy computational thermochemistry, the valence coupled cluster with all singles and doubles (CCSD) correlation component of molecular atomization energies presents the most severe basis set convergence problem, followed by the (T) component. In the present paper, we make a detailed comparison, for an expanded version of the W4-11 thermochemistry benchmark, between, on the one hand, orbital-based CCSD/AV{5,6}Z + d and CCSD/ACV{5,6}Z extrapolation, and on the other hand CCSD-F12b calculations with cc-pVQZ-F12 and cc-pV5Z-F12 basis sets. This latter basis set, now available for H-He, B-Ne, and Al-Ar, is shown to be very close to the basis set limit. Apparent differences (which can reach 0.35 kcal/mol for systems like CCl4) between orbital-based and CCSD-F12b basis set limits disappear if basis sets with additional radial flexibility, such as ACV{5,6}Z, are used for the orbital calculation. Counterpoise calculations reveal that, while total atomization energies with V5Z-F12 basis sets are nearly free of BSSE, orbital calculations have significant BSSE even with AV(6 + d)Z basis sets, leading to non-negligible differences between raw and counterpoise-corrected extrapolated limits. This latter problem is greatly reduced by switching to ACV{5,6}Z core-valence basis sets, or simply adding an additional zeta to just the valence orbitals. Previous reports that all-electron approaches like HEAT (high-accuracy extrapolated ab-initio thermochemistry) lead to different CCSD(T) limits than "valence limit + CV correction" approaches like Feller-Peterson-Dixon and Weizmann-4 (W4) theory can be rationalized in terms of the greater radial flexibility of core-valence basis sets. For (T) corrections, conventional CCSD(T)/AV{Q,5}Z + d calculations are found to be superior to scaled or extrapolated CCSD(T)-F12b calculations of similar cost. For a W4-F12 protocol, we recommend obtaining the Hartree-Fock and valence CCSD components from CCSD-F12b/cc-pV{Q,5}Z-F12

  7. Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?

    PubMed

    Sylvetsky, Nitai; Peterson, Kirk A; Karton, Amir; Martin, Jan M L

    2016-06-01

    In the context of high-accuracy computational thermochemistry, the valence coupled cluster with all singles and doubles (CCSD) correlation component of molecular atomization energies presents the most severe basis set convergence problem, followed by the (T) component. In the present paper, we make a detailed comparison, for an expanded version of the W4-11 thermochemistry benchmark, between, on the one hand, orbital-based CCSD/AV{5,6}Z + d and CCSD/ACV{5,6}Z extrapolation, and on the other hand CCSD-F12b calculations with cc-pVQZ-F12 and cc-pV5Z-F12 basis sets. This latter basis set, now available for H-He, B-Ne, and Al-Ar, is shown to be very close to the basis set limit. Apparent differences (which can reach 0.35 kcal/mol for systems like CCl4) between orbital-based and CCSD-F12b basis set limits disappear if basis sets with additional radial flexibility, such as ACV{5,6}Z, are used for the orbital calculation. Counterpoise calculations reveal that, while total atomization energies with V5Z-F12 basis sets are nearly free of BSSE, orbital calculations have significant BSSE even with AV(6 + d)Z basis sets, leading to non-negligible differences between raw and counterpoise-corrected extrapolated limits. This latter problem is greatly reduced by switching to ACV{5,6}Z core-valence basis sets, or simply adding an additional zeta to just the valence orbitals. Previous reports that all-electron approaches like HEAT (high-accuracy extrapolated ab-initio thermochemistry) lead to different CCSD(T) limits than "valence limit + CV correction" approaches like Feller-Peterson-Dixon and Weizmann-4 (W4) theory can be rationalized in terms of the greater radial flexibility of core-valence basis sets. For (T) corrections, conventional CCSD(T)/AV{Q,5}Z + d calculations are found to be superior to scaled or extrapolated CCSD(T)-F12b calculations of similar cost. For a W4-F12 protocol, we recommend obtaining the Hartree-Fock and valence CCSD components from CCSD-F12b/cc-pV{Q,5}Z-F12

  8. All-electron double zeta basis sets for the lanthanides: Application in atomic and molecular property calculations

    NASA Astrophysics Data System (ADS)

    Jorge, F. E.; Martins, L. S. C.; Franco, M. L.

    2016-01-01

    Segmented all-electron basis sets of valence double zeta quality plus polarization functions (DZP) for the elements from Ce to Lu are generated to be used with the non-relativistic and Douglas-Kroll-Hess (DKH) Hamiltonians. At the B3LYP level, the DZP-DKH atomic ionization energies and equilibrium bond lengths and atomization energies of the lanthanide trifluorides are evaluated and compared with benchmark theoretical and experimental data reported in the literature. In general, this compact size set shows to have a regular, efficient, and reliable performance. It can be particularly useful in molecular property calculations that require explicit treatment of the core electrons.

  9. Direct non-Born-Oppenheimer variational calculations of all bound vibrational states corresponding to the first rotational excitation of D{sub 2} performed with explicitly correlated all-particle Gaussian functions

    SciTech Connect

    Sharkey, Keeper L.; Kirnosov, Nikita; Adamowicz, Ludwik

    2015-05-07

    Direct variational calculations where the Born-Oppenheimer approximation is not assumed are done for all rovibrational states of the D{sub 2} molecule corresponding to first excited rotational level (the N = 1 states). All-particle explicitly correlated Gaussian basis functions are used in the calculations. The exponential parameters of the Gaussians are optimized with the aid of analytically calculated energy gradient determined with respect to these parameters. The results allow to determine the ortho-para spin isomerization energies as a function of the vibrational quantum number.

  10. All-electron segmented contraction basis sets of triple zeta valence quality for the fifth-row elements

    NASA Astrophysics Data System (ADS)

    Martins, L. S. C.; Jorge, F. E.; Machado, S. F.

    2015-11-01

    All-electron contracted Gaussian basis set of triple zeta valence quality plus polarisation functions (TZP) for the elements Cs, Ba, La, and from Hf to Rn is presented. Douglas-Kroll-Hess (DKH) basis set for fifth-row elements is also reported. We have recontracted the original TZP basis set, i.e., the values of the contraction coefficients are re-optimised using the second-order DKH Hamiltonian. By addition of diffuse functions (s, p, d, f, and g symmetries), which are optimised for the anion ground states, an augmented TZP basis set is constructed. Using the B3LYP hybrid functional, the performance of the TZP-DKH basis set is assessed for predicting atomic ionisation energy as well as spectroscopy constants of some compounds. Despite its compact size, this set demonstrates consistent, efficient, and reliable performance and will be especially useful in calculations of molecular properties that require explicit treatment of the core electrons.

  11. Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations

    SciTech Connect

    Webster, R. Harrison, N. M.; Bernasconi, L.

    2015-06-07

    We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features of the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green’s function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional c{sub HF} and show that there exists one value of c{sub HF} (∼0.32) that reproduces at least semi-quantitatively the optical gap of this material.

  12. Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations

    NASA Astrophysics Data System (ADS)

    Webster, R.; Bernasconi, L.; Harrison, N. M.

    2015-06-01

    We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features of the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green's function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional cHF and show that there exists one value of cHF (˜0.32) that reproduces at least semi-quantitatively the optical gap of this material.

  13. Ortho-para nuclear-spin isomerization energies for all bound vibrational states of ditritium (T2) from non-Born-Oppenheimer variational calculations performed with explicitly correlated all-particle Gaussian functions

    NASA Astrophysics Data System (ADS)

    Kirnosov, Nikita; Sharkey, Keeper L.; Adamowicz, Ludwik

    2015-11-01

    Direct variational calculations, where the Born-Oppenheimer (BO) approximation is not assumed, are performed for all 26 bound rovibrational states corresponding to the lowest rotational excitation (i.e. the N = 1 states) of the tritium molecule (T2). The non-BO energies are used to determine the ortho-para isomerization energies. All-particle explicitly correlated Gaussian basis functions are employed in the calculations and over 11 000 Gaussians independently generated for each state are used. The exponential parameters of the Gaussians are optimized with the aid of analytically calculated energy gradient determined with respect to these parameters. The non-BO wave functions are used to calculate expectation values of the inter-particle distances and the triton-triton correlation functions.

  14. On the use of explicitly correlated treatment methods for the generation of accurate polyatomic -He/H2 interaction potential energy surfaces: The case of C3-He complex and generalization

    NASA Astrophysics Data System (ADS)

    Al Mogren, M. M.; Denis-Alpizar, O.; Abdallah, D. Ben; Stoecklin, T.; Halvick, P.; Senent, M.-L.; Hochlaf, M.

    2014-07-01

    Through the study of the C3({tilde X}1Σg+) + He(1S) astrophysical relevant system using standard (CCSD(T)) and explicitly correlated (CCSD(T)-F12) coupled cluster approaches, we show that the CCSD(T)-F12/aug-cc-pVTZ level represents a good compromise between accuracy and low computational cost for the generation of multi-dimensional potential energy surfaces (PESs) over both intra- and inter-monomer degrees of freedom. Indeed, the CCSD(T)-F12/aug-cc-pVTZ 2D-PES for linear C3 and the CCSD(T)-F12/aug-cc-pVTZ 4D-PES for bent C3 configurations gently approach those mapped at the CCSD(T)/aug-cc-pVXZ (X = T,Q) + bond functions level, whereas a strong reduction of computational effort is observed. After exact dynamical computations, the pattern of the rovibrational levels of the intermediate C3-He complex and the rotational and rovibrational (de-) excitation of C3 by He derived using both sets of PESs agree quite well. Since C3 shows a floppy character, the interaction PES is defined in four dimensions to obtain realistic collisional parameters. The C-C-C bending mode, which fundamental lies at 63 cm-1 and can be excited at very low temperatures is explicitly considered as independent coordinate. Our work suggests hence that CCSD(T)-F12/aug-cc-pVTZ methodology is the key method for the generation of accurate polyatomic - He/H2 multi-dimensional PESs.

  15. Efficient Parallel All-Electron Four-Component Dirac-Kohn-Sham Program Using a Distributed Matrix Approach II.

    PubMed

    Storchi, Loriano; Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Quiney, Harry M

    2013-12-10

    We propose a new complete memory-distributed algorithm, which significantly improves the parallel implementation of the all-electron four-component Dirac-Kohn-Sham (DKS) module of BERTHA (J. Chem. Theory Comput. 2010, 6, 384). We devised an original procedure for mapping the DKS matrix between an efficient integral-driven distribution, guided by the structure of specific G-spinor basis sets and by density fitting algorithms, and the two-dimensional block-cyclic distribution scheme required by the ScaLAPACK library employed for the linear algebra operations. This implementation, because of the efficiency in the memory distribution, represents a leap forward in the applicability of the DKS procedure to arbitrarily large molecular systems and its porting on last-generation massively parallel systems. The performance of the code is illustrated by some test calculations on several gold clusters of increasing size. The DKS self-consistent procedure has been explicitly converged for two representative clusters, namely Au20 and Au34, for which the density of electronic states is reported and discussed. The largest gold cluster uses more than 39k basis functions and DKS matrices of the order of 23 GB. PMID:26592273

  16. Comparison of one-particle basis set extrapolation to explicitly correlated methods for the calculation of accurate quartic force fields, vibrational frequencies, and spectroscopic constants: application to H2O, N2H+, NO2+, and C2H2.

    PubMed

    Huang, Xinchuan; Valeev, Edward F; Lee, Timothy J

    2010-12-28

    One-particle basis set extrapolation is compared with one of the new R12 methods for computing highly accurate quartic force fields (QFFs) and spectroscopic data, including molecular structures, rotational constants, and vibrational frequencies for the H(2)O, N(2)H(+), NO(2)(+), and C(2)H(2) molecules. In general, agreement between the spectroscopic data computed from the best R12 and basis set extrapolation methods is very good with the exception of a few parameters for N(2)H(+) where it is concluded that basis set extrapolation is still preferred. The differences for H(2)O and NO(2)(+) are small and it is concluded that the QFFs from both approaches are more or less equivalent in accuracy. For C(2)H(2), however, a known one-particle basis set deficiency for C-C multiple bonds significantly degrades the quality of results obtained from basis set extrapolation and in this case the R12 approach is clearly preferred over one-particle basis set extrapolation. The R12 approach used in the present study was modified in order to obtain high precision electronic energies, which are needed when computing a QFF. We also investigated including core-correlation explicitly in the R12 calculations, but conclude that current approaches are lacking. Hence core-correlation is computed as a correction using conventional methods. Considering the results for all four molecules, it is concluded that R12 methods will soon replace basis set extrapolation approaches for high accuracy electronic structure applications such as computing QFFs and spectroscopic data for comparison to high-resolution laboratory or astronomical observations, provided one uses a robust R12 method as we have done here. The specific R12 method used in the present study, CCSD(T)(R12), incorporated a reformulation of one intermediate matrix in order to attain machine precision in the electronic energies. Final QFFs for N(2)H(+) and NO(2)(+) were computed, including basis set extrapolation, core-correlation, scalar

  17. Fundamental High-Pressure Calibration from All-Electron Quantum Monte Carlo Calculations

    SciTech Connect

    Esler, K. P.; Cohen, R. E.; Militzer, B.; Kim, Jeongnim; Needs, R. J.; Towler, M. D.

    2010-05-07

    We develop an all-electron quantum Monte Carlo (QMC) method for solids that does not rely on pseudopotentials, and use it to construct a primary ultra-high-pressure calibration based on the equation of state of cubic boron nitride. We compute the static contribution to the free energy with the QMC method and obtain the phonon contribution from density functional theory, yielding a high-accuracy calibration up to 900 GPa usable directly in experiment. We compute the anharmonic Raman frequency shift with QMC simulations as a function of pressure and temperature, allowing optical pressure calibration. In contrast to present experimental approaches, small systematic errors in the theoretical EOS do not increase with pressure, and no extrapolation is needed. This all-electron method is applicable to first-row solids, providing a new reference for ab initio calculations of solids and benchmarks for pseudopotential accuracy.

  18. Explicit Fourier wavefield operators

    NASA Astrophysics Data System (ADS)

    Ferguson, R. J.; Margrave, G. F.

    2006-04-01

    Explicit wavefield extrapolators are based on direct analytic mathematical formulae that express the output as an extrapolation operator acting on the input, while implicit methods usually require the calculation of the numerical inverse of a matrix to obtain the output. Typically, explicit methods are faster than implicit methods, and they often give more insight into the physics of the wave propagation, but they often suffer from instability. Four different explicit extrapolators based on Fourier theory are presented and analysed. They are: PS (ordinary phase shift), GPSPI (generalized phase shift plus interpolation), NSPS (non-stationary phase shift) and SNPS (symmetric non-stationary phase shift). A formal proof is given that NSPS in a direction orthogonal to the velocity gradient is the mathematical adjoint process to GPSPI in the opposite direction. This motivates the construction of SNPS that combines NSPS and GPSPI in a symmetric fashion. This symmetry (under interchange of input and output lateral coordinates) is required by reciprocity arguments. PS and SNPS are symmetric while NSPS and GPSPI are not. A numerical stability study using SVD (singular value decomposition) shows that all of these extrapolators can become unstable for strong lateral velocity gradients. Unstable operators allow amplitudes to grow non-physically in a recursion. Stability is enhanced by introducing a small (~3 per cent) imaginary component to the velocities. This causes a numerical attenuation that tends to stabilize the operators but does not address the cause of the instability. For the velocity model studied (a very challenging case) GPSPI and NSPS have exactly the same instability while SNPS is always more stable. Instability manifests in a complicated way as a function of extrapolation step size, frequency, velocity gradient, and strength of numerical attenuation. The SNPS operator can be stabilized over a wide range of conditions with considerably less attenuation than is

  19. Explicit superconic curves.

    PubMed

    Cho, Sunggoo

    2016-09-01

    Conics and Cartesian ovals are extremely important curves in various fields of science. In addition, aspheric curves based on conics are useful in optical design. Superconic curves, recently suggested by Greynolds, are extensions of both conics and Cartesian ovals and have been applied to optical design. However, they are not extensions of aspheric curves based on conics. In this work, we investigate another type of superconic curves. These superconic curves are extensions of not only conics and Cartesian ovals but also aspheric curves based on conics. Moreover, these are represented in explicit form, while Greynolds's superconic curves are in implicit form. PMID:27607506

  20. Threshold photoelectron spectroscopy of the methyl radical isotopomers, CH3, CH2D, CHD2 and CD3: synergy between VUV synchrotron radiation experiments and explicitly correlated coupled cluster calculations.

    PubMed

    Cunha de Miranda, Bárbara K; Alcaraz, Christian; Elhanine, Mohamed; Noller, Bastian; Hemberger, Patrick; Fischer, Ingo; Garcia, Gustavo A; Soldi-Lose, Héloïse; Gans, Bérenger; Mendes, Luiz A Vieira; Boyé-Péronne, Séverine; Douin, Stéphane; Zabka, Jan; Botschwina, Peter

    2010-04-15

    Threshold photoelectron spectra (TPES) of the isotopomers of the methyl radical (CH(3), CH(2)D, CHD(2), and CD(3)) have been recorded in the 9.5-10.5 eV VUV photon energy range using third generation synchrotron radiation to investigate the vibrational spectroscopy of the corresponding cations at a 7-11 meV resolution. A threshold photoelectron-photoion coincidence (TPEPICO) spectrometer based on velocity map imaging and Wiley-McLaren time-of-flight has been used to simultaneously record the TPES of several radical species produced in a Ar-seeded beam by dc flash-pyrolysis of nitromethane (CH(x)D(y)NO(2), x + y = 3). Vibrational bands belonging to the symmetric stretching and out-of-plane bending modes have been observed and P, Q, and R branches have been identified in the analysis of the rotational profiles. Vibrational configuration interaction (VCI), in conjunction with near-equilibrium potential energy surfaces calculated by the explicitly correlated coupled cluster method CCSD(T*)-F12a, is used to calculate vibrational frequencies for the four radical isotopomers and the corresponding cations. Agreement with data from high-resolution IR spectroscopy is very good and a large number of predictions is made. In particular, the calculated wavenumbers for the out-of-plane bending vibrations, nu(2)(CH(3)(+)) = 1404 cm(-1), nu(4)(CH(2)D(+)) = 1308 cm(-1), nu(4)(CHD(2)(+)) = 1205 cm(-1), and nu(2)(CD(3)(+)) = 1090 cm(-1), should be accurate to ca. 2 cm(-1). Additionally, computed Franck-Condon factors are used to estimate the importance of autoionization relative to direct ionization. The chosen models globally account for the observed transitions, but in contrast to PES spectroscopy, evidence for rotational and vibrational autoionization is found. It is shown that state-selected methyl cations can be produced by TPEPICO spectroscopy for ion-molecule reaction studies, which are very important for the understanding of the planetary ionosphere chemistry. PMID:20218643

  1. Calculation of all-electron wavefunction of hemoprotein cytochrome c by density functional theory

    NASA Astrophysics Data System (ADS)

    Sato, Fumitoshi; Yoshihiro, Tamotsu; Era, Makoto; Kashiwagi, Hiroshi

    2001-06-01

    An all-electron wavefunction of horse heart d 6-low-spin ferrocytochrome c (ferrocyt. c) was calculated by our Gaussian-based density functional theory (DFT) molecular orbital (MO) program, ProteinDF with a workstation cluster. It may be the first full-scale DFT calculation of a metalloprotein, and the numbers of orbitals and auxiliary functions are 9600 and 17 578, respectively. We show that the highest occupied MO (HOMO) derives from 3d orbitals of heme Fe and is unexpectedly delocalized while preserving the essential atomic character, which will give room for consideration of the electron transfer processes between proteins. The potential of MO calculations on larger proteins is also discussed with the computational data of cytochrome c (cyt. c).

  2. Large-scale All-electron Density Functional Theory Calculations using Enriched Finite Element Method

    NASA Astrophysics Data System (ADS)

    Kanungo, Bikash; Gavini, Vikram

    We present a computationally efficient method to perform large-scale all-electron density functional theory calculations by enriching the Lagrange polynomial basis in classical finite element (FE) discretization with atom-centered numerical basis functions, which are obtained from the solutions of the Kohn-Sham (KS) problem for single atoms. We term these atom-centered numerical basis functions as enrichment functions. The integrals involved in the construction of the discrete KS Hamiltonian and overlap matrix are computed using an adaptive quadrature grid based on gradients in the enrichment functions. Further, we propose an efficient scheme to invert the overlap matrix by exploiting its LDL factorization and employing spectral finite elements along with Gauss-Lobatto quadrature rules. Finally, we use a Chebyshev polynomial based acceleration technique to compute the occupied eigenspace in each self-consistent iteration. We demonstrate the accuracy, efficiency and scalability of the proposed method on various metallic and insulating benchmark systems, with systems ranging in the order of 10,000 electrons. We observe a 50-100 fold reduction in the overall computational time when compared to classical FE calculations while being commensurate with the desired chemical accuracy. We acknowledge the support of NSF (Grant No. 1053145) and ARO (Grant No. W911NF-15-1-0158) in conducting this work.

  3. Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set.

    PubMed

    Paschoal, D; Guerra, C Fonseca; de Oliveira, M A L; Ramalho, T C; Dos Santos, H F

    2016-10-01

    Predicting NMR properties is a valuable tool to assist the experimentalists in the characterization of molecular structure. For heavy metals, such as Pt-195, only a few computational protocols are available. In the present contribution, all-electron Gaussian basis sets, suitable to calculate the Pt-195 NMR chemical shift, are presented for Pt and all elements commonly found as Pt-ligands. The new basis sets identified as NMR-DKH were partially contracted as a triple-zeta doubly polarized scheme with all coefficients obtained from a Douglas-Kroll-Hess (DKH) second-order scalar relativistic calculation. The Pt-195 chemical shift was predicted through empirical models fitted to reproduce experimental data for a set of 183 Pt(II) complexes which NMR sign ranges from -1000 to -6000 ppm. Furthermore, the models were validated using a new set of 75 Pt(II) complexes, not included in the descriptive set. The models were constructed using non-relativistic Hamiltonian at density functional theory (DFT-PBEPBE) level with NMR-DKH basis set for all atoms. For the best model, the mean absolute deviation (MAD) and the mean relative deviation (MRD) were 150 ppm and 6%, respectively, for the validation set (75 Pt-complexes) and 168 ppm (MAD) and 5% (MRD) for all 258 Pt(II) complexes. These results were comparable with relativistic DFT calculation, 200 ppm (MAD) and 6% (MRD). © 2016 Wiley Periodicals, Inc. PMID:27510431

  4. Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set.

    PubMed

    Paschoal, D; Guerra, C Fonseca; de Oliveira, M A L; Ramalho, T C; Dos Santos, H F

    2016-10-01

    Predicting NMR properties is a valuable tool to assist the experimentalists in the characterization of molecular structure. For heavy metals, such as Pt-195, only a few computational protocols are available. In the present contribution, all-electron Gaussian basis sets, suitable to calculate the Pt-195 NMR chemical shift, are presented for Pt and all elements commonly found as Pt-ligands. The new basis sets identified as NMR-DKH were partially contracted as a triple-zeta doubly polarized scheme with all coefficients obtained from a Douglas-Kroll-Hess (DKH) second-order scalar relativistic calculation. The Pt-195 chemical shift was predicted through empirical models fitted to reproduce experimental data for a set of 183 Pt(II) complexes which NMR sign ranges from -1000 to -6000 ppm. Furthermore, the models were validated using a new set of 75 Pt(II) complexes, not included in the descriptive set. The models were constructed using non-relativistic Hamiltonian at density functional theory (DFT-PBEPBE) level with NMR-DKH basis set for all atoms. For the best model, the mean absolute deviation (MAD) and the mean relative deviation (MRD) were 150 ppm and 6%, respectively, for the validation set (75 Pt-complexes) and 168 ppm (MAD) and 5% (MRD) for all 258 Pt(II) complexes. These results were comparable with relativistic DFT calculation, 200 ppm (MAD) and 6% (MRD). © 2016 Wiley Periodicals, Inc.

  5. Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations

    NASA Astrophysics Data System (ADS)

    Willand, Alex; Kvashnin, Yaroslav O.; Genovese, Luigi; Vázquez-Mayagoitia, Álvaro; Deb, Arpan Krishna; Sadeghi, Ali; Deutsch, Thierry; Goedecker, Stefan

    2013-03-01

    By adding a nonlinear core correction to the well established dual space Gaussian type pseudopotentials for the chemical elements up to the third period, we construct improved pseudopotentials for the Perdew-Burke-Ernzerhof [J. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996), 10.1103/PhysRevLett.77.3865] functional and demonstrate that they exhibit excellent accuracy. Our benchmarks for the G2-1 test set show average atomization energy errors of only half a kcal/mol. The pseudopotentials also remain highly reliable for high pressure phases of crystalline solids. When supplemented by empirical dispersion corrections [S. Grimme, J. Comput. Chem. 27, 1787 (2006), 10.1002/jcc.20495; S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010), 10.1063/1.3382344] the average error in the interaction energy between molecules is also about half a kcal/mol. The accuracy that can be obtained by these pseudopotentials in combination with a systematic basis set is well superior to the accuracy that can be obtained by commonly used medium size Gaussian basis sets in all-electron calculations.

  6. All-electron Kohn–Sham density functional theory on hierarchic finite element spaces

    SciTech Connect

    Schauer, Volker; Linder, Christian

    2013-10-01

    In this work, a real space formulation of the Kohn–Sham equations is developed, making use of the hierarchy of finite element spaces from different polynomial order. The focus is laid on all-electron calculations, having the highest requirement onto the basis set, which must be able to represent the orthogonal eigenfunctions as well as the electrostatic potential. A careful numerical analysis is performed, which points out the numerical intricacies originating from the singularity of the nuclei and the necessity for approximations in the numerical setting, with the ambition to enable solutions within a predefined accuracy. In this context the influence of counter-charges in the Poisson equation, the requirement of a finite domain size, numerical quadratures and the mesh refinement are examined as well as the representation of the electrostatic potential in a high order finite element space. The performance and accuracy of the method is demonstrated in computations on noble gases. In addition the finite element basis proves its flexibility in the calculation of the bond-length as well as the dipole moment of the carbon monoxide molecule.

  7. The Explicit Teaching of Reading.

    ERIC Educational Resources Information Center

    Hancock, Joelie, Ed.

    Exploring the explicit teaching of reading, this book is the result of a group of Australian teachers who took a closer look at their teaching so that they could be clearer to their kindergarten through middle-school students. Chapter 1 is based on a presentation at a Saturday inservice program on explicit teaching. Chapters 2-9 were written by…

  8. All-electronic biosensing in microfluidics: bulk and surface impedance sensing

    NASA Astrophysics Data System (ADS)

    Fraikin, Jean-Luc

    All-electronic, impedance-based sensing techniques offer promising new routes for probing nanoscale biological processes. The ease with which electrical probes can be fabricated at the nanoscale and integrated into microfluidic systems, combined with the large bandwidth afforded by radiofrequency electrical measurement, gives electrical detection significant advantages over other sensing approaches. We have developed two microfluidic devices for impedance-based biosensing. The first is a novel radiofrequency (rf) field-effect transistor which uses the electrolytic Debye layer as its active element. We demonstrate control of the nm-thick Debye layer using an external gate voltage, with gate modulation at frequencies as high 5 MHz. We use this sensor to make quantitative measurements of the electric double-layer capacitance, including determining and controlling the potential of zero charge of the electrodes, a quantity of importance for electrochemistry and impedance-based biosensing. The second device is a microfluidic analyzer for high-throughput, label-free measurement of nanoparticles suspended in a fluid. We demonstrate detection and volumetric analysis of individual synthetic nanoparticles (<100 nm dia.) with sufficient throughput to analyze >500,000 particles/second, and are able to distinguish subcomponents of a polydisperse particle mixture with diameters larger than about 30-40 nm. We also demonstrate the rapid (seconds) size and titer analysis of unlabeled bacteriophage T7 (55-65 nm dia.) in both salt solution and mouse blood plasma, using ˜ 1 muL of analyte. Surprisingly, we find that the background of naturally-occurring nanoparticles in plasma have a power-law size distribution. The scalable fabrication of these instruments, and the simple electronics required for readout make them well-suited for practical applications.

  9. exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

    NASA Astrophysics Data System (ADS)

    Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia

    2014-09-01

    Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G0W0. Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more.

  10. Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory.

    PubMed

    Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia

    2014-09-10

    Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G(0)W(0). Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more. PMID:25135665

  11. Implicit and explicit contributions to statistical learning

    PubMed Central

    Batterink, Laura J.; Reber, Paul J.; Neville, Helen J.; Paller, Ken A.

    2015-01-01

    Statistical learning allows learners to detect regularities in the environment and appears to emerge automatically as a consequence of experience. Statistical learning paradigms bear many similarities to those of artificial grammar learning and other types of implicit learning. However, whether learning effects in statistical learning tasks are driven by implicit knowledge has not been thoroughly examined. The present study addressed this gap by examining the role of implicit and explicit knowledge within the context of a typical auditory statistical learning paradigm. Learners were exposed to a continuous stream of repeating nonsense words. Learning was tested (a) directly via a forced-choice recognition test combined with a remember/know procedure and (b) indirectly through a novel reaction time (RT) test. Behavior and brain potentials revealed statistical learning effects with both tests. On the recognition test, accurate responses were associated with subjective feelings of stronger recollection, and learned nonsense words relative to nonword foils elicited an enhanced late positive potential indicative of explicit knowledge. On the RT test, both RTs and P300 amplitudes differed as a function of syllable position, reflecting facilitation attributable to statistical learning. Explicit stimulus recognition did not correlate with RT or P300 effects on the RT test. These results provide evidence that explicit knowledge is accrued during statistical learning, while bringing out the possibility that dissociable implicit representations are acquired in parallel. The commonly used recognition measure primarily reflects explicit knowledge, and thus may underestimate the total amount of knowledge produced by statistical learning. Indirect measures may be more sensitive indices of learning, capturing knowledge above and beyond what is reflected by recognition accuracy. PMID:26034344

  12. Explicit Substitutions and All That

    NASA Technical Reports Server (NTRS)

    Ayala-Rincon, Mauricio; Munoz, Cesar; Busnell, Dennis M. (Technical Monitor)

    2000-01-01

    Explicit substitution calculi are extensions of the Lambda-calculus where the substitution mechanism is internalized into the theory. This feature makes them suitable for implementation and theoretical study of logic-based tools such as strongly typed programming languages and proof assistant systems. In this paper we explore new developments on two of the most successful styles of explicit substitution calculi: the lambda(sigma)- and lambda(s(e))-calculi.

  13. Explicit Substitutions and All That

    NASA Technical Reports Server (NTRS)

    Ayala-Rincon, Mauricio; Munoz, Cesar

    2000-01-01

    Explicit substitution calculi are extensions of the lambda-calculus where the substitution mechanism is internalized into the theory. This feature makes them suitable for implementation and theoretical study of logic-based tools such as strongly typed programming languages and proof assistant systems. In this paper we explore new developments on two of the most successful styles of explicit substitution calculi: the lambda sigma- and lambda S(e)-calculi.

  14. All-electron topological insulator in InAs double wells

    NASA Astrophysics Data System (ADS)

    Erlingsson, Sigurdur I.; Egues, J. Carlos

    2015-01-01

    We show that electrons in ordinary III-V semiconductor double wells with an in-plane modulating periodic potential and interwell spin-orbit interaction are tunable topological insulators (TIs). Here the essential TI ingredients, namely, band inversion and the opening of an overall bulk gap in the spectrum arise, respectively, from (i) the combined effect of the double-well even-odd state splitting ΔSAS together with the superlattice potential and (ii) the interband Rashba spin-orbit coupling η . We corroborate our exact diagonalization results with an analytical nearly-free-electron description that allows us to derive an effective Bernevig-Hughes-Zhang model. Interestingly, the gate-tunable mass gap M drives a topological phase transition featuring a discontinuous Chern number at ΔSAS˜5.4 meV . Finally, we explicitly verify the bulk-edge correspondence by considering a strip configuration and determining not only the bulk bands in the nontopological and topological phases but also the edge states and their Dirac-like spectrum in the topological phase. The edge electronic densities exhibit peculiar spatial oscillations as they decay away into the bulk. For concreteness, we present our results for InAs-based wells with realistic parameters.

  15. Why do implicit and explicit attitude tests diverge? The role of structural fit.

    PubMed

    Payne, B Keith; Burkley, Melissa A; Stokes, Mark B

    2008-01-01

    Implicit and explicit attitude tests are often weakly correlated, leading some theorists to conclude that implicit and explicit cognition are independent. Popular implicit and explicit tests, however, differ in many ways beyond implicit and explicit cognition. The authors examined in 4 studies whether correlations between implicit and explicit tests were influenced by the similarity in task demands (i.e., structural fit) and, hence, the processes engaged by each test. Using an affect misattribution procedure, they systematically varied the structural fit of implicit and explicit tests of racial attitudes. As test formats became more similar, the implicit-explicit correlation increased until it became higher than in most previous research. When tests differ in structure, they may underestimate the relationship between implicit and explicit cognition. The authors propose a solution that uses procedures to maximize structural fit.

  16. Implicit and explicit memory in survivors of chronic interpersonal violence.

    PubMed

    Minshew, Reese; D'Andrea, Wendy

    2015-01-01

    We investigated the relationship of implicit and explicit memory to a range of symptoms in a sample of 27 women with exposure to chronic interpersonal violence (IPV). Participants viewed the first 3 letters ("stems") of trauma-related, general threat, and neutral words; valenced words were matched with neutral words with the same stem. Free recall and a word-stem completion task were used to test explicit and implicit memory, respectively. Participants exhibited increased implicit memory for trauma-related words as compared with both general threat words and neutral "match" words. They also showed increased explicit memory for both general threat and trauma-related words. Finally, although neither implicit nor explicit memory was correlated with PTSD symptoms, implicit memory for trauma-related words was significantly correlated with symptoms associated with ongoing IPV. Interpersonal sensitivity, hostility, and alexithymia were significantly correlated with implicit, but not explicit, memory for trauma words. Somatization, dissociation, and alexithymia were negatively correlated with explicit, but not implicit, memory for general-threat words. These findings suggest that memory processes in survivors of IPV are closely related to the symptom profile associated with complex trauma. Exploring memory processes in survivors of IPV may lend unique insight into the development and maintenance of the symptom profile associated with IPV.

  17. Toward Accurate Modelling of Enzymatic Reactions: All Electron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate Mutase

    SciTech Connect

    Ishida, Toyokazu

    2008-09-17

    To further understand the catalytic role of the protein environment in the enzymatic process, the author has analyzed the reaction mechanism of the Claisen rearrangement of Bacillus subtilis chorismate mutase (BsCM). By introducing a new computational strategy that combines all-electron QM calculations with ab initio QM/MM modelings, it was possible to simulate the molecular interactions between the substrate and the protein environment. The electrostatic nature of the transition state stabilization was characterized by performing all-electron QM calculations based on the fragment molecular orbital technique for the entire enzyme.

  18. Moderators of the Relationship between Implicit and Explicit Evaluation

    PubMed Central

    Nosek, Brian A.

    2005-01-01

    Automatic and controlled modes of evaluation sometimes provide conflicting reports of the quality of social objects. This paper presents evidence for four moderators of the relationship between automatic (implicit) and controlled (explicit) evaluations. Implicit and explicit preferences were measured for a variety of object pairs using a large sample. The average correlation was r = .36, and 52 of the 57 object pairs showed a significant positive correlation. Results of multilevel modeling analyses suggested that: (a) implicit and explicit preferences are related, (b) the relationship varies as a function of the objects assessed, and (c) at least four variables moderate the relationship – self-presentation, evaluative strength, dimensionality, and distinctiveness. The variables moderated implicit-explicit correspondence across individuals and accounted for much of the observed variation across content domains. The resulting model of the relationship between automatic and controlled evaluative processes is grounded in personal experience with the targets of evaluation. PMID:16316292

  19. 31 CFR 370.35 - Does the Bureau of the Public Debt accept all electronically signed transaction requests?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Does the Bureau of the Public Debt accept all electronically signed transaction requests? 370.35 Section 370.35 Money and Finance: Treasury Regulations Relating to Money and Finance (Continued) FISCAL SERVICE, DEPARTMENT OF THE TREASURY BUREAU OF...

  20. The Complexity of Explicit Constructions

    NASA Astrophysics Data System (ADS)

    Santhanam, Rahul

    The existence of extremal combinatorial objects, such as Ramsey graphs and expanders, is often shown using the probabilistic method. It is folklore that pseudo-random generators can be used to obtain explicit constructions of these objects, if the test that the object is extremal can be implemented in polynomial time. In this talk, we pose several questions geared towards initiating a structural approach to the relationship between extremal combinatorics and computational complexity. One motivation for such an approach is to understand better why circuit lower bounds are hard. Another is to formalize connections between the two areas, so that progress in one leads automatically to progress in the other.

  1. Frozen core potential scheme with a relativistic electronic Hamiltonian: Theoretical connection between the model potential and all-electron treatments

    NASA Astrophysics Data System (ADS)

    Seino, Junji; Tarumi, Moto; Nakai, Hiromi

    2014-01-01

    This Letter proposes an accurate scheme using frozen core orbitals, called the frozen core potential (FCP) method, to theoretically connect model potential calculations to all-electron (AE) ones. The present scheme is based on the Huzinaga-Cantu equation combined with spin-free relativistic Douglas-Kroll-Hess Hamiltonians. The local unitary transformation scheme for efficiently constructing the Hamiltonian produces a seamless extension to the FCP method in a relativistic framework. Numerical applications to coinage diatomic molecules illustrate the high accuracy of this FCP method, as compared to AE calculations. Furthermore, the efficiency of the FCP method is also confirmed by these calculations.

  2. Understanding Models: An Explicit Path

    NASA Astrophysics Data System (ADS)

    Wade, P. D.

    2003-12-01

    Models consist of representations of the "real" world \\(Giere, 1988\\). Visual models, including 3-D representations, diagrams, images and photos are a dominant feature of science courses. However, the use and limitations of models is seldom explicitly taught. Results from a survey assessing students' 1. knowledge of what models are, 2. ability to understand what a model illustrates as well as describe its specific parts, and 3. ability to discuss the use and limitations \\(or distortions\\) of a model, suggest students' do not have a fundamental understanding of models. In an undergraduate Earth systems course and a science methods education course an explicit instructional approach is used which enhances students' abilities to understand and use models. The approach requires students to; 1. describe each component of a given model, 2. discuss what the model illustrates, 3. describe how the model is used and 4. discuss the limitations of the model. This approach aids the instructor in targeting specific areas of weakness in students' abilities to use models. Using this approach, students' abilities to understand and use models has increased. Additionally preservice teachers have an increased awareness that models can be misinterpreted by students which can lead to misconceptions.

  3. Attitude importance as a moderator of the relationship between implicit and explicit attitude measures.

    PubMed

    Karpinski, Andrew; Steinman, Ross B; Hilton, James L

    2005-07-01

    The authors examined attitude importance as a moderator of the relationship between the Implicit Association Test (IAT) and explicit attitude measures. In Study 1 (N = 194), as ratings of attitude importance regarding the 2000 presidential election increased, the strength of the relationship between a Bush-Gore IAT and explicit attitude measures also increased. Study 2 provided a conceptual replication of these results using attitudes toward Coke and Pepsi (N = 112). In addition, across both studies, explicit attitude measures were better predictors of deliberative behaviors than IAT scores. In Study 3 (N = 77), the authors examined the role of elaboration as a mechanism by which attitude importance may moderate IAT-explicit attitude correlations. As predicted, increased elaboration resulted in stronger IAT-explicit attitude correlations. Other possible mechanisms by which attitude importance may moderate the IAT-explicit attitude relationship also are discussed. PMID:15951366

  4. Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations.

    PubMed

    Kuwahara, Riichi; Tadokoro, Yoichi; Ohno, Kaoru

    2014-08-28

    In this paper, we calculate kinetic and potential energy contributions to the electronic ground-state total energy of several isolated atoms (He, Be, Ne, Mg, Ar, and Ca) by using the local density approximation (LDA) in density functional theory, the Hartree-Fock approximation (HFA), and the self-consistent GW approximation (GWA). To this end, we have implemented self-consistent HFA and GWA routines in our all-electron mixed basis code, TOMBO. We confirm that virial theorem is fairly well satisfied in all of these approximations, although the resulting eigenvalue of the highest occupied molecular orbital level, i.e., the negative of the ionization potential, is in excellent agreement only in the case of the GWA. We find that the wave function of the lowest unoccupied molecular orbital level of noble gas atoms is a resonating virtual bound state, and that of the GWA spreads wider than that of the LDA and thinner than that of the HFA.

  5. All-electron first-principles GW+Bethe-Salpeter calculation for optical absorption spectra of sodium clusters

    SciTech Connect

    Noguchi, Yoshifumi; Ohno, Kaoru

    2010-04-15

    The optical absorption spectra of sodium clusters (Na{sub 2n}, n{<=} 4) are calculated by using an all-electron first-principles GW+Bethe-Salpeter method with the mixed-basis approach within the Tamm-Dancoff approximation. In these small systems, the excitonic effect strongly affects the optical properties due to the confinement of exciton in the small system size. The present state-of-the-art method treats the electron-hole two-particle Green's function by incorporating the ladder diagrams up to the infinite order and therefore takes into account the excitonic effect in a good approximation. We check the accuracy of the present method by comparing the resulting spectra with experiments. In addition, the effect of delocalization in particular in the lowest unoccupied molecular orbital in the GW quasiparticle wave function is also discussed by rediagonalizing the Dyson equation.

  6. Validity of virial theorem in all-electron mixed basis density functional, Hartree–Fock, and GW calculations

    SciTech Connect

    Kuwahara, Riichi; Tadokoro, Yoichi; Ohno, Kaoru

    2014-08-28

    In this paper, we calculate kinetic and potential energy contributions to the electronic ground-state total energy of several isolated atoms (He, Be, Ne, Mg, Ar, and Ca) by using the local density approximation (LDA) in density functional theory, the Hartree–Fock approximation (HFA), and the self-consistent GW approximation (GWA). To this end, we have implemented self-consistent HFA and GWA routines in our all-electron mixed basis code, TOMBO. We confirm that virial theorem is fairly well satisfied in all of these approximations, although the resulting eigenvalue of the highest occupied molecular orbital level, i.e., the negative of the ionization potential, is in excellent agreement only in the case of the GWA. We find that the wave function of the lowest unoccupied molecular orbital level of noble gas atoms is a resonating virtual bound state, and that of the GWA spreads wider than that of the LDA and thinner than that of the HFA.

  7. All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals

    NASA Astrophysics Data System (ADS)

    Knuth, Franz; Carbogno, Christian; Atalla, Viktor; Blum, Volker; Scheffler, Matthias

    2015-05-01

    We derive and implement the strain derivatives of the total energy of solids, i.e., the analytic stress tensor components, in an all-electron, numeric atom-centered orbital based density-functional formalism. We account for contributions that arise in the semi-local approximation (LDA/GGA) as well as in the generalized Kohn-Sham case, in which a fraction of exact exchange (hybrid functionals) is included. In this work, we discuss the details of the implementation including the numerical corrections for sparse integrations grids which allow to produce accurate results. We validate the implementation for a variety of test cases by comparing to strain derivatives performed via finite differences. Additionally, we include the detailed definition of the overlapping atom-centered integration formalism used in this work to obtain total energies and their derivatives.

  8. Neural Correlates of Contextual Cueing Are Modulated by Explicit Learning

    ERIC Educational Resources Information Center

    Westerberg, Carmen E.; Miller, Brennan B.; Reber, Paul J.; Cohen, Neal J.; Paller, Ken A.

    2011-01-01

    Contextual cueing refers to the facilitated ability to locate a particular visual element in a scene due to prior exposure to the same scene. This facilitation is thought to reflect implicit learning, as it typically occurs without the observer's knowledge that scenes repeat. Unlike most other implicit learning effects, contextual cueing can be…

  9. Explicit Logic Circuits Discriminate Neural States

    PubMed Central

    Yoder, Lane

    2009-01-01

    The magnitude and apparent complexity of the brain's connectivity have left explicit networks largely unexplored. As a result, the relationship between the organization of synaptic connections and how the brain processes information is poorly understood. A recently proposed retinal network that produces neural correlates of color vision is refined and extended here to a family of general logic circuits. For any combination of high and low activity in any set of neurons, one of the logic circuits can receive input from the neurons and activate a single output neuron whenever the input neurons have the given activity state. The strength of the output neuron's response is a measure of the difference between the smallest of the high inputs and the largest of the low inputs. The networks generate correlates of known psychophysical phenomena. These results follow directly from the most cost-effective architectures for specific logic circuits and the minimal cellular capabilities of excitation and inhibition. The networks function dynamically, making their operation consistent with the speed of most brain functions. The networks show that well-known psychophysical phenomena do not require extraordinarily complex brain structures, and that a single network architecture can produce apparently disparate phenomena in different sensory systems. PMID:19127299

  10. A divide and conquer real-space approach for all-electron molecular electrostatic potentials and interaction energies.

    PubMed

    Losilla, S A; Sundholm, D

    2012-06-01

    A computational scheme to perform accurate numerical calculations of electrostatic potentials and interaction energies for molecular systems has been developed and implemented. Molecular electron and energy densities are divided into overlapping atom-centered atomic contributions and a three-dimensional molecular remainder. The steep nuclear cusps are included in the atom-centered functions making the three-dimensional remainder smooth enough to be accurately represented with a tractable amount of grid points. The one-dimensional radial functions of the atom-centered contributions as well as the three-dimensional remainder are expanded using finite element functions. The electrostatic potential is calculated by integrating the Coulomb potential for each separate density contribution, using our tensorial finite element method for the three-dimensional remainder. We also provide algorithms to compute accurate electron-electron and electron-nuclear interactions numerically using the proposed partitioning. The methods have been tested on all-electron densities of 18 reasonable large molecules containing elements up to Zn. The accuracy of the calculated Coulomb interaction energies is in the range of 10(-3) to 10(-6) E(h) when using an equidistant grid with a step length of 0.05 a(0).

  11. Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations.

    PubMed

    Kuwahara, Riichi; Tadokoro, Yoichi; Ohno, Kaoru

    2014-08-28

    In this paper, we calculate kinetic and potential energy contributions to the electronic ground-state total energy of several isolated atoms (He, Be, Ne, Mg, Ar, and Ca) by using the local density approximation (LDA) in density functional theory, the Hartree-Fock approximation (HFA), and the self-consistent GW approximation (GWA). To this end, we have implemented self-consistent HFA and GWA routines in our all-electron mixed basis code, TOMBO. We confirm that virial theorem is fairly well satisfied in all of these approximations, although the resulting eigenvalue of the highest occupied molecular orbital level, i.e., the negative of the ionization potential, is in excellent agreement only in the case of the GWA. We find that the wave function of the lowest unoccupied molecular orbital level of noble gas atoms is a resonating virtual bound state, and that of the GWA spreads wider than that of the LDA and thinner than that of the HFA. PMID:25173006

  12. Real-space electronic structure calculations with full-potential all-electron precision for transition metals

    NASA Astrophysics Data System (ADS)

    Ono, Tomoya; Heide, Marcus; Atodiresei, Nicolae; Baumeister, Paul; Tsukamoto, Shigeru; Blügel, Stefan

    2010-11-01

    We have developed an efficient computational scheme utilizing the real-space finite-difference formalism and the projector augmented-wave (PAW) method to perform precise first-principles electronic-structure simulations based on the density-functional theory for systems containing transition metals with a modest computational effort. By combining the advantages of the time-saving double-grid technique and the Fourier-filtering procedure for the projectors of pseudopotentials, we can overcome the egg box effect in the computations even for first-row elements and transition metals, which is a problem of the real-space finite-difference formalism. In order to demonstrate the potential power in terms of precision and applicability of the present scheme, we have carried out simulations to examine several bulk properties and structural energy differences between different bulk phases of transition metals and have obtained excellent agreement with the results of other precise first-principles methods such as a plane-wave-based PAW method and an all-electron full-potential linearized augmented plane-wave (FLAPW) method.

  13. All-electronic droplet generation on-chip with real-time feedback control for EWOD digital microfluidics.

    PubMed

    Gong, Jian; Kim, Chang-Jin C J

    2008-06-01

    Electrowetting-on-dielectric (EWOD) actuation enables digital (or droplet) microfluidics where small packets of liquids are manipulated on a two-dimensional surface. Due to its mechanical simplicity and low energy consumption, EWOD holds particular promise for portable systems. To improve volume precision of the droplets, which is desired for quantitative applications such as biochemical assays, existing practices would require near-perfect device fabrication and operation conditions unless the droplets are generated under feedback control by an extra pump setup off of the chip. In this paper, we develop an all-electronic (i.e., no ancillary pumping) real-time feedback control of on-chip droplet generation. A fast voltage modulation, capacitance sensing, and discrete-time PID feedback controller are integrated on the operating electronic board. A significant improvement is obtained in the droplet volume uniformity, compared with an open loop control as well as the previous feedback control employing an external pump. Furthermore, this new capability empowers users to prescribe the droplet volume even below the previously considered minimum, allowing, for example, 1 : x (x < 1) mixing, in comparison to the previously considered n : m mixing (i.e., n and m unit droplets).

  14. ALL-ELECTRONIC DROPLET GENERATION ON-CHIP WITH REAL-TIME FEEDBACK CONTROL FOR EWOD DIGITIAL MICROFLUIDICS

    PubMed Central

    Gong, Jian; Kim, Chang-Jin “CJ”

    2009-01-01

    Electrowetting-on-dielectric (EWOD) actuation enables digital (or droplet) microfluidics where small packets of liquids are manipulated on a two-dimensional surface. Due to its mechanical simplicity and low energy consumption, EWOD holds particular promise for portable systems. To improve volume precision of the droplets, which is desired for quantitative applications such as biochemical assays, existing practices would require near-perfect device fabricaion and operation conditions unless the droplets are generated under feedback control by an extra pump setup off of the chip. In this paper, we develop an all-electronic (i.e., no ancillary pumping) real-time feedback control of on-chip droplet generation. A fast voltage modulation, capacitance sensing, and discrete-time PID feedback controller are integrated on the operating electronic board. A significant improvement is obtained in the droplet volume uniformity, compared with an open loop control as well as the previous feedback control employing an external pump. Furthermore, this new capability empowers users to prescribe the droplet volume even below the previously considered minimum, allowing, for example, 1:x (x < 1) mixing, in comparison to the previously considered n:m mixing (i.e., n and m unit droplets). PMID:18497909

  15. Advancing Efficient All-Electron Electronic Structure Methods Based on Numeric Atom-Centered Orbitals for Energy Related Materials

    NASA Astrophysics Data System (ADS)

    Blum, Volker

    This talk describes recent advances of a general, efficient, accurate all-electron electronic theory approach based on numeric atom-centered orbitals; emphasis is placed on developments related to materials for energy conversion and their discovery. For total energies and electron band structures, we show that the overall accuracy is on par with the best benchmark quality codes for materials, but scalable to large system sizes (1,000s of atoms) and amenable to both periodic and non-periodic simulations. A recent localized resolution-of-identity approach for the Coulomb operator enables O (N) hybrid functional based descriptions of the electronic structure of non-periodic and periodic systems, shown for supercell sizes up to 1,000 atoms; the same approach yields accurate results for many-body perturbation theory as well. For molecular systems, we also show how many-body perturbation theory for charged and neutral quasiparticle excitation energies can be efficiently yet accurately applied using basis sets of computationally manageable size. Finally, the talk highlights applications to the electronic structure of hybrid organic-inorganic perovskite materials, as well as to graphene-based substrates for possible future transition metal compound based electrocatalyst materials. All methods described here are part of the FHI-aims code. VB gratefully acknowledges contributions by numerous collaborators at Duke University, Fritz Haber Institute Berlin, TU Munich, USTC Hefei, Aalto University, and many others around the globe.

  16. Implicit and Explicit Instruction of Spelling Rules

    ERIC Educational Resources Information Center

    Kemper, M. J.; Verhoeven, L.; Bosman, A. M. T.

    2012-01-01

    The study aimed to compare the differential effectiveness of explicit and implicit instruction of two Dutch spelling rules. Students with and without spelling disabilities were instructed a spelling rule either implicitly or explicitly in two experiments. Effects were tested in a pretest-intervention-posttest control group design. Experiment 1…

  17. Implicit and Explicit Exercise and Sedentary Identity

    ERIC Educational Resources Information Center

    Berry, Tanya R.; Strachan, Shaelyn M.

    2012-01-01

    We examined the relationship between implicit and explicit "exerciser" and "sedentary" self-identity when activated by stereotypes. Undergraduate participants (N = 141) wrote essays about university students who either liked to exercise or engage in sedentary activities. This was followed by an implicit identity task and an explicit measure of…

  18. Thinking Styles in Implicit and Explicit Learning

    ERIC Educational Resources Information Center

    Xie, Qiuzhi; Gao, Xiangping; King, Ronnel B.

    2013-01-01

    This study investigated whether individual differences in thinking styles influence explicit and implicit learning. Eighty-seven university students in China participated in this study. Results indicated that performance in the explicit learning condition was positively associated with Type I thinking styles (i.e. legislative and liberal styles)…

  19. A theory of implicit and explicit knowledge.

    PubMed

    Dienes, Z; Perner, J

    1999-10-01

    The implicit-explicit distinction is applied to knowledge representations. Knowledge is taken to be an attitude towards a proposition which is true. The proposition itself predicates a property to some entity. A number of ways in which knowledge can be implicit or explicit emerge. If a higher aspect is known explicitly then each lower one must also be known explicitly. This partial hierarchy reduces the number of ways in which knowledge can be explicit. In the most important type of implicit knowledge, representations merely reflect the property of objects or events without predicating them of any particular entity. The clearest cases of explicit knowledge of a fact are representations of one's own attitude of knowing that fact. These distinctions are discussed in their relationship to similar distinctions such as procedural-declarative, conscious-unconscious, verbalizable-nonverbalizable, direct-indirect tests, and automatic-voluntary control. This is followed by an outline of how these distinctions can be used to integrate and relate the often divergent uses of the implicit-explicit distinction in different research areas. We illustrate this for visual perception, memory, cognitive development, and artificial grammar learning.

  20. Implicit and explicit attitudes towards lesbians and gay men.

    PubMed

    Steffens, Melanie C

    2005-01-01

    Attitudes towards lesbians and gay men, as assessed with questionnaires, have become more and more positive in the last decades. An open question is, however, whether that trend reflects true change or rather a growing reluctance to admit negative attitudes (to others and self). New procedures measuring implicit attitudes may help find an answer. In three studies with 208 students at a German university, attitudes towards lesbians and gay men were measured with explicit scales and with an Implicit Association Test (Greenwald, McGhee, & Schwartz, 1998) adapted for that purpose. Explicit attitudes were very positive. However, implicit attitudes were relatively negative instead, except for female participants' implicit attitudes towards lesbians which were repeatedly as positive as were their attitudes towards heterosexuals. The internal consistencies of the implicit tests were exemplary. Correlations with sexual orientation as well as with explicit homosexuality-related and gender-related attitudes attested to their validity. However, context effects were found for different implicit attitudes measured in close succession, and correlations of implicit homosexuality-related and gender-related attitudes could not be detected.

  1. Modeling Active Aging and Explicit Memory: An Empirical Study.

    PubMed

    Ponce de León, Laura Ponce; Lévy, Jean Pierre; Fernández, Tomás; Ballesteros, Soledad

    2015-08-01

    The rapid growth of the population of older adults and their concomitant psychological status and health needs have captured the attention of researchers and health professionals. To help fill the void of literature available to social workers interested in mental health promotion and aging, the authors provide a model for active aging that uses psychosocial variables. Structural equation modeling was used to examine the relationships among the latent variables of the state of explicit memory, the perception of social resources, depression, and the perception of quality of life in a sample of 184 older adults. The results suggest that explicit memory is not a direct indicator of the perception of quality of life, but it could be considered an indirect indicator as it is positively correlated with perception of social resources and negatively correlated with depression. These last two variables influenced the perception of quality of life directly, the former positively and the latter negatively. The main outcome suggests that the perception of social support improves explicit memory and quality of life and reduces depression in active older adults. The findings also suggest that gerontological professionals should design memory training programs, improve available social resources, and offer environments with opportunities to exercise memory.

  2. Material model library for explicit numerical codes

    SciTech Connect

    Hofmann, R.; Dial, B.W.

    1982-08-01

    A material model logic structure has been developed which is useful for most explicit finite-difference and explicit finite-element Lagrange computer codes. This structure has been implemented and tested in the STEALTH codes to provide an example for researchers who wish to implement it in generically similar codes. In parallel with these models, material parameter libraries have been created for the implemented models for materials which are often needed in DoD applications.

  3. Superadditive correlation.

    PubMed

    Giraud, B G; Heumann, J M; Lapedes, A S

    1999-05-01

    The fact that correlation does not imply causation is well known. Correlation between variables at two sites does not imply that the two sites directly interact, because, e.g., correlation between distant sites may be induced by chaining of correlation between a set of intervening, directly interacting sites. Such "noncausal correlation" is well understood in statistical physics: an example is long-range order in spin systems, where spins which have only short-range direct interactions, e.g., the Ising model, display correlation at a distance. It is less well recognized that such long-range "noncausal" correlations can in fact be stronger than the magnitude of any causal correlation induced by direct interactions. We call this phenomenon superadditive correlation (SAC). We demonstrate this counterintuitive phenomenon by explicit examples in (i) a model spin system and (ii) a model continuous variable system, where both models are such that two variables have multiple intervening pathways of indirect interaction. We apply the technique known as decimation to explain SAC as an additive, constructive interference phenomenon between the multiple pathways of indirect interaction. We also explain the effect using a definition of the collective mode describing the intervening spin variables. Finally, we show that the SAC effect is mirrored in information theory, and is true for mutual information measures in addition to correlation measures. Generic complex systems typically exhibit multiple pathways of indirect interaction, making SAC a potentially widespread phenomenon. This affects, e.g., attempts to deduce interactions by examination of correlations, as well as, e.g., hierarchical approximation methods for multivariate probability distributions, which introduce parameters based on successive orders of correlation. PMID:11969452

  4. Predictive models of implicit and explicit attitudes.

    PubMed

    Perugini, Marco

    2005-03-01

    Explicit attitudes have long been assumed to be central factors influencing behaviour. A recent stream of studies has shown that implicit attitudes, typically measured with the Implicit Association Test (IAT), can also predict a significant range of behaviours. This contribution is focused on testing different predictive models of implicit and explicit attitudes. In particular, three main models can be derived from the literature: (a) additive (the two types of attitudes explain different portion of variance in the criterion), (b) double dissociation (implicit attitudes predict spontaneous whereas explicit attitudes predict deliberative behaviour), and (c) multiplicative (implicit and explicit attitudes interact in influencing behaviour). This paper reports two studies testing these models. The first study (N = 48) is about smoking behaviour, whereas the second study (N = 109) is about preferences for snacks versus fruit. In the first study, the multiplicative model is supported, whereas the double dissociation model is supported in the second study. The results are discussed in light of the importance of focusing on different patterns of prediction when investigating the directive influence of implicit and explicit attitudes on behaviours. PMID:15901390

  5. Facial structure is indicative of explicit support for prejudicial beliefs.

    PubMed

    Hehman, Eric; Leitner, Jordan B; Deegan, Matthew P; Gaertner, Samuel L

    2013-03-01

    We present three studies examining whether male facial width-to-height ratio (fWHR) is correlated with racial prejudice and whether observers are sensitive to fWHR when assessing prejudice in other people. Our results indicate that males with a greater fWHR are more likely to explicitly endorse racially prejudicial beliefs, though fWHR was unrelated to implicit bias. Participants evaluated targets with a greater fWHR as more likely to be prejudiced and accurately evaluated the degree to which targets reported prejudicial attitudes. Finally, compared with majority-group members, racial-minority participants reported greater motivation to accurately evaluate prejudice. This motivation mediated the relationship between minority- or majority-group membership and the accuracy of evaluations of prejudice, which indicates that motivation augments sensitivity to fWHR. Together, the results of these three studies demonstrate that fWHR is a reliable indicator of explicitly endorsed racial prejudice and that observers can use fWHR to accurately assess another person's explicit prejudice.

  6. Facial structure is indicative of explicit support for prejudicial beliefs.

    PubMed

    Hehman, Eric; Leitner, Jordan B; Deegan, Matthew P; Gaertner, Samuel L

    2013-03-01

    We present three studies examining whether male facial width-to-height ratio (fWHR) is correlated with racial prejudice and whether observers are sensitive to fWHR when assessing prejudice in other people. Our results indicate that males with a greater fWHR are more likely to explicitly endorse racially prejudicial beliefs, though fWHR was unrelated to implicit bias. Participants evaluated targets with a greater fWHR as more likely to be prejudiced and accurately evaluated the degree to which targets reported prejudicial attitudes. Finally, compared with majority-group members, racial-minority participants reported greater motivation to accurately evaluate prejudice. This motivation mediated the relationship between minority- or majority-group membership and the accuracy of evaluations of prejudice, which indicates that motivation augments sensitivity to fWHR. Together, the results of these three studies demonstrate that fWHR is a reliable indicator of explicitly endorsed racial prejudice and that observers can use fWHR to accurately assess another person's explicit prejudice. PMID:23389425

  7. Accelerating an iterative process by explicit annihilation

    NASA Technical Reports Server (NTRS)

    Jespersen, D. C.; Buning, P. G.

    1985-01-01

    A slowly convergent stationary iterative process can be accelerated by explicitly annihilating (i.e., eliminating) the dominant eigenvector component of the error. The dominant eigenvalue or complex pair of eigenvalues can be estimated from the solution during the iteration. The corresponding eigenvector or complex pair of eigenvectors can then be annihilated by applying an explicit Richardson process over the basic iterative method. This can be done entirely in real arithmetic by analytically combining the complex conjugate annihilation steps. The technique is applied to an implicit algorithm for the calculation of two dimensional steady transonic flow over a circular cylinder using the equations of compressible inviscid gas dynamics. This demonstrates the use of explicit annihilation on a nonlinear problem.

  8. Accelerating an iterative process by explicit annihilation

    NASA Technical Reports Server (NTRS)

    Jespersen, D. C.; Buning, P. G.

    1983-01-01

    A slowly convergent stationary iterative process can be accelerated by explicitly annihilating (i.e., eliminating) the dominant eigenvector component of the error. The dominant eigenvalue or complex pair of eigenvalues can be estimated from the solution during the iteration. The corresponding eigenvector or complex pair of eigenvectors can then be annihilated by applying an explicit Richardson process over the basic iterative method. This can be done entirely in real arithmetic by analytically combining the complex conjugate annihilation steps. The technique is applied to an implicit algorithm for the calculation of two dimensional steady transonic flow over a circular cylinder using the equations of compressible inviscid gas dynamics. This demonstrates the use of explicit annihilation on a nonlinear problem.

  9. Electromagnetic radiation under explicit symmetry breaking.

    PubMed

    Sinha, Dhiraj; Amaratunga, Gehan A J

    2015-04-10

    We report our observation that radiation from a system of accelerating charges is possible only when there is explicit breaking of symmetry in the electric field in space within the spatial configuration of the radiating system. Under symmetry breaking, current within an enclosed area around the radiating structure is not conserved at a certain instant of time resulting in radiation in free space. Electromagnetic radiation from dielectric and piezoelectric material based resonators are discussed in this context. Finally, it is argued that symmetry of a resonator of any form can be explicitly broken to create a radiating antenna.

  10. Electromagnetic radiation under explicit symmetry breaking.

    PubMed

    Sinha, Dhiraj; Amaratunga, Gehan A J

    2015-04-10

    We report our observation that radiation from a system of accelerating charges is possible only when there is explicit breaking of symmetry in the electric field in space within the spatial configuration of the radiating system. Under symmetry breaking, current within an enclosed area around the radiating structure is not conserved at a certain instant of time resulting in radiation in free space. Electromagnetic radiation from dielectric and piezoelectric material based resonators are discussed in this context. Finally, it is argued that symmetry of a resonator of any form can be explicitly broken to create a radiating antenna. PMID:25910163

  11. Electromagnetic Radiation under Explicit Symmetry Breaking

    NASA Astrophysics Data System (ADS)

    Sinha, Dhiraj; Amaratunga, Gehan A. J.

    2015-04-01

    We report our observation that radiation from a system of accelerating charges is possible only when there is explicit breaking of symmetry in the electric field in space within the spatial configuration of the radiating system. Under symmetry breaking, current within an enclosed area around the radiating structure is not conserved at a certain instant of time resulting in radiation in free space. Electromagnetic radiation from dielectric and piezoelectric material based resonators are discussed in this context. Finally, it is argued that symmetry of a resonator of any form can be explicitly broken to create a radiating antenna.

  12. Explicit Form Focus Instruction: The Effects on Implicit and Explicit Knowledge of ESL Learners

    ERIC Educational Resources Information Center

    Ebadi, Mandana Rohollahzadeh; Saad, Mohd Rashid Mohd; Abedalaziz, Nabil

    2014-01-01

    The study examines the effect of explicit form focus instruction and specifically metalinguistic information feedback on the development of both implicit and explicit knowledge of adult English as a Second Language (ESL) learners. Ninety-one subjects at the lower intermediate level were carefully selected through placement test at one of the…

  13. From Asking to Answering: Making Questions Explicit

    ERIC Educational Resources Information Center

    Washington, Gene

    2006-01-01

    "From Asking To Answering: Making Questions Explicit" describes a pedagogical procedure the author has used in writing classes (expository, technical and creative) to help students better understand the purpose, and effect, of text-questions. It accomplishes this by means of thirteen discrete categories (e.g., CLAIMS, COMMITMENT, ANAPHORA, or…

  14. ECO 202: Explicit Expressions of Ecological Protection

    EPA Science Inventory

    A critical early step in conducting an ecological risk assessment is deciding explicitly which aspects of the environment will be selected for evaluation. This step is often challenging; for example, because of the remarkable diversity of species, ecological communities and ecol...

  15. Uncertainty in spatially explicit animal dispersal models

    USGS Publications Warehouse

    Mooij, Wolf M.; DeAngelis, Donald L.

    2003-01-01

    Uncertainty in estimates of survival of dispersing animals is a vexing difficulty in conservation biology. The current notion is that this uncertainty decreases the usefulness of spatially explicit population models in particular. We examined this problem by comparing dispersal models of three levels of complexity: (1) an event-based binomial model that considers only the occurrence of mortality or arrival, (2) a temporally explicit exponential model that employs mortality and arrival rates, and (3) a spatially explicit grid-walk model that simulates the movement of animals through an artificial landscape. Each model was fitted to the same set of field data. A first objective of the paper is to illustrate how the maximum-likelihood method can be used in all three cases to estimate the means and confidence limits for the relevant model parameters, given a particular set of data on dispersal survival. Using this framework we show that the structure of the uncertainty for all three models is strikingly similar. In fact, the results of our unified approach imply that spatially explicit dispersal models, which take advantage of information on landscape details, suffer less from uncertainly than do simpler models. Moreover, we show that the proposed strategy of model development safeguards one from error propagation in these more complex models. Finally, our approach shows that all models related to animal dispersal, ranging from simple to complex, can be related in a hierarchical fashion, so that the various approaches to modeling such dispersal can be viewed from a unified perspective.

  16. Fantasies and Exposure to Sexually Explicit Magazines.

    ERIC Educational Resources Information Center

    Malamuth, Neil M.; McIlwraith, Robert D.

    1988-01-01

    Reports a study focusing on the relationship between frequency of exposure to sexually explicit magazines and the frequency of sexual and hostile-aggressive fantasies. Finds no significant relationships for "Playboy" readers, but "Penthouse" readership was best predicted by the interaction of sexual and hostile fantasies. (MS)

  17. Children's Tacit and Explicit Understandings of Dinosaurs.

    ERIC Educational Resources Information Center

    Barba, Robertta H.

    The purpose of this cross-age study was to investigate elementary students' (N=120) tacit and explicit understandings of dinosaurs. Detailed analysis of audiotaped interviews of children's performance during a Piagetian-type clinical interview suggests that children's conceptual understandings of dinosaurs are first developed at a tacit level from…

  18. Orchestrating Semiotic Resources in Explicit Strategy Instruction

    ERIC Educational Resources Information Center

    Shanahan, Lynn E.; Flury-Kashmanian, Caroline

    2014-01-01

    Research and pedagogical information provided to teachers on implementing explicit strategy instruction has primarily focused on teachers' speech, with limited attention to other modes of communication, such as gesture and artefacts. This interpretive case study investigates two teachers' use of different semiotic resources when introducing…

  19. Explicit Instruction in Core Reading Programs

    ERIC Educational Resources Information Center

    Reutzel, D. Ray; Child, Angela; Jones, Cindy D.; Clark, Sarah K.

    2014-01-01

    The purpose of this study was to conduct a content analysis of the types and occurrences of explicit instructional moves recommended for teaching five essentials of effective reading instruction in grades 1, 3, and 5 core reading program teachers' editions in five widely marketed core reading programs. Guided practice was the most frequently…

  20. Explicit Instruction Elements in Core Reading Programs

    ERIC Educational Resources Information Center

    Child, Angela R.

    2012-01-01

    Classroom teachers are provided instructional recommendations for teaching reading from their adopted core reading programs (CRPs). Explicit instruction elements or what is also called instructional moves, including direct explanation, modeling, guided practice, independent practice, discussion, feedback, and monitoring, were examined within CRP…

  1. Sleep Enhances Explicit Recollection in Recognition Memory

    ERIC Educational Resources Information Center

    Drosopoulos, Spyridon; Wagner, Ullrich; Born, Jan

    2005-01-01

    Recognition memory is considered to be supported by two different memory processes, i.e., the explicit recollection of information about a previous event and an implicit process of recognition based on a contextual sense of familiarity. Both types of memory supposedly rely on distinct memory systems. Sleep is known to enhance the consolidation of…

  2. Cognitive conflict without explicit conflict monitoring in a dynamical agent.

    PubMed

    Ward, Robert; Ward, Ronnie

    2006-11-01

    We examine mechanisms for resolving cognitive conflict in an embodied, situated, and dynamic agent, developed through an evolutionary learning process. The agent was required to solve problems of response conflict in a dual-target "catching" task, focusing response on one of the targets while ignoring the other. Conflict in the agent was revealed at the behavioral level in terms of increased latencies to the second target. This behavioral interference was correlated to peak violations of the network's stable state equation. At the level of the agent's neural network, peak violations were also correlated to periods of disagreement in source inputs to the agent's motor effectors. Despite observing conflict at these numerous levels, we did not find any explicit conflict monitoring mechanisms within the agent. We instead found evidence of a distributed conflict management system, characterized by competitive sources within the network. In contrast to the conflict monitoring hypothesis [Botvinick, M. M., Braver, T. S., Barch, D. M., Carter, C. S., & Cohen, J. D. (2001). Conflict monitoring and cognitive control. Psychological Review, 108(3), 624-652], this agent demonstrates that resolution of cognitive conflict does not require explicit conflict monitoring. We consider the implications of our results for the conflict monitoring hypothesis.

  3. Extrapolated implicit-explicit time stepping.

    SciTech Connect

    Constantinescu, E. M.; Sandu, A.; Mathematics and Computer Science; Virginia Polytechnic Inst. and State Univ.

    2010-01-01

    This paper constructs extrapolated implicit-explicit time stepping methods that allow one to efficiently solve problems with both stiff and nonstiff components. The proposed methods are based on Euler steps and can provide very high order discretizations of ODEs, index-1 DAEs, and PDEs in the method-of-lines framework. Implicit-explicit schemes based on extrapolation are simple to construct, easy to implement, and straightforward to parallelize. This work establishes the existence of perturbed asymptotic expansions of global errors, explains the convergence orders of these methods, and studies their linear stability properties. Numerical results with stiff ODE, DAE, and PDE test problems confirm the theoretical findings and illustrate the potential of these methods to solve multiphysics multiscale problems.

  4. Implicit and Explicit Spacecraft Gyro Calibration

    NASA Technical Reports Server (NTRS)

    Bar-Itzhack, Itzhack Y.; Harman, Richard R.

    2004-01-01

    This paper presents a comparison between two approaches to sensor calibration. According to one approach, called explicit, an estimator compares the sensor readings to reference readings, and uses the difference between the two to estimate the calibration parameters. According to the other approach, called implicit, the sensor error is integrated to form a different entity, which is then compared with a reference quantity of this entity, and the calibration parameters are inferred from the difference. In particular this paper presents the comparison between these approaches when applied to in-flight spacecraft gyro calibration. Reference spacecraft rate is needed for gyro calibration when using the explicit approach; however, such reference rates are not readily available for in-flight calibration. Therefore the calibration parameter-estimator is expanded to include the estimation of that reference rate, which is based on attitude measurements in the form of attitude-quaternion. A comparison between the two approaches is made using simulated data. It is concluded that the performances of the two approaches are basically comparable. Sensitivity tests indicate that the explicit filter results are essentially insensitive to variations in given spacecraft dynamics model parameters.

  5. Intersection Type Systems and Explicit Substitutions Calculi

    NASA Astrophysics Data System (ADS)

    Ventura, Daniel Lima; Ayala-Rincón, Mauricio; Kamareddine, Fairouz

    The λ-calculus with de Bruijn indices, called λ dB , assembles each α-class of λ-terms into a unique term, using indices instead of variable names. Intersection types provide finitary type polymorphism satisfying important properties like principal typing, which allows the type system to include features such as data abstraction (modularity) and separate compilation. To be closer to computation and to simplify the formalisation of the atomic operations involved in β-contractions, several explicit substitution calculi were developed most of which are written with de Bruijn indices. Although untyped and simply types versions of explicit substitution calculi are well investigated, versions with more elaborate type systems (e.g., with intersection types) are not. In previous work, we presented a version for λ dB of an intersection type system originally introduced to characterise principal typings for β-normal forms and provided the characterisation for this version. In this work we introduce intersection type systems for two explicit substitution calculi: the λσ and the λs e . These type system are based on a type system for λ dB and satisfy the basic property of subject reduction, which guarantees the preservation of types during computations.

  6. Approximating implicit and explicit mentalizing with two naturalistic video-based tasks in typical development and autism spectrum disorder.

    PubMed

    Rosenblau, Gabriela; Kliemann, Dorit; Heekeren, Hauke R; Dziobek, Isabel

    2015-04-01

    Individuals with autism spectrum disorder (ASD) have been proposed to show greater impairments in implicit than explicit mentalizing. To test this proposition, we developed two comparable naturalistic tasks for a performance-based approximation of implicit and explicit mentalizing in 28 individuals with ASD and 23 matched typically developed (TD) participants. Although both tasks were sensitive to the social impairments of individuals with ASD, implicit mentalizing was not more dysfunctional than explicit mentalizing. In TD participants, performance on the tasks did not correlate with each other, whereas in individuals with ASD they were highly correlated. These findings suggest that implicit and explicit mentalizing processes are separable in typical development. In contrast, in individuals with ASD implicit and explicit mentalizing processes are similarly impaired and closely linked suggesting a lack of developmental specification of these processes in ASD.

  7. A wavelet-based Projector Augmented-Wave (PAW) method: Reaching frozen-core all-electron precision with a systematic, adaptive and localized wavelet basis set

    NASA Astrophysics Data System (ADS)

    Rangel, T.; Caliste, D.; Genovese, L.; Torrent, M.

    2016-11-01

    We present a Projector Augmented-Wave (PAW) method based on a wavelet basis set. We implemented our wavelet-PAW method as a PAW library in the ABINIT package [http://www.abinit.org] and into BigDFT [http://www.bigdft.org]. We test our implementation in prototypical systems to illustrate the potential usage of our code. By using the wavelet-PAW method, we can simulate charged and special boundary condition systems with frozen-core all-electron precision. Furthermore, our work paves the way to large-scale and potentially order- N simulations within a PAW method.

  8. On spatially explicit models of cholera epidemics.

    PubMed

    Bertuzzo, E; Casagrandi, R; Gatto, M; Rodriguez-Iturbe, I; Rinaldo, A

    2010-02-01

    We generalize a recently proposed model for cholera epidemics that accounts for local communities of susceptibles and infectives in a spatially explicit arrangement of nodes linked by networks having different topologies. The vehicle of infection (Vibrio cholerae) is transported through the network links that are thought of as hydrological connections among susceptible communities. The mathematical tools used are borrowed from general schemes of reactive transport on river networks acting as the environmental matrix for the circulation and mixing of waterborne pathogens. Using the diffusion approximation, we analytically derive the speed of propagation for travelling fronts of epidemics on regular lattices (either one-dimensional or two-dimensional) endowed with uniform population density. Power laws are found that relate the propagation speed to the diffusion coefficient and the basic reproduction number. We numerically obtain the related, slower speed of epidemic spreading for more complex, yet realistic river structures such as Peano networks and optimal channel networks. The analysis of the limit case of uniformly distributed population sizes proves instrumental in establishing the overall conditions for the relevance of spatially explicit models. To that extent, the ratio between spreading and disease outbreak time scales proves the crucial parameter. The relevance of our results lies in the major differences potentially arising between the predictions of spatially explicit models and traditional compartmental models of the susceptible-infected-recovered (SIR)-like type. Our results suggest that in many cases of real-life epidemiological interest, time scales of disease dynamics may trigger outbreaks that significantly depart from the predictions of compartmental models.

  9. Explicit 3-D Hydrodynamic FEM Program

    2000-11-07

    DYNA3D is a nonlinear explicit finite element code for analyzing 3-D structures and solid continuum. The code is vectorized and available on several computer platforms. The element library includes continuum, shell, beam, truss and spring/damper elements to allow maximum flexibility in modeling physical problems. Many materials are available to represent a wide range of material behavior, including elasticity, plasticity, composites, thermal effects and rate dependence. In addition, DYNA3D has a sophisticated contact interface capability, includingmore » frictional sliding, single surface contact and automatic contact generation.« less

  10. Explicit BCJ numerators of nonlinear simga model

    NASA Astrophysics Data System (ADS)

    Du, Yi-Jian; Fu, Chih-Hao

    2016-09-01

    In this paper, we investigate the color-kinematics duality in nonlinear sigma model (NLSM). We present explicit polynomial expressions for the kinematic numerators (BCJ numerators). The calculation is done separately in two parametrization schemes of the theory using Kawai-Lewellen-Tye relation inspired technique, both lead to polynomial numerators. We summarize the calculation in each case into a set of rules that generates BCJ numerators for all multilplicities. In Cayley parametrization we find the numerator is described by a particularly simple formula solely in terms of momentum kernel.

  11. H2 and (H2)2 molecules with an ab initio optimization of wave functions in correlated state: electron-proton couplings and intermolecular microscopic parameters

    NASA Astrophysics Data System (ADS)

    Kądzielawa, Andrzej P.; Bielas, Agata; Acquarone, Marcello; Biborski, Andrzej; Maśka, Maciej M.; Spałek, Józef

    2014-12-01

    The hydrogen molecules H2 and {{≤ft( {{H}2} \\right)}2} are analyzed with electronic correlations taken into account between the 1s electrons in an exact manner. The optimal single-particle Slater orbitals are evaluated in the correlated state of H2 by combining their variational determination with the diagonalization of the full Hamiltonian in the second-quantization language. All electron-ion coupling constants are determined explicitly and their relative importance is discussed. Sizable zero-point motion amplitude and the corresponding energy are then evaluated by taking into account the anharmonic contributions up to the ninth order in the relative displacement of the ions from their static equilibrium value. The applicability of the model to solid molecular hydrogen is briefly analyzed by calculating intermolecular microscopic parameters for the 2× {{H}2} rectangular configuration, as well its ground state energy.

  12. How localized is ``local?'' Efficiency vs. accuracy of O(N) domain decomposition in local orbital based all-electron electronic structure theory

    NASA Astrophysics Data System (ADS)

    Havu, Vile; Blum, Volker; Scheffler, Matthias

    2007-03-01

    Numeric atom-centered local orbitals (NAO) are efficient basis sets for all-electron electronic structure theory. The locality of NAO's can be exploited to render (in principle) all operations of the self-consistency cycle O(N). This is straightforward for 3D integrals using domain decomposition into spatially close subsets of integration points, enabling critical computational savings that are effective from ˜tens of atoms (no significant overhead for smaller systems) and make large systems (100s of atoms) computationally feasible. Using a new all-electron NAO-based code,^1 we investigate the quantitative impact of exploiting this locality on two distinct classes of systems: Large light-element molecules [Alanine-based polypeptide chains (Ala)n], and compact transition metal clusters. Strict NAO locality is achieved by imposing a cutoff potential with an onset radius rc, and exploited by appropriately shaped integration domains (subsets of integration points). Conventional tight rc<= 3å have no measurable accuracy impact in (Ala)n, but introduce inaccuracies of 20-30 meV/atom in Cun. The domain shape impacts the computational effort by only 10-20 % for reasonable rc. ^1 V. Blum, R. Gehrke, P. Havu, V. Havu, M. Scheffler, The FHI Ab Initio Molecular Simulations (aims) Project, Fritz-Haber-Institut, Berlin (2006).

  13. Spatially explicit modelling of cholera epidemics

    NASA Astrophysics Data System (ADS)

    Finger, F.; Bertuzzo, E.; Mari, L.; Knox, A. C.; Gatto, M.; Rinaldo, A.

    2013-12-01

    Epidemiological models can provide crucial understanding about the dynamics of infectious diseases. Possible applications range from real-time forecasting and allocation of health care resources to testing alternative intervention mechanisms such as vaccines, antibiotics or the improvement of sanitary conditions. We apply a spatially explicit model to the cholera epidemic that struck Haiti in October 2010 and is still ongoing. The dynamics of susceptibles as well as symptomatic and asymptomatic infectives are modelled at the scale of local human communities. Dissemination of Vibrio cholerae through hydrological transport and human mobility along the road network is explicitly taken into account, as well as the effect of rainfall as a driver of increasing disease incidence. The model is calibrated using a dataset of reported cholera cases. We further model the long term impact of several types of interventions on the disease dynamics by varying parameters appropriately. Key epidemiological mechanisms and parameters which affect the efficiency of treatments such as antibiotics are identified. Our results lead to conclusions about the influence of different intervention strategies on the overall epidemiological dynamics.

  14. Fully explicit algorithms for fluid simulation

    NASA Astrophysics Data System (ADS)

    Clausen, Jonathan

    2011-11-01

    Computing hardware is trending towards distributed, massively parallel architectures in order to achieve high computational throughput. For example, Intrepid at Argonne uses 163,840 cores, and next generation machines, such as Sequoia at Lawrence Livermore, will use over one million cores. Harnessing the increasingly parallel nature of computational resources will require algorithms that scale efficiently on these architectures. The advent of GPU-based computation will serve to accelerate this behavior, as a single GPU contains hundreds of processor ``cores.'' Explicit algorithms avoid the communication associated with a linear solve, thus parallel scalability of these algorithms is typically high. This work will explore the efficiency and accuracy of three explicit solution methodologies for the Navier-Stokes equations: traditional artificial compressibility schemes, the lattice-Boltzmann method, and the recently proposed kinetically reduced local Navier-Stokes equations [Borok, Ansumali, and Karlin (2007)]. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  15. Explicitly represented polygon wall boundary model for the explicit MPS method

    NASA Astrophysics Data System (ADS)

    Mitsume, Naoto; Yoshimura, Shinobu; Murotani, Kohei; Yamada, Tomonori

    2015-05-01

    This study presents an accurate and robust boundary model, the explicitly represented polygon (ERP) wall boundary model, to treat arbitrarily shaped wall boundaries in the explicit moving particle simulation (E-MPS) method, which is a mesh-free particle method for strong form partial differential equations. The ERP model expresses wall boundaries as polygons, which are explicitly represented without using the distance function. These are derived so that for viscous fluids, and with less computational cost, they satisfy the Neumann boundary condition for the pressure and the slip/no-slip condition on the wall surface. The proposed model is verified and validated by comparing computed results with the theoretical solution, results obtained by other models, and experimental results. Two simulations with complex boundary movements are conducted to demonstrate the applicability of the E-MPS method to the ERP model.

  16. Developmental Comparisons of Implicit and Explicit Language Learning

    ERIC Educational Resources Information Center

    Lichtman, Karen

    2013-01-01

    Conventional wisdom holds that children learn languages implicitly whereas older learners learn languages explicitly, and some have claimed that after puberty only explicit language learning is possible. However, older learners often receive more explicit instruction than child L2 learners, which may affect their learning strategies. This study…

  17. Explicit 2-D Hydrodynamic FEM Program

    1996-08-07

    DYNA2D* is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D* contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. Themore » isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.« less

  18. Reporting transparency: making the ethical mandate explicit.

    PubMed

    Nicholls, Stuart G; Langan, Sinéad M; Benchimol, Eric I; Moher, David

    2016-03-16

    Improving the transparency and quality of reporting in biomedical research is considered ethically important; yet, this is often based on practical reasons such as the facilitation of peer review. Surprisingly, there has been little explicit discussion regarding the ethical obligations that underpin reporting guidelines. In this commentary, we suggest a number of ethical drivers for the improved reporting of research. These ethical drivers relate to researcher integrity as well as to the benefits derived from improved reporting such as the fair use of resources, minimizing risk of harms, and maximizing benefits. Despite their undoubted benefit to reporting completeness, questions remain regarding the extent to which reporting guidelines can influence processes beyond publication, including researcher integrity or the uptake of scientific research findings into policy or practice. Thus, we consider investigation on the effects of reporting guidelines an important step in providing evidence of their benefits.

  19. Explicit 2-D Hydrodynamic FEM Program

    SciTech Connect

    Lin, Jerry

    1996-08-07

    DYNA2D* is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D* contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. The isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.

  20. Reporting transparency: making the ethical mandate explicit.

    PubMed

    Nicholls, Stuart G; Langan, Sinéad M; Benchimol, Eric I; Moher, David

    2016-01-01

    Improving the transparency and quality of reporting in biomedical research is considered ethically important; yet, this is often based on practical reasons such as the facilitation of peer review. Surprisingly, there has been little explicit discussion regarding the ethical obligations that underpin reporting guidelines. In this commentary, we suggest a number of ethical drivers for the improved reporting of research. These ethical drivers relate to researcher integrity as well as to the benefits derived from improved reporting such as the fair use of resources, minimizing risk of harms, and maximizing benefits. Despite their undoubted benefit to reporting completeness, questions remain regarding the extent to which reporting guidelines can influence processes beyond publication, including researcher integrity or the uptake of scientific research findings into policy or practice. Thus, we consider investigation on the effects of reporting guidelines an important step in providing evidence of their benefits. PMID:26979591

  1. Making explicit the contention in hospice care.

    PubMed

    Moon, Paul J

    At the core of hospice remains the defining nature of mortals tending to other mortals facing diagnosed terminality. Such situations are pregnant with meanings. As mortals are subjective beings, social engagements become inundated with meaning differences. This alludes to the inescapable occurrence of collisions and conflicts in meaning. It would behoove us to make explicit the contention that exists in hospice care, given that death is the nonnegotiable outcome to be diversely faced by all involved persons whose lived approaches related to death issues may characteristically lack unanimity. Toward elucidating the inherently contentious nature of hospice care, the dynamical influence of external forces that overlie thanatological matters in society and the complex human dynamic in hospice care situations are discussed. Practice suggestions for hospice staff are offered.

  2. All-electron molecular Dirac-Hartree-Fock calculations: Properties of the group IV monoxides GeO, SnO and PbO

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1991-01-01

    Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

  3. Measuring Mentalizing Ability: A Within-Subject Comparison between an Explicit and Implicit Version of a Ball Detection Task

    PubMed Central

    Nijhof, Annabel D.; Brass, Marcel; Bardi, Lara; Wiersema, Jan R.

    2016-01-01

    The concept of mentalizing has been widely studied, but almost exclusively through tasks with explicit instructions. Recent studies suggest that people also mentalize on a more implicit level. However, to our knowledge, no study to date has directly contrasted the effects of implicit and explicit mentalizing processes on an implicit dependent measure within-subjects. We implemented this by using two versions of an object detection task, differing only on secondary catch questions. We hypothesized that if explicit mentalizing relies on complementary processes beyond those underlying implicit mentalizing, this would be reflected in enhanced belief effects in the explicit version. Twenty-eight healthy adults watched movies in which, during the first phase, both they themselves and another agent formed a belief about the location of a ball, and although irrelevant, these beliefs could influence their ball detection reaction times in the second phase. After this response phase, there were occasional catch questions that were different for the explicit and implicit task version. Finally, self-report measures of autism spectrum disorder (ASD) symptomatology were included, as the literature suggests that ASD is related to a specific deficit in implicit mentalizing. Both in the explicit and implicit version, belief conditions had a significant effect on reaction times, with responses being slower when neither the participant nor the other agent expected the ball to be present compared to all other conditions. Importantly, after the implicit version, participants reported no explicit mentalizing awareness. In our neurotypical sample, ASD symptoms were not found to correlate with either explicit or implicit mentalizing. In conclusion, the reaction time patterns in the explicit and implicit version of the task show strikingly similar effects of mentalizing, indicating that participants processed beliefs to the same extent regardless of whether they mentalized explicitly or

  4. Explicit limit equilibrium solution for slope stability

    NASA Astrophysics Data System (ADS)

    Zhu, D. Y.; Lee, C. F.

    2002-12-01

    Conventional methods of slices used for slope stability analysis satisfying all equilibrium conditions involves generally solving two highly non-linear equations with respect to two unknowns, i.e. the factor of safety and the associated scaling parameter. To solve these two equations, complicated numerical iterations are required with non-convergence occasionally occurring. This paper presents an alternative procedure to derive the three equilibrium equations (horizontal and vertical forces equations and moment equation) based on an assumption regarding the normal stress distribution along the slip surface. Combination of these equations results in a single cubic equation in terms of the factor of safety, which is explicitly solved. Theoretical testing demonstrates that the proposed method yields a factor of safety in reasonable agreement with a closed-form solution based on the theory of plasticity. Example studies show that the difference in values of factor of safety between the proposed method, the Spencer method and the Morgenstern-Price method is within 5%. Application of the proposed method to practical slope engineering problems is rather straightforward, but its solution is of the same precision as those given by the conventional rigorous methods of slices since it is still within the rigorous context.

  5. Psychometric Intelligence Dissociates Implicit and Explicit Learning

    ERIC Educational Resources Information Center

    Gebauer, Guido F.; Mackintosh, Nicholas J.

    2007-01-01

    The hypothesis that performance on implicit learning tasks is unrelated to psychometric intelligence was examined in a sample of 605 German pupils. Performance in artificial grammar learning, process control, and serial learning did not correlate with various measures of intelligence when participants were given standard implicit instructions.…

  6. Implicit attitude generalization occurs immediately; explicit attitude generalization takes time.

    PubMed

    Ranganath, Kate A; Nosek, Brian A

    2008-03-01

    People are able to explicitly resist using knowledge about one person to evaluate another person from the same group. After learning about positive and negative behaviors performed by one individual from each of two different groups, participants were introduced briefly to new individuals from the groups. Implicit evaluations of the original individuals readily generalized to the new individuals; explicitly, participants resisted such generalization. Days later, both implicit and explicit evaluations of the original individuals generalized to the new individuals. The results suggest that associative links (e.g., shared group membership) are sufficient for implicit attitude generalization, but deliberative logic (e.g., individual group members are not necessarily the same) can reduce explicit generalization by association. When knowledge distinguishing who did what is unavailable, such as after forgetting, associative knowledge provides the basis of explicit evaluation. We conclude that a simple association linking one individual to another can produce implicit attitude generalization immediately and explicit attitude generalization eventually.

  7. Cluster size dependence of double ionization energy spectra of spin-polarized aluminum and sodium clusters: All-electron spin-polarized GW+T -matrix method

    NASA Astrophysics Data System (ADS)

    Noguchi, Yoshifumi; Ohno, Kaoru; Solovyev, Igor; Sasaki, Taizo

    2010-04-01

    The double ionization energy (DIE) spectra are calculated for the spin-polarized aluminum and sodium clusters by means of the all-electron spin-polarized GW+T -matrix method based on the many-body perturbation theory. Our method using the one- and two-particle Green’s functions enables us to determine the whole spectra at once in a single calculation. The smaller is the size of the cluster, the larger the difference between the minimal double ionization energy and the twice of the ionization potential. This is because the strong Coulomb repulsion between two holes becomes dominant in small confined geometry. Due to Pauli’s exclusion principle, the parallel spin DIE is close to or smaller than the antiparallel spin DIE except for Na4 that has well-separated highest and second highest occupied molecular-orbital levels calculated by the spin-dependent GW calculation. In this paper, we compare the results calculated for aluminum and sodium clusters and discuss the spin-polarized effect and the cluster size dependence of the resulting spectra in detail.

  8. Simulating Space Capsule Water Landing with Explicit Finite Element Method

    NASA Technical Reports Server (NTRS)

    Wang, John T.; Lyle, Karen H.

    2007-01-01

    A study of using an explicit nonlinear dynamic finite element code for simulating the water landing of a space capsule was performed. The finite element model contains Lagrangian shell elements for the space capsule and Eulerian solid elements for the water and air. An Arbitrary Lagrangian Eulerian (ALE) solver and a penalty coupling method were used for predicting the fluid and structure interaction forces. The space capsule was first assumed to be rigid, so the numerical results could be correlated with closed form solutions. The water and air meshes were continuously refined until the solution was converged. The converged maximum deceleration predicted is bounded by the classical von Karman and Wagner solutions and is considered to be an adequate solution. The refined water and air meshes were then used in the models for simulating the water landing of a capsule model that has a flexible bottom. For small pitch angle cases, the maximum deceleration from the flexible capsule model was found to be significantly greater than the maximum deceleration obtained from the corresponding rigid model. For large pitch angle cases, the difference between the maximum deceleration of the flexible model and that of its corresponding rigid model is smaller. Test data of Apollo space capsules with a flexible heat shield qualitatively support the findings presented in this paper.

  9. Electrostatic interactions in charged nanoslits within an explicit solvent theory.

    PubMed

    Buyukdagli, Sahin

    2015-11-18

    Within a dipolar Poisson-Boltzmann theory including electrostatic correlations, we consider the effect of explicit solvent structure on solvent and ion partition confined to charged nanopores. We develop a relaxation scheme for the solution of this highly non-linear integro-differential equation for the electrostatic potential. The scheme is an extension of the approach previously introduced for simple planes (Buyukdagli and Blossey 2014 J. Chem. Phys. 140 234903) to nanoslit geometry. We show that the reduced dielectric response of solvent molecules at the membrane walls gives rise to an electric field significantly stronger than the field of the classical Poisson-Boltzmann equation. This peculiarity associated with non-local electrostatic interactions results in turn in an interfacial counterion adsorption layer absent in continuum theories. The observation of this enhanced counterion affinity in the very close vicinity of the interface may have important impacts on nanofluidic transport through charged nanopores. Our results indicate the quantitative inaccuracy of solvent implicit nanofiltration theories in predicting the ionic selectivity of membrane nanopores. PMID:26443128

  10. Stimulus Novelty Energizes Actions in the Absence of Explicit Reward

    PubMed Central

    Koster, Raphael; Seow, Tricia X.; Dolan, Raymond J.; Düzel, Emrah

    2016-01-01

    Novelty seeking has been tied to impulsive choice and biased value based choice. It has been postulated that novel stimuli should trigger more vigorous approach and exploration. However, it is unclear whether stimulus novelty can enhance simple motor actions in the absence of explicit reward, a necessary condition for energizing approach and exploration in an entirely unfamiliar situation. In this study human subjects were cued to omit or perform actions in form of button presses by novel or familiar images. We found that subjects’ motor actions were faster when cued by a novel compared to a familiar image. This facilitation by novelty was strongest when the delay between cue and action was short, consistent with a link between novelty and impulsive choices. The facilitation of reaction times by novelty was correlated across subjects with trait novelty seeking as measured in the Tridimensional Personality Questionnaire. However, this li between high novelty-seeking and action facilitation was driven by trials with a long delay between cue and action. This prolonged time window of energization following novelty could hint at a mechanistic underpinning of enhanced vigour for approach and exploration frequently postulated for novelty seeking humans. In conclusion, we show that stimulus novelty enhances the speed of a cued motor action. We suggest this is likely to reflect an adaptation to changing environments but may also provide a source of maladaptive choice and impulsive behaviour. PMID:27415631

  11. Implicit and explicit self-associations in bipolar disorder: a comparison with healthy controls and unipolar depressive disorder.

    PubMed

    Jabben, Nienke; de Jong, Peter J; Kupka, Ralph W; Glashouwer, Klaske A; Nolen, Willem A; Penninx, Brenda W J H

    2014-02-28

    According to cognitive theory, negative self-schemas are involved in the occurrence of depression. Whereas implicit depressive self-associations have been found in unipolar depression, it is unknown whether impaired associations with regard to the self are also involved in Bipolar Disorder (BD). This study investigated whether a bias in self-associations is a characteristic of bipolar disorder and whether discrepancies between implicit and explicit self-evaluations may be relevant for understanding bipolar psychopathology. Implicit and explicit self-associations were assessed in patients with BD (n=99), in patients with depressive disorder (n=1236), and healthy controls (n=387). Analyses of variance and correlation analyses were used to compare bipolar patients to controls and unipolar patients on implicit self-associations and the discrepancy between implicit and explicit self-associations. Similar to unipolar patients, patients with BD showed stronger implicit depressive self-associations than controls. Specifically for bipolar patients there was no significant correlation between implicit and explicit depressive self-associations. In a similar vein, discrepancies between implicit and explicit self-associations were relatively pronounced in symptomatic bipolar patients as compared to both healthy controls and unipolar depressed patients. Thus automatic depressive self-associations were characteristic for all mood disorders whereas a lack of concordance between implicit and explicit self-associations was specific for BD. PMID:24365387

  12. Implicit and Explicit Processes in Risk Perception: Neural Antecedents of Perceived HIV Risk

    PubMed Central

    Schmälzle, Ralf; Schupp, Harald T.; Barth, Alexander; Renner, Britta

    2011-01-01

    Field studies on HIV risk suggest that people may rely on impressions they have about the safety of their partner at the dispense of more objective risk protection strategies. In this study, ERP recordings were used to investigate the brain mechanisms that give rise to such impressions. First, in an implicit condition, participants viewed a series of photographs of unacquainted persons while performing a task that did not mention HIV risk. Second, in an explicit condition, participants estimated the HIV risk for each presented person. Dense sensor EEG was recorded during the implicit and explicit conditions. In the analysis, explicit risk ratings were used to categorize ERP data from the implicit and explicit conditions into low and high HIV risk categories. The results reveal implicit ERP differences on the basis of subsequent ratings of HIV risk. Specifically, the processing of risky individuals was associated with an early occipital negativity (240–300 ms) and a subsequent central positivity between 430 and 530 ms compared to safe. A similar ERP modulation emerged in the explicit condition for the central positivity component between 430 and 530 ms. A subsequent late positive potential component between 550 and 800 ms was specifically enhanced for risky persons in the explicit rating condition while not modulated in the implicit condition. Furthermore, ratings of HIV risk correlated substantially with ratings of trustworthiness and responsibility. Taken together, these observations provide evidence for theories of intuitive risk perception, which, in the case of HIV risk, seem to operate via appearance-based stereotypic inferences. PMID:21633492

  13. Explicit and Implicit Attitudes of Canadian Psychiatrists Toward People With Mental Illness

    PubMed Central

    Dabby, Layla; Tranulis, Constantin; Kirmayer, Laurence J

    2015-01-01

    Objective: People with mental illness suffer stigma and discrimination across various contexts, including the health care setting, and clinicians’ attitudes play an important role in perpetuating stigma. Effective stigma-reduction interventions for physicians require a better understanding of explicit (that is, conscious and controllable) and implicit (that is, subconscious and automatic) forms of bias, and of predictors and moderators of stigma. Methods: Members of a Canadian university psychiatry department and of the Canadian Psychiatric Association (CPA) were invited to participate in a web-based study consisting of 2 measures of explicit attitudes, the Social Distance Scale (SDS) and the Opening Minds Scale for Health Care Providers (OMS-HC), and 1 measure of implicit attitudes, the Implicit Association Test (IAT). Results: Thirty-five psychiatry residents and 68 psychiatrists completed the study (response rates of 12.1% for the university sample and 3.3% for the CPA sample). Participants desired greater social distance from the vignette patient with schizophrenia. Mean IAT scores, although negative, did not reach the threshold for a meaningful effect size. Patient contact positively predicted IAT scores, while age, sex, and level of training (resident, compared with psychiatrist) did not. Neither patient contact nor implicit attitudes predicted SDS or OMS-HC scores. Conclusion: Psychiatrists did not differ from psychiatry residents on any measures of explicit or implicit attitudes toward mental illness. Explicit attitudes toward people with mental illness were relatively negative; implicit attitudes were neither negative nor positive; and implicit and explicit attitudes were not correlated. Greater patient contact predicted more positive implicit attitudes, but did not predict explicit attitudes. PMID:26720192

  14. "Make It Explicit!": Improving Collaboration through Increase of Script Coercion

    ERIC Educational Resources Information Center

    Papadopoulos, P. M.; Demetriadis, S. N.; Weinberger, A.

    2013-01-01

    This paper investigates the impact of the proposed "Make It Explicit!" technique on students' learning when participating in scripted collaborative activities. The method posits that when asking students to proactively articulate their own positions explicitly, then improved peer interaction is triggered in a subsequent…

  15. Chinese Undergraduates' Explicit and Implicit Attitudes toward Persons with Disabilities

    ERIC Educational Resources Information Center

    Chen, Shuang; Ma, Li; Zhang, Jian-Xin

    2011-01-01

    The present study is aimed at examining implicit and explicit attitudes toward persons with disabilities among Chinese college students. The "Implicit Association Test" was used to measure their implicit attitudes, whereas their explicit attitudes toward persons with disabilities were measured by using a scale of three items. Participants were 56…

  16. Explicitly solvable complex Chebyshev approximation problems related to sine polynomials

    NASA Technical Reports Server (NTRS)

    Freund, Roland

    1989-01-01

    Explicitly solvable real Chebyshev approximation problems on the unit interval are typically characterized by simple error curves. A similar principle is presented for complex approximation problems with error curves induced by sine polynomials. As an application, some new explicit formulae for complex best approximations are derived.

  17. The Effectiveness of Explicit Attention to Form in Language Learning

    ERIC Educational Resources Information Center

    Radwan, Adel Abu

    2005-01-01

    This paper explores the facilitative effects of various types of attention-drawing instructional conditions (explicit and implicit) on the acquisition of English dative alternation. Specifically, the study addresses: (a) whether differences in the degree of explicitness manipulated in various instructional conditions differently affect the…

  18. Measuring Explicit and Implicit Knowledge: A Psychometric Study in SLA

    ERIC Educational Resources Information Center

    Ebadi, Mandana Rohollahzadeh; Abedalaziz, Nabeel; Saad, Mohd Rashid Mohd

    2015-01-01

    Lack of valid means of measuring explicit and implicit knowledge in acquisition of second language is a concern issue in investigations of explicit and implicit learning. This paper endeavors to validate the use of four tests (i.e., Untimed Judgment Grammatical Test, UJGT; Test of Metalinguistic Knowledge, TMK; Elicited Oral Imitation Test, EOIT;…

  19. Functional differences between statistical learning with and without explicit training

    PubMed Central

    Reber, Paul J.; Paller, Ken A.

    2015-01-01

    Humans are capable of rapidly extracting regularities from environmental input, a process known as statistical learning. This type of learning typically occurs automatically, through passive exposure to environmental input. The presumed function of statistical learning is to optimize processing, allowing the brain to more accurately predict and prepare for incoming input. In this study, we ask whether the function of statistical learning may be enhanced through supplementary explicit training, in which underlying regularities are explicitly taught rather than simply abstracted through exposure. Learners were randomly assigned either to an explicit group or an implicit group. All learners were exposed to a continuous stream of repeating nonsense words. Prior to this implicit training, learners in the explicit group received supplementary explicit training on the nonsense words. Statistical learning was assessed through a speeded reaction-time (RT) task, which measured the extent to which learners used acquired statistical knowledge to optimize online processing. Both RTs and brain potentials revealed significant differences in online processing as a function of training condition. RTs showed a crossover interaction; responses in the explicit group were faster to predictable targets and marginally slower to less predictable targets relative to responses in the implicit group. P300 potentials to predictable targets were larger in the explicit group than in the implicit group, suggesting greater recruitment of controlled, effortful processes. Taken together, these results suggest that information abstracted through passive exposure during statistical learning may be processed more automatically and with less effort than information that is acquired explicitly. PMID:26472644

  20. Effects of Explicit Instructions, Metacognition, and Motivation on Creative Performance

    ERIC Educational Resources Information Center

    Hong, Eunsook; O'Neil, Harold F.; Peng, Yun

    2016-01-01

    Effects of explicit instructions, metacognition, and intrinsic motivation on creative homework performance were examined in 303 Chinese 10th-grade students. Models that represent hypothesized relations among these constructs and trait covariates were tested using structural equation modelling. Explicit instructions geared to originality were…

  1. Gender Differences in Implicit and Explicit Memory for Affective Passages

    ERIC Educational Resources Information Center

    Burton, Leslie A.; Rabin, Laura; Vardy, Susan Bernstein.; Frohlich, Jonathan; Wyatt, Gwinne; Dimitri, Diana; Constante, Shimon; Guterman, Elan

    2004-01-01

    Thirty-two participants were administered 4 verbal tasks, an Implicit Affective Task, an Implicit Neutral Task, an Explicit Affective Task, and an Explicit Neutral Task. For the Implicit Tasks, participants were timed while reading passages aloud as quickly as possible, but not so quickly that they did not understand. A target verbal passage was…

  2. Explicit- and implicit bullying attitudes in relation to bullying behavior.

    PubMed

    van Goethem, Anne A J; Scholte, Ron H J; Wiers, Reinout W

    2010-08-01

    The main aim of this study was to examine whether an assessment of implicit bullying attitudes could add to the prediction of bullying behavior after controlling for explicit bullying attitudes. Primary school children (112 boys and 125 girls, M age = 11 years, 5 months) completed two newly developed measures of implicit bullying attitudes (a general Implicit Association Test on bullying and a movie-primed specific IAT on bullying), an explicit bullying attitude measure, and self reported, peer reported, and teacher rated bullying behavior. While explicit bullying attitudes predicted bullying behavior, implicit attitudes did not. However, a significant interaction between implicit and explicit bullying attitudes indicated that in children with relatively positive explicit attitudes, implicit bullying attitudes were important predictors of bullying behavior. Theoretical and practical implications are discussed.

  3. Thalamic volume deficit contributes to procedural and explicit memory impairment in HIV infection with primary alcoholism comorbidity.

    PubMed

    Fama, Rosemary; Rosenbloom, Margaret J; Sassoon, Stephanie A; Rohlfing, Torsten; Pfefferbaum, Adolf; Sullivan, Edith V

    2014-12-01

    Component cognitive and motor processes contributing to diminished visuomotor procedural learning in HIV infection with comorbid chronic alcoholism (HIV+ALC) include problems with attention and explicit memory processes. The neural correlates associated with this constellation of cognitive and motor processes in HIV infection and alcoholism have yet to be delineated. Frontostriatal regions are affected in HIV infection, frontothalamocerebellar regions are affected in chronic alcoholism, and frontolimbic regions are likely affected in both; all three of these systems have the potential of contributing to both visuomotor procedural learning and explicit memory processes. Here, we examined the neural correlates of implicit memory, explicit memory, attention, and motor tests in 26 HIV+ALC (5 with comorbidity for nonalcohol drug abuse/dependence) and 19 age-range matched healthy control men. Parcellated brain volumes, including cortical, subcortical, and allocortical regions, as well as cortical sulci and ventricles, were derived using the SRI24 brain atlas. Results indicated that smaller thalamic volumes were associated with poorer performance on tests of explicit (immediate and delayed) and implicit (visuomotor procedural) memory in HIV+ALC. By contrast, smaller hippocampal volumes were associated with lower scores on explicit, but not implicit memory. Multiple regression analyses revealed that volumes of both the thalamus and the hippocampus were each unique independent predictors of explicit memory scores. This study provides evidence of a dissociation between implicit and explicit memory tasks in HIV+ALC, with selective relationships observed between hippocampal volume and explicit but not implicit memory, and highlights the relevance of the thalamus to mnemonic processes.

  4. Thalamic Volume Deficit Contributes to Procedural and Explicit Memory Impairment in HIV Infection with Primary Alcoholism Comorbidity

    PubMed Central

    Fama, Rosemary; Rosenbloom, Margaret J.; Sassoon, Stephanie A.; Rohlfing, Torsten; Pfefferbaum, Adolf; Sullivan, Edith V.

    2014-01-01

    Component cognitive and motor processes contributing to diminished visuomotor procedural learning in HIV infection with comorbid chronic alcoholism (HIV+ALC) include problems with attention and explicit memory processes. The neural correlates associated with this constellation of cognitive and motor processes in HIV infection and alcoholism have yet to be delineated. Frontostriatal regions are affected in HIV infection, frontothalamocerebellar regions are affected in chronic alcoholism, and frontolimbic regions are likely affected in both; all three of these systems have the potential of contributing to both visuomotor procedural learning and explicit memory processes. Here, we examined the neural correlates of implicit memory, explicit memory, attention, and motor tests in 26 HIV+ALC (5 with comorbidity for nonalcohol drug abuse/dependence) and 19 age-range matched healthy control men. Parcellated brain volumes, including cortical, subcortical, and allocortical regions, as well as cortical sulci and ventricles, were derived using the SRI24 brain atlas. Results indicated that smaller thalamic volumes were associated with poorer performance on tests of explicit (immediate and delayed) and implicit (visuomotor procedural) memory in HIV+ALC. By contrast, smaller hippocampal volumes were associated with lower scores on explicit, but not implicit memory. Multiple regression analyses revealed that volumes of both the thalamus and the hippocampus were each unique independent predictors of explicit memory scores. This study provides evidence of a dissociation between implicit and explicit memory tasks in HIV+ALC, with selective relationships observed between hippocampal volume and explicit but not implicit memory, and highlights the relevance of the thalamus to mnemonic processes. PMID:24421067

  5. Explicitly broken supersymmetry with exactly massless moduli

    NASA Astrophysics Data System (ADS)

    Dong, Xi; Freedman, Daniel Z.; Zhao, Yue

    2016-06-01

    The AdS/CFT correspondence is applied to an analogue of the little hierarchy problem in three-dimensional supersymmetric theories. The bulk is governed by a super-gravity theory in which a U(1) × U(1) R-symmetry is gauged by Chern-Simons fields. The bulk theory is deformed by a boundary term quadratic in the gauge fields. It breaks SUSY completely and sources an exactly marginal operator in the dual CFT. SUSY breaking is communicated by gauge interactions to bulk scalar fields and their spinor superpartners. The bulk-to-boundary propagator of the Chern-Simons fields is a total derivative with respect to the bulk coordinates. Integration by parts and the Ward identity permit evaluation of SUSY breaking effects to all orders in the strength of the deformation. The R-charges of scalars and spinors differ so large SUSY breaking mass shifts are generated. Masses of R-neutral particles such as scalar moduli are not shifted to any order in the deformation strength, despite the fact that they may couple to R-charged fields running in loops. We also obtain a universal deformation formula for correlation functions under an exactly marginal deformation by a product of holomorphic and anti-holomorphic U(1) currents.

  6. Disentangling Rheumatoid Arthritis Patients' Implicit and Explicit Attitudes toward Methotrexate.

    PubMed

    Linn, Annemiek J; Vandeberg, Lisa; Wennekers, Annemarie M; Vervloet, Marcia; van Dijk, Liset; van den Bemt, Bart J F

    2016-01-01

    Medication non-adherence is a major public health problem that has been termed an 'invisible epidemic.' Non-adherence is not only associated with negative clinical consequences but can also result in substantial healthcare costs. Up to now, effective adherence interventions are scarce and a more comprehensive model of adherence determinants is required to target the determinants for not taking the medication as prescribed. Current approaches only included explicit attitudes such as self-reported evaluations of medication as determinants, neglecting the role of associative processes that shape implicit attitudes. Implicit processes can predict daily behavior more accurately than explicit attitudes. Our aim is to assess explicit and implicit attitudes toward medication and explore the relation with beliefs, adherence and clinical (laboratory) outcomes in chronically ill patients. Fifty two Rheumatic Arthritis (RA) patients' attitudes toward Methotrexate (MTX) were explicitly (self-reported) and implicitly (Single-Category Implicit Association Test) assessed and related to the Beliefs about Medicine Questionnaire, the Compliance Questionnaire on Rheumatology and laboratory parameters [Erythrocyte Sedimentation Rate (ESR), C-Reactive Protein (CRP)]. Results show that explicit attitudes were positive and health-related. Implicit attitudes were, however, negative and sickness-related. Half of the patients displayed explicitly positive but implicitly negative attitudes. Explicit attitudes were positively related to ESR. A positive relationship between implicit attitudes and disease duration was observed. In this study, we have obtained evidence suggesting that the measurement of implicit attitudes and associations provides different information than explicit, self-reported attitudes toward medication. Since patients' implicit attitudes deviated from explicit attitudes, we can conclude that the relationship between implicit attitudes and medication adherence is worthwhile

  7. Disentangling Rheumatoid Arthritis Patients’ Implicit and Explicit Attitudes toward Methotrexate

    PubMed Central

    Linn, Annemiek J.; Vandeberg, Lisa; Wennekers, Annemarie M.; Vervloet, Marcia; van Dijk, Liset; van den Bemt, Bart J. F.

    2016-01-01

    Medication non-adherence is a major public health problem that has been termed an ‘invisible epidemic.’ Non-adherence is not only associated with negative clinical consequences but can also result in substantial healthcare costs. Up to now, effective adherence interventions are scarce and a more comprehensive model of adherence determinants is required to target the determinants for not taking the medication as prescribed. Current approaches only included explicit attitudes such as self-reported evaluations of medication as determinants, neglecting the role of associative processes that shape implicit attitudes. Implicit processes can predict daily behavior more accurately than explicit attitudes. Our aim is to assess explicit and implicit attitudes toward medication and explore the relation with beliefs, adherence and clinical (laboratory) outcomes in chronically ill patients. Fifty two Rheumatic Arthritis (RA) patients’ attitudes toward Methotrexate (MTX) were explicitly (self-reported) and implicitly (Single-Category Implicit Association Test) assessed and related to the Beliefs about Medicine Questionnaire, the Compliance Questionnaire on Rheumatology and laboratory parameters [Erythrocyte Sedimentation Rate (ESR), C-Reactive Protein (CRP)]. Results show that explicit attitudes were positive and health-related. Implicit attitudes were, however, negative and sickness-related. Half of the patients displayed explicitly positive but implicitly negative attitudes. Explicit attitudes were positively related to ESR. A positive relationship between implicit attitudes and disease duration was observed. In this study, we have obtained evidence suggesting that the measurement of implicit attitudes and associations provides different information than explicit, self-reported attitudes toward medication. Since patients’ implicit attitudes deviated from explicit attitudes, we can conclude that the relationship between implicit attitudes and medication adherence is

  8. Disentangling Rheumatoid Arthritis Patients' Implicit and Explicit Attitudes toward Methotrexate.

    PubMed

    Linn, Annemiek J; Vandeberg, Lisa; Wennekers, Annemarie M; Vervloet, Marcia; van Dijk, Liset; van den Bemt, Bart J F

    2016-01-01

    Medication non-adherence is a major public health problem that has been termed an 'invisible epidemic.' Non-adherence is not only associated with negative clinical consequences but can also result in substantial healthcare costs. Up to now, effective adherence interventions are scarce and a more comprehensive model of adherence determinants is required to target the determinants for not taking the medication as prescribed. Current approaches only included explicit attitudes such as self-reported evaluations of medication as determinants, neglecting the role of associative processes that shape implicit attitudes. Implicit processes can predict daily behavior more accurately than explicit attitudes. Our aim is to assess explicit and implicit attitudes toward medication and explore the relation with beliefs, adherence and clinical (laboratory) outcomes in chronically ill patients. Fifty two Rheumatic Arthritis (RA) patients' attitudes toward Methotrexate (MTX) were explicitly (self-reported) and implicitly (Single-Category Implicit Association Test) assessed and related to the Beliefs about Medicine Questionnaire, the Compliance Questionnaire on Rheumatology and laboratory parameters [Erythrocyte Sedimentation Rate (ESR), C-Reactive Protein (CRP)]. Results show that explicit attitudes were positive and health-related. Implicit attitudes were, however, negative and sickness-related. Half of the patients displayed explicitly positive but implicitly negative attitudes. Explicit attitudes were positively related to ESR. A positive relationship between implicit attitudes and disease duration was observed. In this study, we have obtained evidence suggesting that the measurement of implicit attitudes and associations provides different information than explicit, self-reported attitudes toward medication. Since patients' implicit attitudes deviated from explicit attitudes, we can conclude that the relationship between implicit attitudes and medication adherence is worthwhile

  9. Implicit and Explicit Second Language Training Recruit Common Neural Mechanisms for Syntactic Processing

    PubMed Central

    Batterink, Laura; Neville, Helen

    2015-01-01

    In contrast to native language acquisition, adult second language (L2) acquisition occurs under highly variable learning conditions. While most adults acquire their L2 at least partially through explicit instruction, as in a classroom setting, many others acquire their L2 primarily through implicit exposure, as is typical of an immersion environment. Whether these differences in acquisition environment play a role in determining the neural mechanisms that are ultimately recruited to process L2 grammar has not been well characterized. The present study investigated this issue by comparing the event-related potential response to novel L2 syntactic rules acquired under conditions of implicit exposure and explicit instruction, using a novel laboratory language-learning paradigm. Native speakers tested on these stimuli showed a biphasic response to syntactic violations, consisting of an earlier negativity followed by a later P600 effect. After merely an hour of training, both implicitly- and explicitly-trained learners who were capable of detecting grammatical violations also elicited P600 effects. In contrast, learners who were unable to discriminate between grammatically correct and incorrect sentences did not show significant P600 effects. The magnitude of the P600 effect was found to correlate with learners’ behavioral proficiency. Behavioral measures revealed that successful learners from both the implicit and explicit groups gained explicit, verbalizable knowledge about the L2 grammar rules. Taken together, these results indicate that late, controlled mechanisms indexed by the P600 play a crucial role in processing a late-learned L2 grammar, regardless of training condition. These findings underscore the remarkable plasticity of later, attention-dependent processes and their importance in lifelong learning. PMID:23631551

  10. Implicit and explicit second language training recruit common neural mechanisms for syntactic processing.

    PubMed

    Batterink, Laura; Neville, Helen

    2013-06-01

    In contrast to native language acquisition, adult second-language (L2) acquisition occurs under highly variable learning conditions. Although most adults acquire their L2 at least partially through explicit instruction, as in a classroom setting, many others acquire their L2 primarily through implicit exposure, as is typical of an immersion environment. Whether these differences in acquisition environment play a role in determining the neural mechanisms that are ultimately recruited to process L2 grammar has not been well characterized. This study investigated this issue by comparing the ERP response to novel L2 syntactic rules acquired under conditions of implicit exposure and explicit instruction, using a novel laboratory language-learning paradigm. Native speakers tested on these stimuli showed a biphasic response to syntactic violations, consisting of an earlier negativity followed by a later P600 effect. After merely an hour of training, both implicitly and explicitly trained learners who were capable of detecting grammatical violations also elicited P600 effects. In contrast, learners who were unable to discriminate between grammatically correct and incorrect sentences did not show significant P600 effects. The magnitude of the P600 effect was found to correlate with learners' behavioral proficiency. Behavioral measures revealed that successful learners from both the implicit and explicit groups gained explicit, verbalizable knowledge about the L2 grammar rules. Taken together, these results indicate that late, controlled mechanisms indexed by the P600 play a crucial role in processing a late-learned L2 grammar, regardless of training condition. These findings underscore the remarkable plasticity of later, attention-dependent processes and their importance in lifelong learning.

  11. A stochastic extension of the explicit algebraic subgrid-scale models

    SciTech Connect

    Rasam, A. Brethouwer, G.; Johansson, A. V.

    2014-05-15

    The explicit algebraic subgrid-scale (SGS) stress model (EASM) of Marstorp et al. [“Explicit algebraic subgrid stress models with application to rotating channel flow,” J. Fluid Mech. 639, 403–432 (2009)] and explicit algebraic SGS scalar flux model (EASFM) of Rasam et al. [“An explicit algebraic model for the subgrid-scale passive scalar flux,” J. Fluid Mech. 721, 541–577 (2013)] are extended with stochastic terms based on the Langevin equation formalism for the subgrid-scales by Marstorp et al. [“A stochastic subgrid model with application to turbulent flow and scalar mixing,” Phys. Fluids 19, 035107 (2007)]. The EASM and EASFM are nonlinear mixed and tensor eddy-diffusivity models, which improve large eddy simulation (LES) predictions of the mean flow, Reynolds stresses, and scalar fluxes of wall-bounded flows compared to isotropic eddy-viscosity and eddy-diffusivity SGS models, especially at coarse resolutions. The purpose of the stochastic extension of the explicit algebraic SGS models is to further improve the characteristics of the kinetic energy and scalar variance SGS dissipation, which are key quantities that govern the small-scale mixing and dispersion dynamics. LES of turbulent channel flow with passive scalar transport shows that the stochastic terms enhance SGS dissipation statistics such as length scale, variance, and probability density functions and introduce a significant amount of backscatter of energy from the subgrid to the resolved scales without causing numerical stability problems. The improvements in the SGS dissipation predictions in turn enhances the predicted resolved statistics such as the mean scalar, scalar fluxes, Reynolds stresses, and correlation lengths. Moreover, the nonalignment between the SGS stress and resolved strain-rate tensors predicted by the EASM with stochastic extension is in much closer agreement with direct numerical simulation data.

  12. Anger enhances correspondence between implicit and explicit attitudes.

    PubMed

    Huntsinger, Jeffrey R

    2013-04-01

    The goal of the current research was to subject to empirical examination the idea that the experience of anger would narrow the separation between implicit and explicit attitudes. Specifically, the tendency of anger to promote a sense of certainty in one's point of view was predicted to enhance the subjective validity of implicit attitudes, and that this validation of implicit attitudes by anger should increase implicit-explicit attitude correspondence. Consistent with these predictions, across three experiments, anger, as compared with neutral emotion (Experiments 1-3) and sad emotion (Experiments 1-2), was found to increase implicit-explicit attitude correspondence. Appraisals of certainty, but not individual control, mediated the effect of anger on implicit-explicit correspondence (Experiment 3). More generally, these results imply that anger may play an essential, but until now overlooked, role in directing the interplay between spontaneous and deliberative aspects of the self.

  13. Serial position effects in implicit and explicit tests of memory.

    PubMed

    Gershberg, F B; Shimamura, A P

    1994-11-01

    The effects of serial position at study on implicit and explicit tests of memory were investigated. Both primary and recency effects were observed in implicit tests of word-stem completion. These effects, however, were transient. No serial position effects were found in the second half of testing (Experiments 1 and 3) or when testing followed a 1-min, filled delay (Experiment 2). Serial position effects were also examined in explicit tests of cued recall. When performance on explicit cued recall was below ceiling levels, a primacy effect persisted throughout testing (Experiment 3). Similarly, in explicit tests of free recall, primacy effects were consistently observed, both with immediate testing (Experiments 1 and 3) and when testing followed a filled delay (Experiment 2).

  14. Explicit and Implicit Emotion Regulation: A Dual-Process Framework

    PubMed Central

    Gyurak, Anett; Gross, James J.; Etkin, Amit

    2012-01-01

    It is widely acknowledged that emotions can be regulated in an astonishing variety of ways. Most research to date has focused on explicit (effortful) forms of emotion regulation. However, there is growing research interest in implicit (automatic) forms of emotion regulation. To organize emerging findings, we present a dual-process framework that integrates explicit and implicit forms of emotion regulation, and argue that both forms of regulation are necessary for well-being. In the first section of this review, we provide a broad overview of the construct of emotion regulation, with an emphasis on explicit and implicit processes. In the second section, we focus on explicit emotion regulation, considering both neural mechanisms that are associated with these processes and their experiential and physiological consequences. In the third section, we turn to several forms of implicit emotion regulation, and integrate the burgeoning literature in this area. We conclude by outlining open questions and areas for future research. PMID:21432682

  15. Implicit and explicit learning in individuals with agrammatic aphasia.

    PubMed

    Schuchard, Julia; Thompson, Cynthia K

    2014-06-01

    Implicit learning is a process of acquiring knowledge that occurs without conscious awareness of learning, whereas explicit learning involves the use of overt strategies. To date, research related to implicit learning following stroke has been largely restricted to the motor domain and has rarely addressed implications for language. The present study investigated implicit and explicit learning of an auditory word sequence in 10 individuals with stroke-induced agrammatic aphasia and 18 healthy age-matched participants using an adaptation of the Serial Reaction Time task. Individuals with aphasia showed significant learning under implicit, but not explicit, conditions, whereas age-matched participants learned under both conditions. These results suggest significant implicit learning ability in agrammatic aphasia. Furthermore, results of an auditory sentence span task indicated working memory deficits in individuals with agrammatic aphasia, which are discussed in relation to explicit and implicit learning processes.

  16. Multidimensional explicit difference schemes for hyperbolic conservation laws

    NASA Technical Reports Server (NTRS)

    Vanleer, B.

    1983-01-01

    First and second order explicit difference schemes are derived for a three dimensional hyperbolic system of conservation laws, without recourse to dimensional factorization. All schemes are upwind (backward) biased and optimally stable.

  17. Ontogeny is different for explicit and implicit memory in humans.

    PubMed

    Hömberg, V; Bickmann, U; Müller, K

    1993-02-19

    This study was aimed to clarify in how far ontogenetic development is different for declarative/explicit compared to procedural/implicit learning. These two memory subsystems are differentially affected in a number of pathological conditions. Sixty-one children between the age of 5 and 10 years were tested on a verbal story recall and non-verbal pictorial recall task, representing explicit memory. To test for implicit memory, a motor mirror tracking task and a non-motor tower-of-hanoi puzzle were used. Both explicit memory tasks showed a clear developmental profile with an increase in the number of recalled items for immediate, late and delayed recall with adult values not reached before the age of 9-10 years. In contrast, there were no age differences for both implicit memory tasks. The study demonstrates that explicit and implicit memory follow different maturational trends and further corroborate the notion of two different memory systems. PMID:8469418

  18. Exact and Explicit Internal Equatorial Water Waves with Underlying Currents

    NASA Astrophysics Data System (ADS)

    Kluczek, Mateusz

    2016-07-01

    In this paper we present an exact and explicit solution to the geophysical governing equations in the Equatorial region, which represents internal oceanic waves in the presence of a constant underlying current.

  19. Qualitative differences between implicit and explicit sequence learning.

    PubMed

    Jiménez, Luis; Vaquero, Joaquín M M; Lupiáñez, Juan

    2006-05-01

    Four experiments investigate the differences between implicit and explicit sequence learning concerning their resilience to structural and superficial task changes. A superficial change that embedded the SRT task in the context of a selection task, while maintaining the sequence, did selectively hinder the expression of implicit learning. In contrast, a manipulation that maintained the task surface, but decreased the sequence validity, affected the expression of learning specifically when it was explicit. These results are discussed in the context of a dynamic framework (Cleeremans & Jiménez, 2002), which assumes that implicit knowledge is specially affected by contextual factors and that, as knowledge becomes explicit, it allows for the development of relevant metaknowledge that modulates the expression of explicit knowledge. PMID:16719660

  20. Exploring implicit and explicit aspects of sense of agency.

    PubMed

    Moore, J W; Middleton, D; Haggard, P; Fletcher, P C

    2012-12-01

    Sense of agency refers to the sense of initiating and controlling actions in order to influence events in the outside world. Recently, a distinction between implicit and explicit aspects of sense of agency has been proposed, analogous to distinctions found in other areas of cognition, notably learning. However, there is yet no strong evidence supporting separable implicit and explicit components of sense of agency. The so-called 'Perruchet paradigm' offers one of the few convincing demonstrations of separable implicit and explicit learning systems. We adopted this approach to evaluate the implicit-explicit distinction in the context of a simple task in which outcomes were probabilistically caused by actions. In line with our initial predictions, we found evidence of a dissociation. We discuss the implications of this result for theories of sense of agency.

  1. The time course of implicit and explicit concept learning.

    PubMed

    Ziori, Eleni; Dienes, Zoltán

    2012-03-01

    The present experiment investigated the development of implicit and explicit knowledge during concept learning. According to Cleeremans and Jiménez (2002), the content of a representation can be conscious only when the representation is of a sufficiently good quality; on this theory, increasing explicit and decreasing implicit knowledge might be expected with training. The view that implicit knowledge arises from compilation of explicit knowledge makes the opposite prediction. The present research tested these possibilities using subjective measures based on confidence ratings. One group of participants was presented with blocks of category exemplars that activated prior knowledge, whereas another group was presented with blocks of categories that did not elicit any useful prior knowledge. The results showed that, irrespective of the knowledge group participants were allocated to, explicit knowledge increased over the course of learning, whereas implicit knowledge either stayed the same or decreased, consistent with Cleeremans and Jiménez's prediction.

  2. Multidimensional explicit difference schemes for hyperbolic conservation laws

    NASA Technical Reports Server (NTRS)

    Van Leer, B.

    1984-01-01

    First- and second-order explicit difference schemes are derived for a three-dimensional hyperbolic system of conservation laws, without recourse to dimensional factorization. All schemes are upwind biased and optimally stable.

  3. General and explicit equations of motion for mechanical systems

    NASA Astrophysics Data System (ADS)

    Phohomsiri, Phailaung

    This study presents the new, general forms of the explicit equations of motion for general mechanical systems subjected to holonomic and/or nonholonomic constraints. These constraints may or may not satisfy D'Alembert's principle. In this dissertation we first show that the general, explicit equations of motion for mechanical systems under nonideal constraints can be obtained without any use of generalized inverses. These equations are then shown to be equivalent to those obtained using generalized inverses. Next we derive the more general, explicit equations of motion capable of handling mechanical systems with symmetric, semi-positive definite mass matrices. These new equations are shown to be identical to ones obtained by Udwadia and Kalaba when the mass matrices become symmetric, positive definite. Examples are then provided to show that systems with singular mass matrices can really occur and to demonstrate the use of the new equations. Subsequently, we make use of quasi-velocities as independent variables to describe constrained motion. Based on these quasi-velocities, we generalize the Poincare equations for unconstrained systems and then derive the general, explicit Poincare equations of motion for constrained mechanical systems. These new explicit Poincare equations of motion for constrained systems might be probably considered the most general, explicit equations so far obtained.

  4. Cybersex: regulating sexually explicit expression on the Internet.

    PubMed

    Cate, F H

    1996-01-01

    While the First Amendment restricts the power of the government to control access by adults to sexually explicit expression that is not obscene, the government may restrict access by children, provided that those restrictions do not limit adults to reading only "what is fit for children." Controlling access by children presents special problems in the context of broadcasting, because broadcast programming is accessible to children too young to read and because of the impossibility of segregating adults and children in the audience. The Supreme Court therefore permits the government to require "channeling" of sexually explicit programming to times when fewer unsupervised children are in the audience, to facilitate parental control over children's access to sexually explicit material. Although Internet content includes less than one percent of sexually explicit expression, that material has been the subject of intensive media and government attention. Much of that attention ignores (1) the high level of constitutional protection applicable to non-obscene, sexually explicit expression; (2) features of the Internet which facilitate controlling access by children to sexually explicit expression far more effectively than in broadcasting or print media; and (3) the First Amendment values served by permitting expression of all forms on the Internet. PMID:10160233

  5. Generalized Born and Explicit Solvent Models for Free Energy Calculations in Organic Solvents: Cyclodextrin Dimerization.

    PubMed

    Zhang, Haiyang; Tan, Tianwei; van der Spoel, David

    2015-11-10

    Evaluation of solvation (binding) free energies with implicit solvent models in different dielectric environments for biological simulations as well as high throughput ligand screening remain challenging endeavors. In order to address how well implicit solvent models approximate explicit ones we examined four generalized Born models (GB(Still), GB(HCT), GB(OBC)I, and GB(OBC)II) for determining the dimerization free energy (ΔG(0)) of β-cyclodextrin monomers in 17 implicit solvents with dielectric constants (D) ranging from 5 to 80 and compared the results to previous free energy calculations with explicit solvents ( Zhang et al. J. Phys. Chem. B 2012 , 116 , 12684 - 12693 ). The comparison indicates that neglecting the environmental dependence of Born radii appears acceptable for such calculations involving cyclodextrin and that the GB(Still) and GB(OBC)I models yield a reasonable estimation of ΔG(0), although the details of binding are quite different from explicit solvents. Large discrepancies between implicit and explicit solvent models occur in high-dielectric media with strong hydrogen bond (HB) interruption properties. ΔG(0) with the GB models is shown to correlate strongly to 2(D-1)/(2D+1) (R(2) ∼ 0.90) in line with the Onsager reaction field ( Onsager J. Am. Chem. Soc. 1936 , 58 , 1486 - 1493 ) but to be very sensitive to D (D < 10) as well. Both high-dielectric environments where hydrogen bonds are of interest and low-dielectric media such as protein binding pockets and membrane interiors therefore need to be considered with caution in GB-based calculations. Finally, a literature analysis of Gibbs energy of solvation of small molecules in organic liquids shows that the Onsager relation does not hold for real molecules since the correlation between ΔG(0) and 2(D-1)/(2D+1) is low for most solutes. Interestingly, explicit solvent calculations of the solvation free energy ( Zhang et al. J. Chem. Inf. Model . 2015 , 55 , 1192 - 1201 ) reproduce the weak

  6. Factors influencing university students' explicit and implicit sexual double standards.

    PubMed

    Sakaluk, John K; Milhausen, Robin R

    2012-01-01

    Quantitative research has resulted in inconsistent evidence for the existence of a sexual double standard, leading Crawford and Popp ( 2003 ) to issue a call for methodological innovation. The implicit association test (IAT; Greenwald, McGhee, & Schwartz, 1998 ) is a measure that may provide a means to examine the double standard without the contamination of the demand characteristics and social desirability biases that plague self-report research (Marks & Fraley, 2005 ). The purpose of this study was to examine the factors influencing explicit and implicit double standards, and to examine the relationship between these explicit and implicit double standards, and levels of socially desirable responding. One hundred and three university students completed a sexual double standard IAT, an explicit measure of the double standard, and measures of socially desirable responding. Hierarchical regression analysis indicated that levels of socially desirable responding were not related to implicit or explicit double standards. Men endorsed a stronger explicit traditional double standard than women, whereas for implicit sexual standards, men demonstrated a relatively gender-neutral evaluation and women demonstrated a strong reverse double standard. These results suggest the existence of a complex double standard, and indicate that more research of sexual attitudes should include implicit measures.

  7. Implicit and Explicit Measurements of Affective Responses to Food Odors.

    PubMed

    He, Wei; de Wijk, René A; de Graaf, Cees; Boesveldt, Sanne

    2016-10-01

    One of the main functions of olfaction is to activate approach/avoidance behavior, toward or away from people, foods, or other odor sources. These behaviors are partly automated and therefore poorly accessible via introspection. Explicit tests need therefore be complemented by implicit tests to provide additional insights into the underlying processes of these behaviors. Affective responses to seven food odors plus one control nonodor were assessed in 28 female participants (18-30 years) using explicit tests [pleasantness, intensity, and non-verbal emotional ratings (PrEmo)] as well as implicit tests that reflect dynamic expressive emotional reactions (facial expressions) as well as behavioral-preparation responses (autonomic nervous system responses: heart rate, skin conductance, and skin temperature). Explicit tests showed significant differences in pleasantness (P < 0.05), and all PrEmo emotions (P < 0.05) except shame. Explicit emotional responses were summarized by valence (explaining 83% of the responses variance) and arousal (14%) as principal components. Early implicit facial and ANS responses (after 1s) seem to reflect the odors' arousal, whereas later ANS responses (after 3-4s) reflected the odors' valence. The results suggest that explicit measures primarily reflect the odors' valence, as result of from relatively long (conscious) processing, which may be less relevant for odor acceptance in the real world where fast and automated processes based on arousal may play a larger role. PMID:27340136

  8. EdgeMaps: visualizing explicit and implicit relations

    NASA Astrophysics Data System (ADS)

    Dörk, Marian; Carpendale, Sheelagh; Williamson, Carey

    2011-01-01

    In this work, we introduce EdgeMaps as a new method for integrating the visualization of explicit and implicit data relations. Explicit relations are specific connections between entities already present in a given dataset, while implicit relations are derived from multidimensional data based on shared properties and similarity measures. Many datasets include both types of relations, which are often difficult to represent together in information visualizations. Node-link diagrams typically focus on explicit data connections, while not incorporating implicit similarities between entities. Multi-dimensional scaling considers similarities between items, however, explicit links between nodes are not displayed. In contrast, EdgeMaps visualize both implicit and explicit relations by combining and complementing spatialization and graph drawing techniques. As a case study for this approach we chose a dataset of philosophers, their interests, influences, and birthdates. By introducing the limitation of activating only one node at a time, interesting visual patterns emerge that resemble the aesthetics of fireworks and waves. We argue that the interactive exploration of these patterns may allow the viewer to grasp the structure of a graph better than complex node-link visualizations.

  9. Do implicit measures of attitudes incrementally predict snacking behaviour over explicit affect-related measures?

    PubMed

    Ayres, Karen; Conner, Mark T; Prestwich, Andrew; Smith, Paul

    2012-06-01

    Various studies have demonstrated an association between implicit measures of attitudes and dietary-related behaviours. However, no study has tested whether implicit measures of attitudes predict dietary behaviour after controlling for explicit measures of palatability. In a prospective design, two studies assessed the validity of measures of implicit attitude (Implicit Association Test, IAT) and explicit measures of palatability and health-related attitudes on self-reported (Studies 1 and 2) and objective food (fruit vs. chocolate) choice (Study 2). Following regression analyses, in both studies, implicit measures of attitudes were correlated with food choice but failed to significantly predict food choice when controlling specifically for explicit measures of palatability. These consistent relationships emerged despite using different category labels within the IAT in the two studies. The current research suggests implicit measures of attitudes may not predict dietary behaviours after taking into account the palatability of food. This is important in order to establish determinants that explain unique variance in dietary behaviours and to inform dietary change interventions.

  10. Prediction during statistical learning, and implications for the implicit/explicit divide

    PubMed Central

    Dale, Rick; Duran, Nicholas D.; Morehead, J. Ryan

    2012-01-01

    Accounts of statistical learning, both implicit and explicit, often invoke predictive processes as central to learning, yet practically all experiments employ non-predictive measures during training. We argue that the common theoretical assumption of anticipation and prediction needs clearer, more direct evidence for it during learning. We offer a novel experimental context to explore prediction, and report results from a simple sequential learning task designed to promote predictive behaviors in participants as they responded to a short sequence of simple stimulus events. Predictive tendencies in participants were measured using their computer mouse, the trajectories of which served as a means of tapping into predictive behavior while participants were exposed to very short and simple sequences of events. A total of 143 participants were randomly assigned to stimulus sequences along a continuum of regularity. Analysis of computer-mouse trajectories revealed that (a) participants almost always anticipate events in some manner, (b) participants exhibit two stable patterns of behavior, either reacting to vs. predicting future events, (c) the extent to which participants predict relates to performance on a recall test, and (d) explicit reports of perceiving patterns in the brief sequence correlates with extent of prediction. We end with a discussion of implicit and explicit statistical learning and of the role prediction may play in both kinds of learning. PMID:22723817

  11. The time course of explicit and implicit categorization.

    PubMed

    Smith, J David; Zakrzewski, Alexandria C; Herberger, Eric R; Boomer, Joseph; Roeder, Jessica L; Ashby, F Gregory; Church, Barbara A

    2015-10-01

    Contemporary theory in cognitive neuroscience distinguishes, among the processes and utilities that serve categorization, explicit and implicit systems of category learning that learn, respectively, category rules by active hypothesis testing or adaptive behaviors by association and reinforcement. Little is known about the time course of categorization within these systems. Accordingly, the present experiments contrasted tasks that fostered explicit categorization (because they had a one-dimensional, rule-based solution) or implicit categorization (because they had a two-dimensional, information-integration solution). In Experiment 1, participants learned categories under unspeeded or speeded conditions. In Experiment 2, they applied previously trained category knowledge under unspeeded or speeded conditions. Speeded conditions selectively impaired implicit category learning and implicit mature categorization. These results illuminate the processing dynamics of explicit/implicit categorization. PMID:26025556

  12. The time course of explicit and implicit categorization.

    PubMed

    Smith, J David; Zakrzewski, Alexandria C; Herberger, Eric R; Boomer, Joseph; Roeder, Jessica L; Ashby, F Gregory; Church, Barbara A

    2015-10-01

    Contemporary theory in cognitive neuroscience distinguishes, among the processes and utilities that serve categorization, explicit and implicit systems of category learning that learn, respectively, category rules by active hypothesis testing or adaptive behaviors by association and reinforcement. Little is known about the time course of categorization within these systems. Accordingly, the present experiments contrasted tasks that fostered explicit categorization (because they had a one-dimensional, rule-based solution) or implicit categorization (because they had a two-dimensional, information-integration solution). In Experiment 1, participants learned categories under unspeeded or speeded conditions. In Experiment 2, they applied previously trained category knowledge under unspeeded or speeded conditions. Speeded conditions selectively impaired implicit category learning and implicit mature categorization. These results illuminate the processing dynamics of explicit/implicit categorization.

  13. The Time Course of Explicit and Implicit Categorization

    PubMed Central

    Zakrzewski, Alexandria C.; Herberger, Eric; Boomer, Joseph; Roeder, Jessica; Ashby, F. Gregory; Church, Barbara A.

    2015-01-01

    Contemporary theory in cognitive neuroscience distinguishes, among the processes and utilities that serve categorization, explicit and implicit systems of category learning that learn, respectively, category rules by active hypothesis testing or adaptive behaviors by association and reinforcement. Little is known about the time course of categorization within these systems. Accordingly, the present experiments contrasted tasks that fostered explicit categorization (because they had a one-dimensional, rule-based solution) or implicit categorization (because they had a two-dimensional, information-integration solution). In Experiment 1, participants learned categories under unspeeded or speeded conditions. In Experiment 2, they applied previously trained category knowledge under unspeeded or speeded conditions. Speeded conditions selectively impaired implicit category learning and implicit mature categorization. These results illuminate the processing dynamics of explicit/implicit categorization. PMID:26025556

  14. Explicit rephasing invariant parametrization of the Cabibbo-Kobayashi-Maskawa matrix

    SciTech Connect

    Jin, C. Department of Physics, Northeast Normal University, Changchun )

    1994-04-01

    An explicit rephasing invariant parametrization of the Cabibbo-Kobayashi-Maskawa (CKM) matrix is presented. Its four parameters [vert bar][ital V][sub 12][vert bar], [vert bar][ital V][sub 23][vert bar], [vert bar][ital V][sub 13][vert bar], and [phi][sub 13] are directly measurable. The phenomenological approximation of the parametrization is also obtained, which shows more clearly the correlations between the elements of the CKM matrix. The present bounds on the phase angle [phi][sub 13] are 31[degree][le][phi][sub 13][le]148[degree] coming from the [ital CP]-violating quantity [epsilon] in the kaon system.

  15. Fire in the Brazilian Amazon: A Spatially Explicit Model for Policy Impact Analysis

    NASA Technical Reports Server (NTRS)

    Arima, Eugenio Y.; Simmons, Cynthia S.; Walker, Robert T.; Cochrane, Mark A.

    2007-01-01

    This article implements a spatially explicit model to estimate the probability of forest and agricultural fires in the Brazilian Amazon. We innovate by using variables that reflect farmgate prices of beef and soy, and also provide a conceptual model of managed and unmanaged fires in order to simulate the impact of road paving, cattle exports, and conservation area designation on the occurrence of fire. Our analysis shows that fire is positively correlated with the price of beef and soy, and that the creation of new conservation units may offset the negative environmental impacts caused by the increasing number of fire events associated with early stages of frontier development.

  16. Periodically correlated processes and their stationary dilations

    NASA Technical Reports Server (NTRS)

    Miamee, A. G.

    1988-01-01

    An explicit form for a stationary dilation for periodically correlated random processes is obtained. This is then used to give spectral conditions for a periodically correlated process to be non-deterministic, purely deterministic, minimal, and to have a positive angle between its past and future.

  17. The Intergenerational Transmission of Implicit and Explicit Attitudes Toward Smoking

    PubMed Central

    Sherman, Steven J.; Chassin, Laurie; Presson, Clark; Seo, Dong-Chul; Macy, Jonathan T.

    2009-01-01

    This study examined the intergenerational transmission of implicit and explicit attitudes toward smoking, as well as the role of these attitudes in adolescents’ smoking initiation. There was evidence of intergenerational transmission of implicit attitudes. Mothers who had more positive implicit attitudes had children with more positive implicit attitudes. In turn, these positive implicit attitudes of adolescents predicted their smoking initiation 18-months later. Moreover, these effects were obtained above and beyond the effects of explicit attitudes. These findings provide the first evidence that the intergenerational transmission of implicit cognition may play a role in the intergenerational transmission of an addictive behavior. PMID:20126293

  18. Phase-coherent communications without explicit phase tracking.

    PubMed

    Song, H C; Hodgkiss, W S; van Walree, P A

    2010-09-01

    Phase-coherent communications typically requires a reliable phase-tracking algorithm. An initial phase estimate with training symbols allows a receiver to compensate for a motion-induced Doppler shift. Following the training period, however, explicit phase tracking can be avoided in time reversal communications that has been implemented on a block-by-block basis to accommodate time-varying channels. This is accomplished by a smaller block size and adaptive channel estimation using previously detected symbols on a symbol-by-symbol basis. The proposed time reversal approach without explicit phase tracking is demonstrated using experimental data (12-20 kHz) in shallow water.

  19. Parabosons, parafermions, and explicit representations of infinite-dimensional algebras

    SciTech Connect

    Stoilova, N. I.; Van der Jeugt, J.

    2010-03-15

    The goal of this paper is to give an explicit construction of the Fock spaces of the parafermion and the paraboson algebra, for an infinite set of generators. This is equivalent to constructing certain unitary irreducible lowest weight representations of the (infinite rank) Lie algebra so({infinity}) and of the Lie superalgebra osp(1 vertical bar {infinity}). A complete solution to the problem is presented, in which the Fock spaces have basis vectors labeled by certain infinite but stable Gelfand-Zetlin patterns, and the transformation of the basis is given explicitly. Alternatively, the basis vectors can be expressed as semi-standard Young tableaux.

  20. Parabosons, parafermions, and explicit representations of infinite-dimensional algebras

    NASA Astrophysics Data System (ADS)

    Stoilova, N. I.; van der Jeugt, J.

    2010-03-01

    The goal of this paper is to give an explicit construction of the Fock spaces of the parafermion and the paraboson algebra, for an infinite set of generators. This is equivalent to constructing certain unitary irreducible lowest weight representations of the (infinite rank) Lie algebra so(∞) and of the Lie superalgebra osp(1|∞). A complete solution to the problem is presented, in which the Fock spaces have basis vectors labeled by certain infinite but stable Gelfand-Zetlin patterns, and the transformation of the basis is given explicitly. Alternatively, the basis vectors can be expressed as semi-standard Young tableaux.

  1. Modeling Trends from North American Breeding Bird Survey Data: A Spatially Explicit Approach

    PubMed Central

    Bled, Florent; Sauer, John; Pardieck, Keith; Doherty, Paul; Royle, J. Andrew

    2013-01-01

    Population trends, defined as interval-specific proportional changes in population size, are often used to help identify species of conservation interest. Efficient modeling of such trends depends on the consideration of the correlation of population changes with key spatial and environmental covariates. This can provide insights into causal mechanisms and allow spatially explicit summaries at scales that are of interest to management agencies. We expand the hierarchical modeling framework used in the North American Breeding Bird Survey (BBS) by developing a spatially explicit model of temporal trend using a conditional autoregressive (CAR) model. By adopting a formal spatial model for abundance, we produce spatially explicit abundance and trend estimates. Analyses based on large-scale geographic strata such as Bird Conservation Regions (BCR) can suffer from basic imbalances in spatial sampling. Our approach addresses this issue by providing an explicit weighting based on the fundamental sample allocation unit of the BBS. We applied the spatial model to three species from the BBS. Species have been chosen based upon their well-known population change patterns, which allows us to evaluate the quality of our model and the biological meaning of our estimates. We also compare our results with the ones obtained for BCRs using a nonspatial hierarchical model (Sauer and Link 2011). Globally, estimates for mean trends are consistent between the two approaches but spatial estimates provide much more precise trend estimates in regions on the edges of species ranges that were poorly estimated in non-spatial analyses. Incorporating a spatial component in the analysis not only allows us to obtain relevant and biologically meaningful estimates for population trends, but also enables us to provide a flexible framework in order to obtain trend estimates for any area. PMID:24349141

  2. Modeling trends from North American Breeding Bird Survey data: a spatially explicit approach

    USGS Publications Warehouse

    Bled, Florent; Sauer, John R.; Pardieck, Keith L.; Doherty, Paul; Royle, J. Andy

    2013-01-01

    Population trends, defined as interval-specific proportional changes in population size, are often used to help identify species of conservation interest. Efficient modeling of such trends depends on the consideration of the correlation of population changes with key spatial and environmental covariates. This can provide insights into causal mechanisms and allow spatially explicit summaries at scales that are of interest to management agencies. We expand the hierarchical modeling framework used in the North American Breeding Bird Survey (BBS) by developing a spatially explicit model of temporal trend using a conditional autoregressive (CAR) model. By adopting a formal spatial model for abundance, we produce spatially explicit abundance and trend estimates. Analyses based on large-scale geographic strata such as Bird Conservation Regions (BCR) can suffer from basic imbalances in spatial sampling. Our approach addresses this issue by providing an explicit weighting based on the fundamental sample allocation unit of the BBS. We applied the spatial model to three species from the BBS. Species have been chosen based upon their well-known population change patterns, which allows us to evaluate the quality of our model and the biological meaning of our estimates. We also compare our results with the ones obtained for BCRs using a nonspatial hierarchical model (Sauer and Link 2011). Globally, estimates for mean trends are consistent between the two approaches but spatial estimates provide much more precise trend estimates in regions on the edges of species ranges that were poorly estimated in non-spatial analyses. Incorporating a spatial component in the analysis not only allows us to obtain relevant and biologically meaningful estimates for population trends, but also enables us to provide a flexible framework in order to obtain trend estimates for any area.

  3. All-electron self-consistent G W in the Matsubara-time domain: Implementation and benchmarks of semiconductors and insulators

    NASA Astrophysics Data System (ADS)

    Chu, Iek-Heng; Trinastic, Jonathan P.; Wang, Yun-Peng; Eguiluz, Adolfo G.; Kozhevnikov, Anton; Schulthess, Thomas C.; Cheng, Hai-Ping

    2016-03-01

    The G W approximation is a well-known method to improve electronic structure predictions calculated within density functional theory. In this work, we have implemented a computationally efficient G W approach that calculates central properties within the Matsubara-time domain using the modified version of elk, the full-potential linearized augmented plane wave (FP-LAPW) package. Continuous-pole expansion (CPE), a recently proposed analytic continuation method, has been incorporated and compared to the widely used Padé approximation. Full crystal symmetry has been employed for computational speedup. We have applied our approach to 18 well-studied semiconductors/insulators that cover a wide range of band gaps computed at the levels of single-shot G0W0 , partially self-consistent G W0 , and fully self-consistent G W (full-G W ), in conjunction with the diagonal approximation. Our calculations show that G0W0 leads to band gaps that agree well with experiment for the case of simple s -p electron systems, whereas full-G W is required for improving the band gaps in 3 d electron systems. In addition, G W0 almost always predicts larger band gap values compared to full-G W , likely due to the substantial underestimation of screening effects as well as the diagonal approximation. Both the CPE method and Padé approximation lead to similar band gaps for most systems except strontium titantate, suggesting that further investigation into the latter approximation is necessary for strongly correlated systems. Moreover, the calculated cation d band energies suggest that both full-G W and G W0 lead to results in good agreement with experiment. Our computed band gaps serve as important benchmarks for the accuracy of the Matsubara-time G W approach.

  4. Measuring Implicit and Explicit Attitudes toward Foreign-Accented Speech

    ERIC Educational Resources Information Center

    Pantos, Andrew J.

    2010-01-01

    The purpose of this research was to investigate the nature of listeners' attitudes toward foreign-accented speech and the manner in which those attitudes are formed. This study measured 165 participants' implicit and explicit attitudes toward US- and foreign-accented audio stimuli. Implicit attitudes were measured with an audio Implicit…

  5. Explicit construction of the classical BRST charge for nonlinear algebras

    NASA Astrophysics Data System (ADS)

    Bratchikov, Andrei V.

    2012-02-01

    We give an explicit formula for the Becchi-Rouet-Stora-Tyutin (BRST) charge associated with Poisson superalgebras. To this end, we split the master equation for the BRST charge into a pair of equations such that one of themis equivalent to the original one and find a solution to this equation. The solution possesses a graphical representation in terms of diagrams.

  6. Qualitative Differences between Implicit and Explicit Sequence Learning

    ERIC Educational Resources Information Center

    Jimenez, Luis; Vaquero, Joaquin M. M.; Lupianez, Juan

    2006-01-01

    Four experiments investigate the differences between implicit and explicit sequence learning concerning their resilience to structural and superficial task changes. A superficial change that embedded the SRT task in the context of a selection task, while maintaining the sequence, did selectively hinder the expression of implicit learning. In…

  7. Stable explicit schemes for equations of Schroedinger type

    NASA Technical Reports Server (NTRS)

    Mickens, Ronald E.

    1989-01-01

    A method for constructing explicit finite-difference schemes which can be used to solve Schroedinger-type partial-differential equations is presented. A forward Euler scheme that is conditionally stable is given by the procedure. The results presented are based on the analysis of the simplest Schroedinger type equation.

  8. Effect of explicit dimensional instruction on speech category learning.

    PubMed

    Chandrasekaran, Bharath; Yi, Han-Gyol; Smayda, Kirsten E; Maddox, W Todd

    2016-02-01

    Learning nonnative speech categories is often considered a challenging task in adulthood. This difficulty is driven by cross-language differences in weighting critical auditory dimensions that differentiate speech categories. For example, previous studies have shown that differentiating Mandarin tonal categories requires attending to dimensions related to pitch height and direction. Relative to native speakers of Mandarin, the pitch direction dimension is underweighted by native English speakers. In the current study, we examined the effect of explicit instructions (dimension instruction) on native English speakers' Mandarin tone category learning within the framework of a dual-learning systems (DLS) model. This model predicts that successful speech category learning is initially mediated by an explicit, reflective learning system that frequently utilizes unidimensional rules, with an eventual switch to a more implicit, reflexive learning system that utilizes multidimensional rules. Participants were explicitly instructed to focus and/or ignore the pitch height dimension, the pitch direction dimension, or were given no explicit prime. Our results show that instruction instructing participants to focus on pitch direction, and instruction diverting attention away from pitch height, resulted in enhanced tone categorization. Computational modeling of participant responses suggested that instruction related to pitch direction led to faster and more frequent use of multidimensional reflexive strategies and enhanced perceptual selectivity along the previously underweighted pitch direction dimension.

  9. Revising Geology Labs To Explicitly Use the Scientific Method.

    ERIC Educational Resources Information Center

    Hannula, Kimberly A.

    2003-01-01

    Proposes that content- or skill-based labs can be revised to explicitly involve the scientific method by asking students to propose hypotheses before making observations. Students' self-assessment showed they felt that they learned a great deal from this style of labs and found the labs to be fun; however, students felt that they learned little…

  10. Explicit News Writing Rules and the Intuitive "Good Ear."

    ERIC Educational Resources Information Center

    Abbott, Clifford; Slattery, Karen

    1990-01-01

    Argues that news-writing instruction that relies on explicit rules is inadequate because: (1) rule violations are common; (2) some rules work well only in particular situations; and (3) some rules overgeneralize. Identifies the difficulty of teaching students to develop a "good ear" for writing. Concludes that instruction must balance rule-based…

  11. Explicit versus implicit social cognition testing in autism spectrum disorder.

    PubMed

    Callenmark, Björn; Kjellin, Lars; Rönnqvist, Louise; Bölte, Sven

    2014-08-01

    Although autism spectrum disorder is defined by reciprocal social-communication impairments, several studies have found no evidence for altered social cognition test performance. This study examined explicit (i.e. prompted) and implicit (i.e. spontaneous) variants of social cognition testing in autism spectrum disorder. A sample of 19 adolescents with autism spectrum disorder and 19 carefully matched typically developing controls completed the Dewey Story Test. 'Explicit' (multiple-choice answering format) and 'implicit' (free interview) measures of social cognition were obtained. Autism spectrum disorder participants did not differ from controls regarding explicit social cognition performance. However, the autism spectrum disorder group performed more poorly than controls on implicit social cognition performance in terms of spontaneous perspective taking and social awareness. Findings suggest that social cognition alterations in autism spectrum disorder are primarily implicit in nature and that an apparent absence of social cognition difficulties on certain tests using rather explicit testing formats does not necessarily mean social cognition typicality in autism spectrum disorder.

  12. Beyond Explicit Rule Learning: Automatizing Second Language Morphosyntax.

    ERIC Educational Resources Information Center

    DeKeyser, Robert M.

    1997-01-01

    Presents a fine-grained analysis of extensive empirical data on the automatization of explicitly learned rules of morphosyntax in a second language. Results indicate that the learning of morphosyntactic rules is highly skill-specific and that these skills develop gradually over time, adhering to the same power function learning curve as the…

  13. The Role of Explicit Need Strength for Emotions during Learning

    ERIC Educational Resources Information Center

    Flunger, Barbara; Pretsch, Johanna; Schmitt, Manfred; Ludwig, Peter

    2013-01-01

    According to self-determination theory, the satisfaction of the basic needs for autonomy, competence, and relatedness influences achievement emotions and situational interest. The present study investigated whether domain-specific explicit need strength moderated the impact of need satisfaction/dissatisfaction on the outcomes achievement emotions…

  14. Explicit versus Implicit Social Cognition Testing in Autism Spectrum Disorder

    ERIC Educational Resources Information Center

    Callenmark, Björn; Kjellin, Lars; Rönnqvist, Louise; Bölte, Sven

    2014-01-01

    Although autism spectrum disorder is defined by reciprocal social-communication impairments, several studies have found no evidence for altered social cognition test performance. This study examined explicit (i.e. prompted) and implicit (i.e. spontaneous) variants of social cognition testing in autism spectrum disorder. A sample of 19 adolescents…

  15. Attention to Explicit and Implicit Contrast in Verb Learning

    ERIC Educational Resources Information Center

    Childers, Jane B.; Hirshkowitz, Amy; Benavides, Kristin

    2014-01-01

    Contrast information could be useful for verb learning, but few studies have examined children's ability to use this type of information. Contrast may be useful when children are told explicitly that different verbs apply, or when they hear two different verbs in a single context. Three studies examine children's attention to different…

  16. Explicitly Representing Soil Microbial Processes In Earth System Models

    SciTech Connect

    Wieder, William R.; Allison, Steven D.; Davidson, Eric A.; Georgiou, Katrina; Hararuk, Oleksandra; He, Yujie; Hopkins, Francesca; Luo, Yiqi; Smith, Mathew J.; Sulman, Benjamin; Todd-Brown, Katherine EO; Wang, Ying-Ping; Xia, Jianyang; Xu, Xiaofeng

    2015-10-26

    Microbes influence soil organic matter (SOM) decomposition and the long-term stabilization of carbon (C) in soils. We contend that by revising the representation of microbial processes and their interactions with the physicochemical soil environment, Earth system models (ESMs) may make more realistic global C cycle projections. Explicit representation of microbial processes presents considerable challenges due to the scale at which these processes occur. Thus, applying microbial theory in ESMs requires a framework to link micro-scale process-level understanding and measurements to macro-scale models used to make decadal- to century-long projections. Here, we review the diversity, advantages, and pitfalls of simulating soil biogeochemical cycles using microbial-explicit modeling approaches. We present a roadmap for how to begin building, applying, and evaluating reliable microbial-explicit model formulations that can be applied in ESMs. Drawing from experience with traditional decomposition models we suggest: (1) guidelines for common model parameters and output that can facilitate future model intercomparisons; (2) development of benchmarking and model-data integration frameworks that can be used to effectively guide, inform, and evaluate model parameterizations with data from well-curated repositories; and (3) the application of scaling methods to integrate microbial-explicit soil biogeochemistry modules within ESMs. With contributions across scientific disciplines, we feel this roadmap can advance our fundamental understanding of soil biogeochemical dynamics and more realistically project likely soil C response to environmental change at global scales.

  17. Presenting Lexical Bundles for Explicit Noticing with Schematic Linguistic Representation

    ERIC Educational Resources Information Center

    Thomson, Haidee Elizabeth

    2016-01-01

    Lexical bundles are essential for fluency, but their incompleteness is a stumbling block for learners. In this study, two presentation methods to increase awareness of lexical bundles through explicit noticing are explored and compared with incidental exposure. The three conditions in this study were as follows: noticing with schematic linguistic…

  18. Comparing Switch Costs: Alternating Runs and Explicit Cuing

    ERIC Educational Resources Information Center

    Altmann, Erik M.

    2007-01-01

    The task-switching literature routinely conflates different operational definitions of switch cost, its predominant behavioral measure. This article is an attempt to draw attention to differences between the two most common definitions, alternating-runs switch cost (ARS) and explicit-cuing switch cost (ECS). ARS appears to include both the costs…

  19. Being Explicit about Modeling: A First Person Study in India

    ERIC Educational Resources Information Center

    Setty, Rohit Boggarm

    2013-01-01

    In this dissertation, I examine the work involved in teacher educator modeling. In particular, the study is concerned with modeling that aims to explicitly make teaching practices visible, learnable, and that does so in particularly demonstrative ways. One form of this type of modeling is what I term "dialogic modeling." The study…

  20. Effect of explicit dimension instruction on speech category learning

    PubMed Central

    Chandrasekaran, Bharath; Yi, Han-Gyol; Smayda, Kirsten E.; Maddox, W. Todd

    2015-01-01

    Learning non-native speech categories is often considered a challenging task in adulthood. This difficulty is driven by cross-language differences in weighting critical auditory dimensions that differentiate speech categories. For example, previous studies have shown that differentiating Mandarin tonal categories requires attending to dimensions related to pitch height and direction. Relative to native speakers of Mandarin, the pitch direction dimension is under-weighted by native English speakers. In the current study, we examined the effect of explicit instructions (dimension instruction) on native English speakers' Mandarin tone category learning within the framework of a dual-learning systems (DLS) model. This model predicts that successful speech category learning is initially mediated by an explicit, reflective learning system that frequently utilizes unidimensional rules, with an eventual switch to a more implicit, reflexive learning system that utilizes multidimensional rules. Participants were explicitly instructed to focus and/or ignore the pitch height dimension, the pitch direction dimension, or were given no explicit prime. Our results show that instruction instructing participants to focus on pitch direction, and instruction diverting attention away from pitch height resulted in enhanced tone categorization. Computational modeling of participant responses suggested that instruction related to pitch direction led to faster and more frequent use of multidimensional reflexive strategies, and enhanced perceptual selectivity along the previously underweighted pitch direction dimension. PMID:26542400

  1. "See Translation": Explicit and Implicit Language Policies on Facebook

    ERIC Educational Resources Information Center

    Hendus, Ulrike

    2015-01-01

    The currently tested "See Translation" button can be considered an expression of Facebook's explicit language policy. It offers the users fast and easy translations of others' status updates and can therefore be seen as diminishing language barriers and reducing the need for a lingua franca in polylingual networks, thus enhancing…

  2. Implicit and Explicit Learning in Individuals with Agrammatic Aphasia

    ERIC Educational Resources Information Center

    Schuchard, Julia; Thompson, Cynthia K.

    2014-01-01

    Implicit learning is a process of acquiring knowledge that occurs without conscious awareness of learning, whereas explicit learning involves the use of overt strategies. To date, research related to implicit learning following stroke has been largely restricted to the motor domain and has rarely addressed implications for language. The present…

  3. Representing Learning Designs--Making Design Explicit and Shareable

    ERIC Educational Resources Information Center

    Conole, Grainne; Wills, Sandra

    2013-01-01

    Most teachers' design practice is implicit and practice based, focusing primarily on discipline content. In recent years, a number of visual design representations have emerged that help guide teachers' design practice, enabling them to create explicit designs, which can then be shared and discussed with others. These design representations help…

  4. Implicit-explicit Godunov schemes for unsteady gas dynamics

    SciTech Connect

    Collins, J.P.

    1992-12-31

    Hybrid implicit-explicit schemes are developed for Eulerian hydrodynamics in one and two space dimensions. The hybridization is a continuous switch and operates on each characteristic field separately. The explicit scheme is a version of the second order Godunov scheme; the implicit method is only first order accurate in time but leads to second order accurate steady states. This methodology is developed for linear advection, nonlinear scalar problems, hyperbolic constant co-efficient systems, and for gas dynamics. Truncation error and stability analyses are done for the linear cases. This implicit-explicit strategy is intended for problems with spatially or temporally localized stiffness in wave speeds. By stiffness we mean that the high speed modes contain very little energy, yet they determine the explicit time step through the CFL condition. For hydrodynamics, the main examples are nearly incompressible flow, flows with embedded boundary layers, and magnetohydrodynamics; the latter two examples are not treated here. Several numerical results are presented to demonstrate this method. These include, stable numerical shocks at very high CFL numbers, one-dimensional flow in a duct, and low Mach number shear layers.

  5. Explicit- and Implicit Bullying Attitudes in Relation to Bullying Behavior

    ERIC Educational Resources Information Center

    van Goethem, Anne A. J.; Scholte, Ron H. J.; Wiers, Reinout W.

    2010-01-01

    The main aim of this study was to examine whether an assessment of implicit bullying attitudes could add to the prediction of bullying behavior after controlling for explicit bullying attitudes. Primary school children (112 boys and 125 girls, M age = 11 years, 5 months) completed two newly developed measures of implicit bullying attitudes (a…

  6. Working Towards Explicit Modelling: Experiences of a New Teacher Educator

    ERIC Educational Resources Information Center

    White, Elizabeth

    2011-01-01

    As a new teacher educator of beginner teachers on the Graduate Teacher Programme in a large School of Education in a UK university, I have reflected on how I have been able to develop the effectiveness of modelling good professional practice to student-teachers. In this paper I will present ways in which I have made modelling more explicit, how…

  7. General Equilibrium in a Nutshell: An Explicit Function Example.

    ERIC Educational Resources Information Center

    Yunker, James A.

    1998-01-01

    Describes a general equilibrium model that fills the gap between the general function models described in price-theory textbooks and the numerical practice of general equilibrium analysis used in contemporary policy assessment. This model uses explicit mathematical forms but general parameter values. Includes graphs and statistical tables. (MJP)

  8. Making the Tacit Explicit: Children's Strategies for Classroom Writing

    ERIC Educational Resources Information Center

    Silby, Alison; Watts, Mike

    2015-01-01

    A key highlight of this study is generating evidence of children "making aware the unaware", making tacit knowledge explicit. The research explores the levels of awareness in thinking used by eight 7-8 year-old children when engaged in school-based genre writing tasks. The focus is on analysing children's awareness of their thought…

  9. Explicit Integration of Extremely Stiff Reaction Networks: Asymptotic Methods

    SciTech Connect

    Guidry, Mike W; Budiardja, R.; Feger, E.; Billings, J. J.; Hix, William Raphael; Messer, O.E.B.; Roche, K. J.; McMahon, E.; He, M.

    2013-01-01

    We show that, even for extremely stiff systems, explicit integration may compete in both accuracy and speed with implicit methods if algebraic methods are used to stabilize the numerical integration. The stabilizing algebra differs for systems well removed from equilibrium and those near equilibrium. This paper introduces a quantitative distinction between these two regimes and addresses the former case in depth, presenting explicit asymptotic methods appropriate when the system is extremely stiff but only weakly equilibrated. A second paper [1] examines quasi-steady-state methods as an alternative to asymptotic methods in systems well away from equilibrium and a third paper [2] extends these methods to equilibrium conditions in extremely stiff systems using partial equilibrium methods. All three papers present systematic evidence for timesteps competitive with implicit methods. Because explicit methods can execute a timestep faster than an implicit method, our results imply that algebraically stabilized explicit algorithms may offer a means to integration of larger networks than have been feasible previously in various disciplines.

  10. Are Explicit Apologies Proportional to the Offenses They Address?

    ERIC Educational Resources Information Center

    Heritage, John; Raymond, Chase Wesley

    2016-01-01

    We consider here Goffman's proposal of proportionality between virtual offenses and remedial actions, based on the examination of 102 cases of explicit apologies. To this end, we offer a typology of the primary apology formats within the dataset, together with a broad categorization of the types of virtual offenses to which these apologies are…

  11. Implicit and Explicit Recasts in L2 Oral French Interaction

    ERIC Educational Resources Information Center

    Erlam, Rosemary; Loewen, Shawn

    2010-01-01

    This laboratory-based study of second- and third-year American university students learning French examines the effectiveness of implicit and explicit corrective feedback on noun-adjective agreement errors. The treatment consisted of one hour of interactive tasks. Implicit feedback was operationalized as a single recast with interrogative…

  12. Challenging Stereotypes about Academic Writing: Complexity, Elaboration, Explicitness

    ERIC Educational Resources Information Center

    Biber, Douglas; Gray, Bethany

    2010-01-01

    The stereotypical view of professional academic writing is that it is grammatically complex, with elaborated structures, and with meaning relations expressed explicitly. In contrast, spoken registers, especially conversation, are believed to have the opposite characteristics. Our goal in the present paper is to challenge these stereotypes, based…

  13. Implicit and Explicit Learning in Young Adults with Mental Retardation.

    ERIC Educational Resources Information Center

    Atwell, Julie A.; Conners, Frances A.; Merrill, Edward C.

    2003-01-01

    Young adults with (n=34) and without (n=41) mental retardation completed a sequence-learning and identification task. For some, sequences were constructed following an artificial grammar. Explicit learning was determined by ability to learn and identify random sequences, implicit learning by the tendency to identify incorrectly new grammatical…

  14. Explicitly representing soil microbial processes in Earth system models

    NASA Astrophysics Data System (ADS)

    Wieder, William R.; Allison, Steven D.; Davidson, Eric A.; Georgiou, Katerina; Hararuk, Oleksandra; He, Yujie; Hopkins, Francesca; Luo, Yiqi; Smith, Matthew J.; Sulman, Benjamin; Todd-Brown, Katherine; Wang, Ying-Ping; Xia, Jianyang; Xu, Xiaofeng

    2015-10-01

    Microbes influence soil organic matter decomposition and the long-term stabilization of carbon (C) in soils. We contend that by revising the representation of microbial processes and their interactions with the physicochemical soil environment, Earth system models (ESMs) will make more realistic global C cycle projections. Explicit representation of microbial processes presents considerable challenges due to the scale at which these processes occur. Thus, applying microbial theory in ESMs requires a framework to link micro-scale process-level understanding and measurements to macro-scale models used to make decadal- to century-long projections. Here we review the diversity, advantages, and pitfalls of simulating soil biogeochemical cycles using microbial-explicit modeling approaches. We present a roadmap for how to begin building, applying, and evaluating reliable microbial-explicit model formulations that can be applied in ESMs. Drawing from experience with traditional decomposition models, we suggest the following: (1) guidelines for common model parameters and output that can facilitate future model intercomparisons; (2) development of benchmarking and model-data integration frameworks that can be used to effectively guide, inform, and evaluate model parameterizations with data from well-curated repositories; and (3) the application of scaling methods to integrate microbial-explicit soil biogeochemistry modules within ESMs. With contributions across scientific disciplines, we feel this roadmap can advance our fundamental understanding of soil biogeochemical dynamics and more realistically project likely soil C response to environmental change at global scales.

  15. Explicit Code and Comprehension Instruction for English Learners

    ERIC Educational Resources Information Center

    Manyak, Patrick C.; Bauer, Eurydice B.

    2008-01-01

    Explicit code and comprehension instruction is important for English learners (ELs), and several key findings from research on young ELs learning to read initially in English can offer guidelines for developing effective code-based instruction for these children. The authors of this column address comprehension instruction for ELs, suggesting…

  16. Flexibles Grouping, Explicit Reading Instruction in Elementary School

    ERIC Educational Resources Information Center

    Dubé, France; Dorval, Catherine; Bessette, Lyne

    2013-01-01

    The objective of this collaborative research is to evaluate the impact of a pedagogical intervention that combines flexible grouping and explicit instruction of reading comprehension strategies. The development of competencies is spread over a two years interval. However, despite this quite long implementation period, several Quebec students still…

  17. Making the Implicit Explicit: Supporting Teachers to Bridge Cultures

    ERIC Educational Resources Information Center

    Rothstein-Fisch, Carrie; Trumbull, Elise; Garcia, Sandra Gloria

    2009-01-01

    In this paper, we report the results of a longitudinal action research project in which elementary teachers used a cultural framework (individualism-collectivism) to understand differences between the culture of immigrant Latino families and the culture of U.S. schools. Making explicit the culture-based beliefs implicit in home and school…

  18. Bodily self: an implicit knowledge of what is explicitly unknown.

    PubMed

    Frassinetti, Francesca; Ferri, Francesca; Maini, Manuela; Benassi, Maria Grazia; Gallese, Vittorio

    2011-07-01

    We tested the hypothesis that the body self-advantage, i.e., the facilitation in discriminating self versus other people's body-effectors, is the expression of an implicit and body-specific knowledge, based mainly on the sensorimotor representation of one's own body-effectors. Alternatively, the body self-advantage could rely on visual recognition of pictorial cues. According to the first hypothesis, using gray-scale pictures of body-parts, the body self-advantage should emerge when self-body recognition is implicitly required and should be specific for body-effectors and not for inanimate-objects. In contrast, if the self-advantage is due to a mere visual-perceptual facilitation, it should be independent of the implicit or explicit request (and could be extended also to objects). To disentangle these hypotheses, healthy participants were implicitly or explicitly required to recognize either their own body-effectors or inanimate-objects. Participants were more accurate in the implicit task with self rather than with others' body-effectors. In contrast, the self-advantage was not found when an explicit recognition of one's own body-effectors was required, suggesting that the body self-advantage relies upon a sensorimotor, rather than a mere visual representation of one's own body. Moreover, the absence of both self/other and implicit/explicit effects, when processing inanimate-objects, underlines the differences between the body and other objects. PMID:21553263

  19. Explicit Constructivism: A Missing Link in Ineffective Lectures?

    ERIC Educational Resources Information Center

    Prakash, E. S.

    2010-01-01

    This study tested the possibility that interactive lectures explicitly based on activating learners' prior knowledge and driven by a series of logical questions might enhance the effectiveness of lectures. A class of 54 students doing the respiratory system course in the second year of the Bachelor of Medicine and Bachelor of Surgery program in my…

  20. Optimizing Language Instruction: Matters of Explicitness, Practice, and Cue Learning

    ERIC Educational Resources Information Center

    Stafford, Catherine A.; Bowden, Harriet Wood; Sanz, Cristina

    2012-01-01

    Input exposure is essential for nonprimary language learning, but the importance of explicit instruction and corrective feedback continues to be debated. If instruction is required, how might it be optimized in terms of its nature and timing? In this study, 65 Spanish-English bilinguals were introduced to Latin through an interactive computer…

  1. A Framework for Explicit Vocabulary Instruction with English Language Learners

    ERIC Educational Resources Information Center

    Nisbet, Deanna L.; Tindall, Evie R.

    2015-01-01

    Academic vocabulary development is critical to the success of all learners--particularly English language learners (ELLs). This article presents a framework for integrating explicit academic vocabulary instruction for ELLs into middle school classrooms. The framework embodies five research-based principles and serves as a vehicle for structuring…

  2. Bodily self: an implicit knowledge of what is explicitly unknown.

    PubMed

    Frassinetti, Francesca; Ferri, Francesca; Maini, Manuela; Benassi, Maria Grazia; Gallese, Vittorio

    2011-07-01

    We tested the hypothesis that the body self-advantage, i.e., the facilitation in discriminating self versus other people's body-effectors, is the expression of an implicit and body-specific knowledge, based mainly on the sensorimotor representation of one's own body-effectors. Alternatively, the body self-advantage could rely on visual recognition of pictorial cues. According to the first hypothesis, using gray-scale pictures of body-parts, the body self-advantage should emerge when self-body recognition is implicitly required and should be specific for body-effectors and not for inanimate-objects. In contrast, if the self-advantage is due to a mere visual-perceptual facilitation, it should be independent of the implicit or explicit request (and could be extended also to objects). To disentangle these hypotheses, healthy participants were implicitly or explicitly required to recognize either their own body-effectors or inanimate-objects. Participants were more accurate in the implicit task with self rather than with others' body-effectors. In contrast, the self-advantage was not found when an explicit recognition of one's own body-effectors was required, suggesting that the body self-advantage relies upon a sensorimotor, rather than a mere visual representation of one's own body. Moreover, the absence of both self/other and implicit/explicit effects, when processing inanimate-objects, underlines the differences between the body and other objects.

  3. Solvent Reaction Field Potential inside an Uncharged Globular Protein: A Bridge between Implicit and Explicit Solvent Models?

    PubMed Central

    Baker, Nathan A.; McCammon, J. Andrew

    2008-01-01

    The solvent reaction field potential of an uncharged protein immersed in Simple Point Charge/Extended (SPC/E) explicit solvent was computed over a series of molecular dynamics trajectories, intotal 1560 ns of simulation time. A finite, positive potential of 13 to 24 kbTec−1 (where T = 300K), dependent on the geometry of the solvent-accessible surface, was observed inside the biomolecule. The primary contribution to this potential arose from a layer of positive charge density 1.0 Å from the solute surface, on average 0.008 ec/Å3, which we found to be the product of a highly ordered first solvation shell. Significant second solvation shell effects, including additional layers of charge density and a slight decrease in the short-range solvent-solvent interaction strength, were also observed. The impact of these findings on implicit solvent models was assessed by running similar explicit-solvent simulations on the fully charged protein system. When the energy due to the solvent reaction field in the uncharged system is accounted for, correlation between per-atom electrostatic energies for the explicit solvent model and a simple implicit (Poisson) calculation is 0.97, and correlation between per-atom energies for the explicit solvent model and a previously published, optimized Poisson model is 0.99. PMID:17949217

  4. [Applicability analysis of spatially explicit model of leaf litter in evergreen broad-leaved forests].

    PubMed

    Zhao, Qing-Qing; Liu, He-Ming; Jonard, Mathieu; Wang, Zhang-Hua; Wang, Xi-Hua

    2014-11-01

    The spatially explicit model of leaf litter can help to understand its dispersal process, which is very important to predict the distribution pattern of leaves on the surface of the earth. In this paper, the spatially explicit model of leaf litter was developed for 20 tree species using litter trap data from the mapped forest plot in an evergreen broad-leaved forest in Tiantong, Zhejiang Pro- vince, eastern China. Applicability of the model was analyzed. The model assumed an allometric equation between diameter at breast height (DBH) and leaf litter amount, and the leaf litter declined exponentially with the distance. Model parameters were estimated by the maximum likelihood method. Results showed that the predicted and measured leaf litter amounts were significantly correlated, but the prediction accuracies varied widely for the different tree species, averaging at 49.3% and ranging from 16.0% and 74.0%. Model qualities of tree species significantly correlated with the standard deviations of the leaf litter amount per trap, DBH of the tree species and the average leaf dry mass of tree species. There were several ways to improve the forecast precision of the model, such as installing the litterfall traps according to the distribution of the tree to cover the different classes of the DBH and distance apart from the parent trees, determining the optimal dispersal function of each tree species, and optimizing the existing dispersal function. PMID:25898606

  5. Explicit Logic Circuits Predict Local Properties of the Neocortex's Physiology and Anatomy

    PubMed Central

    Yoder, Lane

    2010-01-01

    Background Two previous articles proposed an explicit model of how the brain processes information by its organization of synaptic connections. The family of logic circuits was shown to generate neural correlates of complex psychophysical phenomena in different sensory systems. Methodology/Principal Findings Here it is shown that the most cost-effective architectures for these networks produce correlates of electrophysiological brain phenomena and predict major aspects of the anatomical structure and physiological organization of the neocortex. The logic circuits are markedly efficient in several respects and provide the foundation for all of the brain's combinational processing of information. Conclusions/Significance At the local level, these networks account for much of the physical structure of the neocortex as well its organization of synaptic connections. Electronic implementations of the logic circuits may be more efficient than current electronic logic arrays in generating both Boolean and fuzzy logic. PMID:20169077

  6. Stress tensor correlators in three dimensional gravity

    NASA Astrophysics Data System (ADS)

    Bagchi, Arjun; Grumiller, Daniel; Merbis, Wout

    2016-03-01

    We calculate holographically arbitrary n -point correlators of the boundary stress tensor in three-dimensional Einstein gravity with negative or vanishing cosmological constant. We provide explicit expressions up to 5-point (connected) correlators and show consistency with the Galilean conformal field theory Ward identities and recursion relations of correlators, which we derive. This provides a novel check of flat space holography in three dimensions.

  7. Ultraviolet divergences in cosmological correlations

    SciTech Connect

    Weinberg, Steven

    2011-03-15

    A method is developed for dealing with ultraviolet divergences in calculations of cosmological correlations, which does not depend on dimensional regularization. An extended version of the WKB approximation is used to analyze the divergences in these calculations, and these divergences are controlled by the introduction of Pauli-Villars regulator fields. This approach is illustrated in the theory of a scalar field with arbitrary self-interactions in a fixed flat-space Robertson-Walker metric with arbitrary scale factor a(t). Explicit formulas are given for the counterterms needed to cancel all dependence on the regulator properties, and an explicit prescription is given for calculating finite regulator-independent correlation functions. The possibility of infrared divergences in this theory is briefly considered.

  8. Is insight a godsend? Explicit knowledge in the serial response-time task has precursors in EEG potentials already at task onset.

    PubMed

    Verleger, Rolf; Seitz, Annemarie; Yordanova, Juliana; Kolev, Vasil

    2015-11-01

    Whether, and how, explicit knowledge about some regularity arises from implicit sensorimotor learning by practice has been a matter of long-standing debate. Previously, we had found in the number reduction task that participants who will acquire explicit knowledge differ from other participants in their event-related potentials (ERPs) already at task onset. In the present study, we investigated such ERP precursors and correlates both of explicit and of sensorimotor knowledge (response speeding) about the regular sequence in a large sample of participants (n≈100) in the serial response time task. Already when perceiving random sequences at task onset, those participants had largest P3 amplitudes who would later gain explicit knowledge but whose responses were not speeded. Later in the task, sensorimotor knowledge was reflected in increased fronto-central negativity in irregular blocks, overlapping the early part of P3, and participants with later explicit knowledge generally had increased P3 amplitudes. These results support the notion that explicit knowledge about covert regularities is acquired in two ways: on the one hand by a particular subgroup of participants possibly independently of sequence-specific response speeding, and on the other hand by transforming such sensorimotor to explicit knowledge through practice.

  9. Discrepancies between implicit and explicit motivation and unhealthy eating behavior.

    PubMed

    Job, Veronika; Oertig, Daniela; Brandstätter, Veronika; Allemand, Mathias

    2010-08-01

    Many people change their eating behavior as a consequence of stress. One source of stress is intrapersonal psychological conflict as caused by discrepancies between implicit and explicit motives. In the present research, we examined whether eating behavior is related to this form of stress. Study 1 (N=53), a quasi-experimental study in the lab, showed that the interaction between the implicit achievement motive disposition and explicit commitment toward an achievement task significantly predicts the number of snacks consumed in a consecutive taste test. In cross-sectional Study 2 (N=100), with a sample of middle-aged women, overall motive discrepancy was significantly related to diverse indices of unsettled eating. Regression analyses revealed interaction effects specifically for power and achievement motivation and not for affiliation. Emotional distress further partially mediated the relationship between the overall motive discrepancy and eating behavior. PMID:20545817

  10. An explicit-solvent conformation search method using open software

    PubMed Central

    Gaalswyk, Kari

    2016-01-01

    Computer modeling is a popular tool to identify the most-probable conformers of a molecule. Although the solvent can have a large effect on the stability of a conformation, many popular conformational search methods are only capable of describing molecules in the gas phase or with an implicit solvent model. We have developed a work-flow for performing a conformation search on explicitly-solvated molecules using open source software. This method uses replica exchange molecular dynamics (REMD) to sample the conformational states of the molecule efficiently. Cluster analysis is used to identify the most probable conformations from the simulated trajectory. This work-flow was tested on drug molecules α-amanitin and cabergoline to illustrate its capabilities and effectiveness. The preferred conformations of these molecules in gas phase, implicit solvent, and explicit solvent are significantly different. PMID:27280078

  11. Approximate explicit analytic solution of the Elenbaas-Heller equation

    NASA Astrophysics Data System (ADS)

    Liao, Meng-Ran; Li, Hui; Xia, Wei-Dong

    2016-08-01

    The Elenbaas-Heller equation describing the temperature field of a cylindrically symmetrical non-radiative electric arc has been solved, and approximate explicit analytic solutions are obtained. The radial distributions of the heat-flux potential and the electrical conductivity have been figured out briefly by using some special simplification techniques. The relations between both the core heat-flux potential and the electric field with the total arc current have also been given in several easy explicit formulas. Besides, the special voltage-ampere characteristic of electric arcs is explained intuitionally by a simple expression involving the Lambert W-function. The analyses also provide a preliminary estimation of the Joule heating per unit length, which has been verified in previous investigations. Helium arc is used to examine the theories, and the results agree well with the numerical computations.

  12. Implicit versus explicit momentum relaxation time solution for semiconductor nanowires

    SciTech Connect

    Marin, E. G. Ruiz, F. G. Godoy, A. Tienda-Luna, I. M.; Gámiz, F.

    2015-07-14

    We discuss the necessity of the exact implicit Momentum Relaxation Time (MRT) solution of the Boltzmann transport equation in order to achieve reliable carrier mobility results in semiconductor nanowires. Firstly, the implicit solution for a 1D electron gas with a isotropic bandstructure is presented resulting in the formulation of a simple matrix system. Using this solution as a reference, the explicit approach is demonstrated to be inaccurate for the calculation of inelastic anisotropic mechanisms such as polar optical phonons, characteristic of III-V materials. Its validity for elastic and isotropic mechanisms is also evaluated. Finally, the implications of the MRT explicit approach inaccuracies on the total mobility of Si and III-V NWs are studied.

  13. The use of explicit building blocks in evolutionary computation

    NASA Astrophysics Data System (ADS)

    Sangkavichitr, Chalermsub; Chongstitvatana, Prabhas

    2016-02-01

    This paper proposes a new algorithm to identify and compose building blocks. Building blocks are interpreted as common subsequences between good individuals. The proposed algorithm can extract building blocks from a population explicitly. Explicit building blocks are identified from shared alleles among multiple chromosomes. These building blocks are stored in an archive. They are recombined to generate offspring. The additively decomposable problems and hierarchical decomposable problems are used to validate the algorithm. The results are compared with the Bayesian optimisation algorithm, the hierarchical Bayesian optimisation algorithm, and the chi-square matrix. This proposed algorithm is simple, effective, and fast. The experimental results confirm that building block identification is an important process that guides the recombination procedure to improve the solutions. In addition, the method efficiently solves hard problems.

  14. Parallel computation of meshless methods for explicit dynamic analysis.

    SciTech Connect

    Danielson, K. T.; Hao, S.; Liu, W. K.; Uras, R. A.; Li, S.; Reactor Engineering; Northwestern Univ.; Waterways Experiment Station

    2000-03-10

    A parallel computational implementation of modern meshless methods is presented for explicit dynamic analysis. The procedures are demonstrated by application of the Reproducing Kernel Particle Method (RKPM). Aspects of a coarse grain parallel paradigm are detailed for a Lagrangian formulation using model partitioning. Integration points are uniquely defined on separate processors and particle definitions are duplicated, as necessary, so that all support particles for each point are defined locally on the corresponding processor. Several partitioning schemes are considered and a reduced graph-based procedure is presented. Partitioning issues are discussed and procedures to accommodate essential boundary conditions in parallel are presented. Explicit MPI message passing statements are used for all communications among partitions on different processors. The effectiveness of the procedure is demonstrated by highly deformable inelastic example problems.

  15. On explicit algebraic stress models for complex turbulent flows

    NASA Technical Reports Server (NTRS)

    Gatski, T. B.; Speziale, C. G.

    1992-01-01

    Explicit algebraic stress models that are valid for three-dimensional turbulent flows in noninertial frames are systematically derived from a hierarchy of second-order closure models. This represents a generalization of the model derived by Pope who based his analysis on the Launder, Reece, and Rodi model restricted to two-dimensional turbulent flows in an inertial frame. The relationship between the new models and traditional algebraic stress models -- as well as anistropic eddy visosity models -- is theoretically established. The need for regularization is demonstrated in an effort to explain why traditional algebraic stress models have failed in complex flows. It is also shown that these explicit algebraic stress models can shed new light on what second-order closure models predict for the equilibrium states of homogeneous turbulent flows and can serve as a useful alternative in practical computations.

  16. Modeling the Explicit Chemistry of Anthropogenic and Biogenic Organic Aerosols

    SciTech Connect

    Madronich, Sasha

    2015-12-09

    The atmospheric burden of Secondary Organic Aerosols (SOA) remains one of the most important yet uncertain aspects of the radiative forcing of climate. This grant focused on improving our quantitative understanding of SOA formation and evolution, by developing, applying, and improving a highly detailed model of atmospheric organic chemistry, the Generation of Explicit Chemistry and Kinetics of Organics in the Atmosphere (GECKO-A) model. Eleven (11) publications have resulted from this grant.

  17. NFFLOW: A reservoir simulator incorporating explicit fractures (SPE 153890)

    SciTech Connect

    Boyle, E.J.; Sams, W.N.

    2012-01-01

    NFFLOW is a research code that quickly and inexpensively simulates flow in moderately fractured reservoirs. It explicitly recognizes fractures separately from rock matrix. In NFFLOW fracture flow is proportional to the pressure gradient along the fracture, and flow in the rock matrix is determined by Darcy’s Law. The two flow mechanisms are coupled through the pressure gradient between a fracture and its adjacent rock matrix. Presented is a promising change to NFFLOW that allows for flow across a rock matrix block.

  18. Explicit photochemical mechanism for atmospheric oxidation of n-butane

    SciTech Connect

    Wen, L.

    1992-01-01

    Alkanes, being an important component of atmosphere, serve as precursors to ozone formation in urban and rural air masses. An explicit photochemical oxidation mechanism for n-butane, which is the major hydrocarbon component of automobile exhaust, is created in this work. The yields of organic nitrates from n-butane, n-pentane, and methyl ethyl ketone photooxidations were studied in Teflon bag and smog chamber experiments. Comparing with the expression currently using the most atmospheric model studies, the total butyl nitrates yield obtained in this work is about 36% lower, and the ratio of primary to secondary butyl nitrates is slightly higher. It is shown in this work that the yields of hydroxyl and carbonyl butyl nitrates are very low, and can be ignored in the explicit photochemical mechanisms. The explicit photochemical oxidation mechanism for methyl ethyl ketone (MEK) was created first because it is the major product from photooxidation of n-butane. The explicit photochemical oxidation mechanism for n-butane, created later, draws on the MEK mechanism. The mechanisms were tested by comparing model predictions with experimental observations from smog chamber experiments. The comparisons were conducted for species which had experimental observation data, such as O[sub 3], NO, and NO[sub 2], n-butane, MEK, organic nitrates, and aldehydes species. The sixteen smog chamber experiments, used in model simulations, were conducted during 1978 to 1992. The mechanisms are mainly based on the available kinetic data in literature and the experimental result in this work. The rate constants for some reactions in the mechanisms were adjusted to make a better fit with the experimental observations. These reactions were: reaction of OH and n-butane to form secondary butyl peroxy radical, decomposition of secondary butoxy radical, and reaction of OH and MEK.

  19. Exact and explicit solitary wave solutions to some nonlinear equations

    SciTech Connect

    Jiefang Zhang

    1996-08-01

    Exact and explicit solitary wave solutions are obtained for some physically interesting nonlinear evolutions and wave equations in physics and other fields by using a special transformation. These equations include the KdV-Burgers equation, the MKdV-Burgers equation, the combined KdV-MKdV equation, the Newell-Whitehead equation, the dissipative {Phi}{sup 4}-model equation, the generalized Fisher equation, and the elastic-medium wave equation.

  20. Implicit and explicit attitude dissociation in spontaneous deceptive behavior.

    PubMed

    Jung, Kyu Hee; Lee, Jang-Han

    2009-09-01

    Society considers deception to be an improper act but at the same time, people deceive each other surprisingly often during interpersonal interactions. In our study, this hypocrisy was assumed to be derived from ambivalent attitudes stemming from different sources, which we divided into implicit and explicit. Using a simulated racing task in a virtual environment, we identified participants who chose to be deceptive. Twenty two of the 60 subjects spontaneously decided to cheat in order to gain monetary compensation, while the other 38 subjects chose to be honest. We compared these two groups' implicit beliefs about deception using the Implicit Association Test (Deception-IAT), as well as their explicit attitudes about deception and their personalities using self-report questionnaires. There was no difference between the two groups in explicit attitude or personality; however, the group who cheated on the racing task showed their implicit preference for deception more than that of the group who acted honestly as measured by the Deception-IAT.

  1. Wakimoto realizations of current algebras: an explicit construction

    SciTech Connect

    de Boer, Jan; Feher, Laszlo

    1996-11-12

    A generalized Wakimoto realization of $\\widehat\\cal G_K$ can be associated with each parabolic subalgebra $\\cal P=(\\cal G_0 +\\cal G_+)$ of a simple Lie algebra $\\cal G$ according to an earlier proposal by Feigin and Frenkel. In this paper the proposal is made explicit by developing the construction of Wakimoto realizations from a simple but unconventional viewpoint. An explicit formula is derived for the Wakimoto current first at the Poisson bracket level by Hamiltonian symmetry reduction of the WZNW model. The quantization is then performed by normal ordering the classical formula and determining the required quantum correction for it to generate $\\widehat\\cal G_K$ by means of commutators. The affine-Sugawara stress-energy tensor is verified to have the expected quadratic form in the constituents, which are symplectic bosons belonging to $\\cal G_+$ and a current belonging to $\\cal G_0$. The quantization requires a choice of special polynomial coordinates on the big cell of the flag manifold $P\\backslash G$. The effect of this choice is investigated in detail by constructing quantum coordinate transformations. Finally, the explicit form of the screening charges for each generalized Wakimoto realization is determined, and some applications are briefly discussed.

  2. Explicit versus implicit social cognition testing in autism spectrum disorder

    PubMed Central

    Callenmark, Björn; Kjellin, Lars; Rönnqvist, Louise

    2014-01-01

    Although autism spectrum disorder is defined by reciprocal social-communication impairments, several studies have found no evidence for altered social cognition test performance. This study examined explicit (i.e. prompted) and implicit (i.e. spontaneous) variants of social cognition testing in autism spectrum disorder. A sample of 19 adolescents with autism spectrum disorder and 19 carefully matched typically developing controls completed the Dewey Story Test. ‘Explicit’ (multiple-choice answering format) and ‘implicit’ (free interview) measures of social cognition were obtained. Autism spectrum disorder participants did not differ from controls regarding explicit social cognition performance. However, the autism spectrum disorder group performed more poorly than controls on implicit social cognition performance in terms of spontaneous perspective taking and social awareness. Findings suggest that social cognition alterations in autism spectrum disorder are primarily implicit in nature and that an apparent absence of social cognition difficulties on certain tests using rather explicit testing formats does not necessarily mean social cognition typicality in autism spectrum disorder. PMID:24104519

  3. Implicit versus explicit associative learning and experimentally induced placebo hypoalgesia

    PubMed Central

    Martin-Pichora, Andrea L; Mankovsky-Arnold, Tsipora D.; Katz, Joel

    2011-01-01

    The present study examined whether 1) placebo hypoalgesia can be generated through implicit associative learning (ie, conditioning in the absence of conscious awareness) and 2) the magnitude of placebo hypoalgesia changes when expectations about pain are made explicit. The temperature of heat pain stimuli was surreptitiously lowered during conditioning trials for the placebo cream and the magnitude of the placebo effect was assessed during a subsequent set of trials when the temperature was the same for both placebo and control conditions. To assess whether placebo hypoalgesia could be generated from an implicit tactile stimulus, a 2 × 2 design was used with direction of cream application as one factor and verbal information about which cream was being applied as the second factor. A significant placebo effect was observed when participants received verbal information about which cream was being applied but not following implicit conditioning alone. However, 87.5% of those who showed a placebo response as the result of implicit conditioning were able to accurately guess the order of cream application during the final trial, despite a lack of awareness about the sensory manipulation and low confidence in their ratings, suggesting implicit learning in some participants. In summary, implicit associative learning was evident in some participants but it was not sufficient to produce a placebo effect suggesting some level of explicit expectation or cognitive mediation may be necessary. Notably, the placebo response was abolished when expectations were made explicit, suggesting a delicate interplay between attention and expectation. PMID:21559352

  4. Depth migration in transversely isotropic media with explicit operators

    SciTech Connect

    Uzcategui, O.

    1994-12-01

    The author presents and analyzes three approaches to calculating explicit two-dimensional (2D) depth-extrapolation filters for all propagation modes (P, SV, and SH) in transversely isotropic media with vertical and tilted axis of symmetry. These extrapolation filters are used to do 2D poststack depth migration, and also, just as for isotropic media, these 2D filters are used in the McClellan transformation to do poststack 3D depth migration. Furthermore, the same explicit filters can also be used to do depth-extrapolation of prestack data. The explicit filters are derived by generalizations of three different approaches: the modified Taylor series, least-squares, and minimax methods initially developed for isotropic media. The examples here show that the least-squares and minimax methods produce filters with accurate extrapolation (measured in the ability to position steep reflectors) for a wider range of propagation angles than that obtained using the modified Taylor series method. However, for low propagation angles, the modified Taylor series method has smaller amplitude and phase errors than those produced by the least-squares and minimax methods. These results suggest that to get accurate amplitude estimation, modified Taylor series filters would be somewhat preferred in areas with low dips. In areas with larger dips, the least-squares and minimax methods would give a distinctly better delineation of the subsurface structures.

  5. Convergence studies of deterministic methods for LWR explicit reflector methodology

    SciTech Connect

    Canepa, S.; Hursin, M.; Ferroukhi, H.; Pautz, A.

    2013-07-01

    The standard approach in modem 3-D core simulators, employed either for steady-state or transient simulations, is to use Albedo coefficients or explicit reflectors at the core axial and radial boundaries. In the latter approach, few-group homogenized nuclear data are a priori produced with lattice transport codes using 2-D reflector models. Recently, the explicit reflector methodology of the deterministic CASMO-4/SIMULATE-3 code system was identified to potentially constitute one of the main sources of errors for core analyses of the Swiss operating LWRs, which are all belonging to GII design. Considering that some of the new GIII designs will rely on very different reflector concepts, a review and assessment of the reflector methodology for various LWR designs appeared as relevant. Therefore, the purpose of this paper is to first recall the concepts of the explicit reflector modelling approach as employed by CASMO/SIMULATE. Then, for selected reflector configurations representative of both GII and GUI designs, a benchmarking of the few-group nuclear data produced with the deterministic lattice code CASMO-4 and its successor CASMO-5, is conducted. On this basis, a convergence study with regards to geometrical requirements when using deterministic methods with 2-D homogenous models is conducted and the effect on the downstream 3-D core analysis accuracy is evaluated for a typical GII deflector design in order to assess the results against available plant measurements. (authors)

  6. Explicit Integration of Extremely Stiff Reaction Networks: Partial Equilibrium Methods

    SciTech Connect

    Guidry, Mike W; Billings, J. J.; Hix, William Raphael

    2013-01-01

    In two preceding papers [1,2] we have shown that, when reaction networks are well removed from equilibrium, explicit asymptotic and quasi-steady-state approximations can give algebraically stabilized integration schemes that rival standard implicit methods in accuracy and speed for extremely stiff systems. However, we also showed that these explicit methods remain accurate but are no longer competitive in speed as the network approaches equilibrium. In this paper we analyze this failure and show that it is associated with the presence of fast equilibration timescales that neither asymptotic nor quasi-steady-state approximations are able to remove efficiently from the numerical integration. Based on this understanding, we develop a partial equilibrium method to deal effectively with the new partial equilibrium methods, give an integration scheme that plausibly can deal with the stiffest networks, even in the approach to equilibrium, with accuracy and speed competitive with that of implicit methods. Thus we demonstrate that algebraically stabilized explicit methods may offer alternatives to implicit integration of even extremely stiff systems, and that these methods may permit integration of much larger networks than have been feasible previously in a variety of fields.

  7. Explicit mentalizing mechanisms and their adaptive role in memory conformity.

    PubMed

    Wheeler, Rebecca; Allan, Kevin; Tsivilis, Dimitris; Martin, Douglas; Gabbert, Fiona

    2013-01-01

    Memory conformity occurs when an individual endorses what other individuals remember about past events. Research on memory conformity is currently dominated by a 'forensic' perspective, which views the phenomenon as inherently undesirable. This is because conformity not only distorts the accuracy of an individual's memory, but also produces false corroboration between individuals, effects that act to undermine criminal justice systems. There is growing awareness, however, that memory conformity may be interpreted more generally as an adaptive social behavior regulated by explicit mentalizing mechanisms. Here, we provide novel evidence in support of this emerging alternative theoretical perspective. We carried out a memory conformity experiment which revealed that explicit belief-simulation (i.e. using one's own beliefs to model what other people believe) systematically biases conformity towards like-minded individuals, even when there is no objective evidence that they have a more accurate memory than dissimilar individuals. We suggest that this bias is functional, i.e. adaptive, to the extent that it fosters trust, and hence cooperation, between in-group versus out-group individuals. We conclude that memory conformity is, in more fundamental terms, a highly desirable product of explicit mentalizing mechanisms that promote adaptive forms of social learning and cooperation.

  8. Spatially explicit maximum likelihood methods for capture-recapture studies.

    PubMed

    Borchers, D L; Efford, M G

    2008-06-01

    Live-trapping capture-recapture studies of animal populations with fixed trap locations inevitably have a spatial component: animals close to traps are more likely to be caught than those far away. This is not addressed in conventional closed-population estimates of abundance and without the spatial component, rigorous estimates of density cannot be obtained. We propose new, flexible capture-recapture models that use the capture locations to estimate animal locations and spatially referenced capture probability. The models are likelihood-based and hence allow use of Akaike's information criterion or other likelihood-based methods of model selection. Density is an explicit parameter, and the evaluation of its dependence on spatial or temporal covariates is therefore straightforward. Additional (nonspatial) variation in capture probability may be modeled as in conventional capture-recapture. The method is tested by simulation, using a model in which capture probability depends only on location relative to traps. Point estimators are found to be unbiased and standard error estimators almost unbiased. The method is used to estimate the density of Red-eyed Vireos (Vireo olivaceus) from mist-netting data from the Patuxent Research Refuge, Maryland, U.S.A. Estimates agree well with those from an existing spatially explicit method based on inverse prediction. A variety of additional spatially explicit models are fitted; these include models with temporal stratification, behavioral response, and heterogeneous animal home ranges. PMID:17970815

  9. Multiple Sclerosis Decreases Explicit Counterfactual Processing and Risk Taking in Decision Making

    PubMed Central

    Simioni, Samanta; Schluep, Myriam; Bault, Nadège; Coricelli, Giorgio; Kleeberg, Joerg; Du Pasquier, Renaud A.; Gschwind, Markus; Vuilleumier, Patrik; Annoni, Jean-Marie

    2012-01-01

    Introduction Deficits in decision making (DM) are commonly associated with prefrontal cortical damage, but may occur with multiple sclerosis (MS). There are no data concerning the impact of MS on tasks evaluating DM under explicit risk, where different emotional and cognitive components can be distinguished. Methods We assessed 72 relapsing-remitting MS (RRMS) patients with mild to moderate disease and 38 healthy controls in two DM tasks involving risk with explicit rules: (1) The Wheel of Fortune (WOF), which probes the anticipated affects of decisions outcomes on future choices; and (2) The Cambridge Gamble Task (CGT) which measures risk taking. Participants also underwent a neuropsychological and emotional assessment, and skin conductance responses (SCRs) were recorded. Results In the WOF, RRMS patients showed deficits in integrating positive counterfactual information (p<0.005) and greater risk aversion (p<0.001). They reported less negative affect than controls (disappointment: p = 0.007; regret: p = 0.01), although their implicit emotional reactions as measured by post-choice SCRs did not differ. In the CGT, RRMS patients differed from controls in quality of DM (p = 0.01) and deliberation time (p = 0.0002), the latter difference being correlated with attention scores. Such changes did not result in overall decreases in performance (total gains). Conclusions The quality of DM under risk was modified by MS in both tasks. The reduction in the expression of disappointment coexisted with an increased risk aversion in the WOF and alexithymia features. These concomitant emotional alterations may have implications for better understanding the components of explicit DM and for the clinical support of MS patients. PMID:23227201

  10. Sleep benefits in parallel implicit and explicit measures of episodic memory.

    PubMed

    Weber, Frederik D; Wang, Jing-Yi; Born, Jan; Inostroza, Marion

    2014-04-01

    Research in rats using preferences during exploration as a measure of memory has indicated that sleep is important for the consolidation of episodic-like memory, i.e., memory for an event bound into specific spatio-temporal context. How these findings relate to human episodic memory is unclear. We used spontaneous preferences during visual exploration and verbal recall as, respectively, implicit and explicit measures of memory, to study effects of sleep on episodic memory consolidation in humans. During encoding before 10-h retention intervals that covered nighttime sleep or daytime wakefulness, two groups of young adults were presented with two episodes that were 1-h apart. Each episode entailed a spatial configuration of four different faces in a 3 × 3 grid of locations. After the retention interval, implicit spatio-temporal recall performance was assessed by eye-tracking visual exploration of another configuration of four faces of which two were from the first and second episode, respectively; of the two faces one was presented at the same location as during encoding and the other at another location. Afterward explicit verbal recall was assessed. Measures of implicit and explicit episodic memory retention were positively correlated (r = 0.57, P < 0.01), and were both better after nighttime sleep than daytime wakefulness (P < 0.05). In the sleep group, implicit episodic memory recall was associated with increased fast spindles during nonrapid eye movement (NonREM) sleep (r = 0.62, P < 0.05). Together with concordant observations in rats our results indicate that consolidation of genuinely episodic memory benefits from sleep. PMID:24634354

  11. Implicit and explicit preferences for physical attractiveness in a romantic partner: a double dissociation in predictive validity.

    PubMed

    Eastwick, Paul W; Eagly, Alice H; Finkel, Eli J; Johnson, Sarah E

    2011-11-01

    Five studies develop and examine the predictive validity of an implicit measure of the preference for physical attractiveness in a romantic partner. Three hypotheses were generally supported. First, 2 variants of the go/no-go association task revealed that participants, on average, demonstrate an implicit preference (i.e., a positive spontaneous affective reaction) for physical attractiveness in a romantic partner. Second, these implicit measures were not redundant with a traditional explicit measure: The correlation between these constructs was .00 on average, and the implicit measures revealed no reliable sex differences, unlike the explicit measure. Third, explicit and implicit measures exhibited a double dissociation in predictive validity. Specifically, explicit preferences predicted the extent to which attractiveness was associated with participants' romantic interest in opposite-sex photographs but not their romantic interest in real-life opposite-sex speed-daters or confederates. Implicit preferences showed the opposite pattern. This research extends prior work on implicit processes in romantic relationships and offers the first demonstration that any measure of a preference for a particular characteristic in a romantic partner (an implicit measure of physical attractiveness, in this case) predicts individuals' evaluation of live potential romantic partners.

  12. A multitrait-multimethod validation of the Implicit Association Test: implicit and explicit attitudes are related but distinct constructs.

    PubMed

    Nosek, Brian A; Smyth, Frederick L

    2007-01-01

    Recent theoretical and methodological innovations suggest a distinction between implicit and explicit evaluations. We applied Campbell and Fiske's (1959) classic multitrait-multimethod design precepts to test the construct validity of implicit attitudes as measured by the Implicit Association Test (IAT). Participants (N = 287) were measured on both self-report and IAT for up to seven attitude domains. Through a sequence of latent-variable structural models, systematic method variance was distinguished from attitude variance, and a correlated two-factors-per-attitude model (implicit and explicit factors) was superior to a single-factor-per-attitude specification. That is, despite sometimes strong relations between implicit and explicit attitude factors, collapsing their indicators into a single attitude factor resulted in relatively inferior model fit. We conclude that these implicit and explicit measures assess related but distinct attitude constructs. This provides a basis for, but does not distinguish between, dual-process and dual-representation theories that account for the distinctions between constructs.

  13. Implicit and explicit preferences for physical attractiveness in a romantic partner: a double dissociation in predictive validity.

    PubMed

    Eastwick, Paul W; Eagly, Alice H; Finkel, Eli J; Johnson, Sarah E

    2011-11-01

    Five studies develop and examine the predictive validity of an implicit measure of the preference for physical attractiveness in a romantic partner. Three hypotheses were generally supported. First, 2 variants of the go/no-go association task revealed that participants, on average, demonstrate an implicit preference (i.e., a positive spontaneous affective reaction) for physical attractiveness in a romantic partner. Second, these implicit measures were not redundant with a traditional explicit measure: The correlation between these constructs was .00 on average, and the implicit measures revealed no reliable sex differences, unlike the explicit measure. Third, explicit and implicit measures exhibited a double dissociation in predictive validity. Specifically, explicit preferences predicted the extent to which attractiveness was associated with participants' romantic interest in opposite-sex photographs but not their romantic interest in real-life opposite-sex speed-daters or confederates. Implicit preferences showed the opposite pattern. This research extends prior work on implicit processes in romantic relationships and offers the first demonstration that any measure of a preference for a particular characteristic in a romantic partner (an implicit measure of physical attractiveness, in this case) predicts individuals' evaluation of live potential romantic partners. PMID:21767032

  14. Reconstruction of explicit structural properties at the nanoscale via spectroscopic microscopy.

    PubMed

    Cherkezyan, Lusik; Zhang, Di; Subramanian, Hariharan; Taflove, Allen; Backman, Vadim

    2016-02-01

    The spectrum registered by a reflected-light bright-field spectroscopic microscope (SM) can quantify the microscopically indiscernible, deeply subdiffractional length scales within samples such as biological cells and tissues. Nevertheless, quantification of biological specimens via any optical measures most often reveals ambiguous information about the specific structural properties within the studied samples. Thus, optical quantification remains nonintuitive to users from the diverse fields of technique application. In this work, we demonstrate that the SM signal can be analyzed to reconstruct explicit physical measures of internal structure within label-free, weakly scattering samples: characteristic length scale and the amplitude of spatial refractive-index (RI) fluctuations. We present and validate the reconstruction algorithm via finite-difference time-domain solutions of Maxwell's equations on an example of exponential spatial correlation of RI. We apply the validated algorithm to experimentally measure structural properties within isolated cells from two genetic variants of HT29 colon cancer cell line as well as within a prostate tissue biopsy section. The presented methodology can lead to the development of novel biophotonics techniques that create two-dimensional maps of explicit structural properties within biomaterials: the characteristic size of macromolecular complexes and the variance of local mass density. PMID:26886803

  15. Continuity from an implicit to an explicit understanding of false belief from infancy to preschool age.

    PubMed

    Thoermer, Claudia; Sodian, Beate; Vuori, Maria; Perst, Hannah; Kristen, Susanne

    2012-03-01

    An implicit understanding of false belief indicated by anticipatory looking has been shown to be significantly correlated with performance on explicit false-belief tasks in 3- and 4-year-old children (Low, 2010). Recent evidence from infant research indicates, however, that implicit false-belief understanding guides infants' expectations about goal-directed actions even in the second year of life. The present study presents data from a sample of N= 70 infants who were tested longitudinally at 15, 18, 30, 36 and 48 months with implicit and explicit Theory of Mind measures, as well as an assessment of verbal IQ. Belief-based anticipatory looking in the false-belief task at 18 months significantly predicted verbal false-belief reasoning at 48 months, after controlling for verbal IQ. These findings indicate developmental continuity and conceptual specificity in belief reasoning from infancy to preschool age. They are discussed with respect to competing accounts of infants' understanding of the mind. PMID:22429040

  16. Reconstruction of explicit structural properties at the nanoscale via spectroscopic microscopy

    NASA Astrophysics Data System (ADS)

    Cherkezyan, Lusik; Zhang, Di; Subramanian, Hariharan; Taflove, Allen; Backman, Vadim

    2016-02-01

    The spectrum registered by a reflected-light bright-field spectroscopic microscope (SM) can quantify the microscopically indiscernible, deeply subdiffractional length scales within samples such as biological cells and tissues. Nevertheless, quantification of biological specimens via any optical measures most often reveals ambiguous information about the specific structural properties within the studied samples. Thus, optical quantification remains nonintuitive to users from the diverse fields of technique application. In this work, we demonstrate that the SM signal can be analyzed to reconstruct explicit physical measures of internal structure within label-free, weakly scattering samples: characteristic length scale and the amplitude of spatial refractive-index (RI) fluctuations. We present and validate the reconstruction algorithm via finite-difference time-domain solutions of Maxwell's equations on an example of exponential spatial correlation of RI. We apply the validated algorithm to experimentally measure structural properties within isolated cells from two genetic variants of HT29 colon cancer cell line as well as within a prostate tissue biopsy section. The presented methodology can lead to the development of novel biophotonics techniques that create two-dimensional maps of explicit structural properties within biomaterials: the characteristic size of macromolecular complexes and the variance of local mass density.

  17. Evolution of costly explicit memory and cumulative culture.

    PubMed

    Nakamaru, Mayuko

    2016-06-21

    Humans can acquire new information and modify it (cumulative culture) based on their learning and memory abilities, especially explicit memory, through the processes of encoding, consolidation, storage, and retrieval. Explicit memory is categorized into semantic and episodic memories. Animals have semantic memory, while episodic memory is unique to humans and essential for innovation and the evolution of culture. As both episodic and semantic memory are needed for innovation, the evolution of explicit memory influences the evolution of culture. However, previous theoretical studies have shown that environmental fluctuations influence the evolution of imitation (social learning) and innovation (individual learning) and assume that memory is not an evolutionary trait. If individuals can store and retrieve acquired information properly, they can modify it and innovate new information. Therefore, being able to store and retrieve information is essential from the perspective of cultural evolution. However, if both storage and retrieval were too costly, forgetting and relearning would have an advantage over storing and retrieving acquired information. In this study, using mathematical analysis and individual-based simulations, we investigate whether cumulative culture can promote the coevolution of costly memory and social and individual learning, assuming that cumulative culture improves the fitness of each individual. The conclusions are: (1) without cumulative culture, a social learning cost is essential for the evolution of storage-retrieval. Costly storage-retrieval can evolve with individual learning but costly social learning does not evolve. When low-cost social learning evolves, the repetition of forgetting and learning is favored more than the evolution of costly storage-retrieval, even though a cultural trait improves the fitness. (2) When cumulative culture exists and improves fitness, storage-retrieval can evolve with social and/or individual learning, which

  18. Integrating remote sensing and spatially explicit epidemiological modeling

    NASA Astrophysics Data System (ADS)

    Finger, Flavio; Knox, Allyn; Bertuzzo, Enrico; Mari, Lorenzo; Bompangue, Didier; Gatto, Marino; Rinaldo, Andrea

    2015-04-01

    Spatially explicit epidemiological models are a crucial tool for the prediction of epidemiological patterns in time and space as well as for the allocation of health care resources. In addition they can provide valuable information about epidemiological processes and allow for the identification of environmental drivers of the disease spread. Most epidemiological models rely on environmental data as inputs. They can either be measured in the field by the means of conventional instruments or using remote sensing techniques to measure suitable proxies of the variables of interest. The later benefit from several advantages over conventional methods, including data availability, which can be an issue especially in developing, and spatial as well as temporal resolution of the data, which is particularly crucial for spatially explicit models. Here we present the case study of a spatially explicit, semi-mechanistic model applied to recurring cholera outbreaks in the Lake Kivu area (Democratic Republic of the Congo). The model describes the cholera incidence in eight health zones on the shore of the lake. Remotely sensed datasets of chlorophyll a concentration in the lake, precipitation and indices of global climate anomalies are used as environmental drivers. Human mobility and its effect on the disease spread is also taken into account. Several model configurations are tested on a data set of reported cases. The best models, accounting for different environmental drivers, and selected using the Akaike information criterion, are formally compared via cross validation. The best performing model accounts for seasonality, El Niño Southern Oscillation, precipitation and human mobility.

  19. Attention to Explicit and Implicit Contrast in Verb Learning

    PubMed Central

    Childers, Jane B.; Hirshkowitz, Amy; Benavides, Kristin

    2013-01-01

    Contrast information could be useful for verb learning, but few studies have examined children’s ability to use this type of information. Contrast may be useful when children are told explicitly that different verbs apply, or when they hear two different verbs in a single context. Three studies examine children’s attention to different types of contrast as they learn new verbs. Study 1 shows that 3 ½-year-olds can use both implicit contrast (“I’m meeking it. I’m koobing it.”) and explicit contrast (“I’m meeking it. I’m not meeking it.”) when learning a new verb, while a control group’s responses did not differ from chance. Study 2 shows that even though children at this age who hear explicit contrast statements differ from a control group, they do not reliably extend a newly learned verb to events with new objects. In Study 3, children in three age groups were given both comparison and contrast information, not in blocks of trials as in past studies, but in a procedure that interleaved both cues. Results show that while 2 ½-year-olds were unable to use these cues when asked to compare and contrast, by 3 ½, children are beginning to be able to process these cues and use them to influence their verb extensions, and by 4 ½ years, children are proficient at integrating multiple cues when learning and extending new verbs. Together these studies examine children’s use of contrast in verb learning, a potentially important source of information that has been rarely studied. PMID:24982599

  20. Evolution of costly explicit memory and cumulative culture.

    PubMed

    Nakamaru, Mayuko

    2016-06-21

    Humans can acquire new information and modify it (cumulative culture) based on their learning and memory abilities, especially explicit memory, through the processes of encoding, consolidation, storage, and retrieval. Explicit memory is categorized into semantic and episodic memories. Animals have semantic memory, while episodic memory is unique to humans and essential for innovation and the evolution of culture. As both episodic and semantic memory are needed for innovation, the evolution of explicit memory influences the evolution of culture. However, previous theoretical studies have shown that environmental fluctuations influence the evolution of imitation (social learning) and innovation (individual learning) and assume that memory is not an evolutionary trait. If individuals can store and retrieve acquired information properly, they can modify it and innovate new information. Therefore, being able to store and retrieve information is essential from the perspective of cultural evolution. However, if both storage and retrieval were too costly, forgetting and relearning would have an advantage over storing and retrieving acquired information. In this study, using mathematical analysis and individual-based simulations, we investigate whether cumulative culture can promote the coevolution of costly memory and social and individual learning, assuming that cumulative culture improves the fitness of each individual. The conclusions are: (1) without cumulative culture, a social learning cost is essential for the evolution of storage-retrieval. Costly storage-retrieval can evolve with individual learning but costly social learning does not evolve. When low-cost social learning evolves, the repetition of forgetting and learning is favored more than the evolution of costly storage-retrieval, even though a cultural trait improves the fitness. (2) When cumulative culture exists and improves fitness, storage-retrieval can evolve with social and/or individual learning, which

  1. Parameter and uncertainty estimation for mechanistic, spatially explicit epidemiological models

    NASA Astrophysics Data System (ADS)

    Finger, Flavio; Schaefli, Bettina; Bertuzzo, Enrico; Mari, Lorenzo; Rinaldo, Andrea

    2014-05-01

    Epidemiological models can be a crucially important tool for decision-making during disease outbreaks. The range of possible applications spans from real-time forecasting and allocation of health-care resources to testing alternative intervention mechanisms such as vaccines, antibiotics or the improvement of sanitary conditions. Our spatially explicit, mechanistic models for cholera epidemics have been successfully applied to several epidemics including, the one that struck Haiti in late 2010 and is still ongoing. Calibration and parameter estimation of such models represents a major challenge because of properties unusual in traditional geoscientific domains such as hydrology. Firstly, the epidemiological data available might be subject to high uncertainties due to error-prone diagnosis as well as manual (and possibly incomplete) data collection. Secondly, long-term time-series of epidemiological data are often unavailable. Finally, the spatially explicit character of the models requires the comparison of several time-series of model outputs with their real-world counterparts, which calls for an appropriate weighting scheme. It follows that the usual assumption of a homoscedastic Gaussian error distribution, used in combination with classical calibration techniques based on Markov chain Monte Carlo algorithms, is likely to be violated, whereas the construction of an appropriate formal likelihood function seems close to impossible. Alternative calibration methods, which allow for accurate estimation of total model uncertainty, particularly regarding the envisaged use of the models for decision-making, are thus needed. Here we present the most recent developments regarding methods for parameter and uncertainty estimation to be used with our mechanistic, spatially explicit models for cholera epidemics, based on informal measures of goodness of fit.

  2. Implicit-explicit evolution of single black holes

    SciTech Connect

    Lau, Stephen R.; Lovelace, Geoffrey; Pfeiffer, Harald P.

    2011-10-15

    Numerical simulations of binary black holes - an important predictive tool for the detection of gravitational waves - are computationally expensive, especially for binaries with high mass ratios or with rapidly spinning constituent holes. Existing codes for evolving binary black holes rely on explicit time-stepping methods, for which the time-step size is limited by the smallest spatial scale through the Courant-Friedrichs-Lewy condition. Binary inspiral typically involves spatial scales (the spatial resolution required by a small or rapidly spinning hole) which are orders of magnitude smaller than the relevant (orbital, precession, and radiation-reaction) time scales characterizing the inspiral. Therefore, in explicit evolutions of binary black holes, the time-step size is typically orders of magnitude smaller than the relevant physical time scales. Implicit time-stepping methods allow for larger time steps, and they often reduce the total computational cost (without significant loss of accuracy) for problems dominated by spatial rather than temporal error, such as for binary-black-hole inspiral in corotating coordinates. However, fully implicit methods can be difficult to implement for nonlinear evolution systems like the Einstein equations. Therefore, in this paper we explore implicit-explicit (IMEX) methods and use them for the first time to evolve black-hole spacetimes. Specifically, as a first step toward IMEX evolution of a full binary-black-hole spacetime, we develop an IMEX algorithm for the generalized harmonic formulation of the Einstein equations and use this algorithm to evolve stationary and perturbed single-black-hole spacetimes. Numerical experiments explore the stability and computational efficiency of our method.

  3. An Explicit Reentry Guidance Law Using Bezier Curves

    NASA Astrophysics Data System (ADS)

    Esmaelzadeh, Reza; Naghash, Abolghasem; Mortazavi, Mehdi

    An explicit guidance law is developed for a reentry vehicle. Motion is constrained to a three-dimensional Bezier curve. Acceleration commands are derived by solving an inverse problem related to Bezier parameters. A comparison with pure proportional navigation shows the same accuracy, but a higher capability for optimal trajectory to some degree. Other advantages such as trajectory representation with minimum parameters, applicability to any reentry vehicle configuration and any control scheme, and Time-to-Go independency make this guidance approach more favorable.

  4. Concurrent and vectorized mixed time, explicit nonlinear structural dynamics algorithms

    NASA Technical Reports Server (NTRS)

    Belytschko, Ted; Gilbertsen, Noreen

    1987-01-01

    A nonlinear structural dynamics program with an element library that exploits parallel processing is described. The aim is to exploit scheduling-allocation so that parallel processing and vectorization can effectively be treated in a general purpose program with explicit time integration and different time steps in different parts of the mesh. The program uses an element group scheme, which, as a by-product, also provides an automatic scheme for assigning different time steps to different parts of the mesh. The program has been tested on the Alliant FX/8; it shows a fivefold improvement in speed over compiler optimization.

  5. The Implicit and Explicit alpha-mu Schemes

    NASA Technical Reports Server (NTRS)

    Chang, Sin-Chung; Himansu, Ananda

    1997-01-01

    Artificial numerical dissipation is an important issue in large Reynolds number computations. In such computations, the artificial dissipation inherent in traditional numerical schemes can overwhelm the physical dissipation and yield inaccurate results on meshes of practical size. In the present work, the space-time conservation element and solution element method is used to construct new and accurate numerical schemes such that artificial numerical dissipation will not overwhelm physical dissipation. Specifically, these schemes have the property that numerical dissipation vanishes when the physical viscosity goes to zero. These new schemes therefore accurately model the physical dissipation even when it is extremely small. The method of space-time conservation element and solution element, currently under development, is a nontraditional numerical method for solving conservation laws. The method is developed on the basis of local and global flux conservation in a space-time domain, in which space and time are treated in a unified manner. Explicit solvers for model and fluid dynamic conservation laws have previously been investigated. In this paper, we introduce a new concept in the design of implicit schemes, and use it to construct two highly accurate solvers for a convection-diffusion equation. The two schemes become identical in the pure convection case, and in the pure diffusion case. The implicit schemes are applicable over the whole Reynolds number range, from purely diffusive equations to purely inviscid (convective) equations. The stability and consistency of the schemes are analyzed, and some numerical results are presented. It is shown that, in the inviscid case, the new schemes become explicit and their amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, their principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme. We also construct an explicit solver

  6. Explicit solutions of one-dimensional total variation problem

    NASA Astrophysics Data System (ADS)

    Makovetskii, Artyom; Voronin, Sergei; Kober, Vitaly

    2015-09-01

    This work deals with denosing of a one-dimensional signal corrupted by additive white Gaussian noise. A common way to solve the problem is to utilize the total variation (TV) method. Basically, the TV regularization minimizes a functional consisting of the sum of fidelity and regularization terms. We derive explicit solutions of the one-dimensional TV regularization problem that help us to restore noisy signals with a direct, non-iterative algorithm. Computer simulation results are provided to illustrate the performance of the proposed algorithm for restoration of noisy signals.

  7. Explicit CP violation in the MSSM Higgs sector

    SciTech Connect

    Hesselbach, S.; Moretti, S.; Munir, S.; Poulose, P.

    2010-02-10

    We analysed the sensitivity of the process gg->H{sub 1}->gammagamma to the explicitly CP-violating phases phi{sub m}u and phi{sub A{sub f}} in the Minimal Supersymmetric Standard Model (MSSM) at the Large Hadron Collider (LHC), where H{sub 1} is the lightest Supersymmetric Higgs boson. We conclude that depending on these phases, the overall production and decay rates of H{sub 1} can vary up to orders of magnitude compared to the CP-conserving case.

  8. Improving Explicit Congestion Notification with the Mark-Front Strategy

    NASA Technical Reports Server (NTRS)

    Liu, Chunlei; Jain, Raj

    2001-01-01

    Delivering congestion signals is essential to the performance of networks. Current TCP/IP networks use packet losses to signal congestion. Packet losses not only reduces TCP performance, but also adds large delay. Explicit Congestion Notification (ECN) delivers a faster indication of congestion and has better performance. However, current ECN implementations mark the packet from the tail of the queue. In this paper, we propose the mark-front strategy to send an even faster congestion signal. We show that mark-front strategy reduces buffer size requirement, improves link efficiency and provides better fairness among users. Simulation results that verify our analysis are also presented.

  9. Explicit Pore Pressure Material Model in Carbon-Cloth Phenolic

    NASA Technical Reports Server (NTRS)

    Gutierrez-Lemini, Danton; Ehle, Curt

    2003-01-01

    An explicit material model that uses predicted pressure in the pores of a carbon-cloth phenolic (CCP) composite has been developed. This model is intended to be used within a finite-element model to predict phenomena specific to CCP components of solid-fuel-rocket nozzles subjected to high operating temperatures and to mechanical stresses that can be great enough to cause structural failures. Phenomena that can be predicted with the help of this model include failures of specimens in restrained-thermal-growth (RTG) tests, pocketing erosion, and ply lifting

  10. Explicit mapping of acoustic regimes for wind instruments

    NASA Astrophysics Data System (ADS)

    Missoum, Samy; Vergez, Christophe; Doc, Jean-Baptiste

    2014-09-01

    This paper proposes a methodology to map the various acoustic regimes of wind instruments. The maps can be generated in a multidimensional space consisting of design, control parameters, and initial conditions. The boundaries of the maps are obtained explicitly in terms of the parameters using a Support Vector Machine (SVM) classifier as well as a dedicated adaptive sampling scheme. The approach is demonstrated on a simplified clarinet model for which several maps are generated based on different criteria. Examples of computation of the probability of occurrence of a specific acoustic regime are also provided. In addition, the approach is demonstrated on a design optimization example for optimal intonation.

  11. Assessment of an Explicit Algebraic Reynolds Stress Model

    NASA Technical Reports Server (NTRS)

    Carlson, Jan-Renee

    2005-01-01

    This study assesses an explicit algebraic Reynolds stress turbulence model in the in the three-dimensional Reynolds averaged Navier-Stokes (RANS) solver, ISAAC (Integrated Solution Algorithm for Arbitrary Con gurations). Additionally, it compares solutions for two select configurations between ISAAC and the RANS solver PAB3D. This study compares with either direct numerical simulation data, experimental data, or empirical models for several different geometries with compressible, separated, and high Reynolds number flows. In general, the turbulence model matched data or followed experimental trends well, and for the selected configurations, the computational results of ISAAC closely matched those of PAB3D using the same turbulence model.

  12. Immediate IPTV channel leave by explicit user tracking in PON

    NASA Astrophysics Data System (ADS)

    Zhu, Peng; Yoshiuchi, Hideya; Yoshizawa, Satoshi

    2007-11-01

    In this paper, we propose a novel IPTV channel leave mechanism for Passive Optical Network (PON). By explicit user tracking and automatic differentiation of IGMP v2 and v3 users, the proposed mechanism can realize immediate channel leave in both Optical Line Terminal (OLT) and Optical Network Unit (ONU) while avoiding removing the channel which still has users. Simulation results show that the proposed mechanism can significantly save the bandwidth consumption during "channel surf" by users, compared to the standard IGMP timeout mechanism.

  13. Clinical expertise and the limits of explicit knowledge.

    PubMed

    Luchins, Daniel

    2012-01-01

    This article questions the view that medical decision-making can be reduced to a series of explicit rules, adherence to which will necessarily improve outcomes. Instead, it attempts to rehabilitate the concepts of clinical expertise and clinical experience, arguing that medicine, like other areas of expertise, depends on forms of implicit knowledge that can only be acquired through years of experience. Recent research on "fast and frugal" heuristics in medical decision-making suggest that statistical techniques are not necessarily superior to clinician judgment. Since clinical decisions are made on individual patients within the constraint of limited information, they must rest on clinical expertise and not clinical rules. PMID:22643764

  14. Constrained Unfolding of a Helical Peptide: Implicit versus Explicit Solvents

    PubMed Central

    Bureau, Hailey R.; Merz, Dale R.; Hershkovits, Eli; Quirk, Stephen; Hernandez, Rigoberto

    2015-01-01

    Steered Molecular Dynamics (SMD) has been seen to provide the potential of mean force (PMF) along a peptide unfolding pathway effectively but at significant computational cost, particularly in all-atom solvents. Adaptive steered molecular dynamics (ASMD) has been seen to provide a significant computational advantage by limiting the spread of the trajectories in a staged approach. The contraction of the trajectories at the end of each stage can be performed by taking a structure whose nonequilibrium work is closest to the Jarzynski average (in naive ASMD) or by relaxing the trajectories under a no-work condition (in full-relaxation ASMD—namely, FR-ASMD). Both approaches have been used to determine the energetics and hydrogen-bonding structure along the pathway for unfolding of a benchmark peptide initially constrained as an α-helix in a water environment. The energetics are quite different to those in vacuum, but are found to be similar between implicit and explicit solvents. Surprisingly, the hydrogen-bonding pathways are also similar in the implicit and explicit solvents despite the fact that the solvent contact plays an important role in opening the helix. PMID:25970521

  15. Explicit constructivism: a missing link in ineffective lectures?

    PubMed

    Prakash, E S

    2010-06-01

    This study tested the possibility that interactive lectures explicitly based on activating learners' prior knowledge and driven by a series of logical questions might enhance the effectiveness of lectures. A class of 54 students doing the respiratory system course in the second year of the Bachelor of Medicine and Bachelor of Surgery program in my university was randomized to two groups to receive one of two types of lectures, "typical" lectures (n = 28, 18 women and 10 men) or "constructivist" lectures (n = 26, 19 women and 7 men), on the same topic: the regulation of respiration. Student pretest scores in the two groups were comparable (P > 0.1). Students that received the constructivist lectures did much better in the posttest conducted immediately after the lectures (6.8 +/- 3.4 for constructivist lectures vs. 4.2 +/- 2.3 for typical lectures, means +/- SD, P = 0.004). Although both types of lectures were well received, students that received the constructivist lectures appeared to have been more satisfied with their learning experience. However, on a posttest conducted 4 mo later, scores obtained by students in the two groups were not any different (6.9 +/- 3 for constructivist lectures vs. 6.9 +/- 3.7 for typical lectures, P = 0.94). This study adds to the increasing body of evidence that there is a case for the use of interactive lectures that make the construction of knowledge and understanding explicit, easy, and enjoyable to learners.

  16. Neural networks underlying implicit and explicit moral evaluations in psychopathy

    PubMed Central

    Yoder, K J; Harenski, C; Kiehl, K A; Decety, J

    2015-01-01

    Psychopathy, characterized by symptoms of emotional detachment, reduced guilt and empathy and a callous disregard for the rights and welfare of others, is a strong risk factor for immoral behavior. Psychopathy is also marked by abnormal attention with downstream consequences on emotional processing. To examine the influence of task demands on moral evaluation in psychopathy, functional magnetic resonance imaging was used to measure neural response and functional connectivity in 88 incarcerated male subjects (28 with Psychopathy Checklist Revised (PCL-R) scores ⩾30) while they viewed dynamic visual stimuli depicting interpersonal harm and interpersonal assistance in two contexts, implicit and explicit. During the implicit task, high psychopathy was associated with reduced activity in the dorsolateral prefrontal cortex and caudate when viewing harmful compared with helpful social interactions. Functional connectivity seeded in the right amygdala and right temporoparietal junction revealed decreased coupling with the anterior cingulate cortex (ACC), anterior insula, striatum and ventromedial prefrontal cortex. In the explicit task, higher trait psychopathy predicted reduced signal change in ACC and amygdala, accompanied by decreased functional connectivity to temporal pole, insula and striatum, but increased connectivity with dorsal ACC. Psychopathy did not influence behavioral performance in either task, despite differences in neural activity and functional connectivity. These findings provide the first direct evidence that hemodynamic activity and neural coupling within the salience network are disrupted in psychopathy, and that the effects of psychopathy on moral evaluation are influenced by attentional demands. PMID:26305476

  17. Explicit integration of Friedmann's equation with nonlinear equations of state

    NASA Astrophysics Data System (ADS)

    Chen, Shouxin; Gibbons, Gary W.; Yang, Yisong

    2015-05-01

    In this paper we study the integrability of the Friedmann equations, when the equation of state for the perfect-fluid universe is nonlinear, in the light of the Chebyshev theorem. A series of important, yet not previously touched, problems will be worked out which include the generalized Chaplygin gas, two-term energy density, trinomial Friedmann, Born-Infeld, two-fluid models, and Chern-Simons modified gravity theory models. With the explicit integration, we are able to understand exactly the roles of the physical parameters in various models play in the cosmological evolution which may also offer clues to a profound understanding of the problems in general settings. For example, in the Chaplygin gas universe, a few integrable cases lead us to derive a universal formula for the asymptotic exponential growth rate of the scale factor, of an explicit form, whether the Friedmann equation is integrable or not, which reveals the coupled roles played by various physical sectors and it is seen that, as far as there is a tiny presence of nonlinear matter, conventional linear matter makes contribution to the dark matter, which becomes significant near the phantom divide line. The Friedmann equations also arise in areas of physics not directly related to cosmology. We provide some examples ranging from geometric optics and central orbits to soap films and the shape of glaciated valleys to which our results may be applied.

  18. Explicit simulation of a midlatitude Mesoscale Convective System

    SciTech Connect

    Alexander, G.D.; Cotton, W.R.

    1996-04-01

    We have explicitly simulated the mesoscale convective system (MCS) observed on 23-24 June 1985 during PRE-STORM, the Preliminary Regional Experiment for the Stormscale Operational and Research and Meterology Program. Stensrud and Maddox (1988), Johnson and Bartels (1992), and Bernstein and Johnson (1994) are among the researchers who have investigated various aspects of this MCS event. We have performed this MCS simulation (and a similar one of a tropical MCS; Alexander and Cotton 1994) in the spirit of the Global Energy and Water Cycle Experiment Cloud Systems Study (GCSS), in which cloud-resolving models are used to assist in the formulation and testing of cloud parameterization schemes for larger-scale models. In this paper, we describe (1) the nature of our 23-24 June MCS dimulation and (2) our efforts to date in using our explicit MCS simulations to assist in the development of a GCM parameterization for mesoscale flow branches. The paper is organized as follows. First, we discuss the synoptic situation surrounding the 23-24 June PRE-STORM MCS followed by a discussion of the model setup and results of our simulation. We then discuss the use of our MCS simulation. We then discuss the use of our MCS simulations in developing a GCM parameterization for mesoscale flow branches and summarize our results.

  19. Explicit Numerical Modeling of Heat Transfer in Glacial Channels

    NASA Astrophysics Data System (ADS)

    Jarosch, A. H.; Zwinger, T.

    2015-12-01

    Turbulent flow and heat transfer of water in englacial channels is explicitly modelelled and the numerical results are compared to the most commonly used heat transfer parameterization in glaciology, i.e. the Dittus-Boelter equation. The three-dimensional flow is simulated by solving the incompressible Navier-Stokes equations utilizing a variational multiscale method (VMS) turbulence model and the finite-element method (i.e. Elmer-FEM software), which also solves the heat equation. By studying a wide range of key parameters of the system, e.g. channel diameter, Reynolds number, water flux, water temperature and Darcy-Weisbach wall roughness (which is explicitly represented on the wall geometry), it is found that the Dittus-Boelter equation is inadequate for glaciological applications and a new, highly suitable heat transfer parameterization for englacial/subglacial channels will be presented. This new parameterization utilizes a standard combination of dimensionless numbers describing the flow and channel (i.e. Reynolds number, Prandtl number and Darcy-Weisbach roughness) to predict a suitable Nusselt number describing the effective heat transfer and thus can be readily used in existing englacial/subglacial hydrology models.

  20. Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16-18 elements

    SciTech Connect

    Peterson, Kirk A.; Figgen, Detlev; Goll, Erich; Stoll, Hermann; Dolg, Michael F.

    2003-12-01

    Series of correlation consistent basis sets have been developed for the post-d group 16-18 elements in conjunction with small-core relativistic pseudopotentials (PPs) of the energy-consistent variety. The latter were adjusted to multiconfiguration Dirac-Hartree-Fock data based on the Dirac-Coulomb-Breit Hamiltonian. The outer-core (n-1)spd shells are explicitly treated together with the nsp valence shell with these PPs. The accompanying cc-pVnZ-PP and aug-cc-pVnZ-PP basis sets range in size from DZ to 5Z quality and yield systematic convergence of both Hartree-Fock and correlated total energies. In addition to the calculation of atomic electron affinities and dipole polarizabilities of the rare gas atoms, numerous molecular benchmark calculations (HBr, HI, HAt, Br2, I2, At2, SiSe, SiTe, SiPo, KrH+, XeH+, and RnH+) are also reported at the coupled cluster level of theory. For the purposes of comparison, all-electron calculations using the Douglas-Kroll-Hess Hamiltonian have also been carried out for the halogen-containing molecules using basis sets of 5Z quality.

  1. Explicit Formulae for the Continued Fraction Convergents of "Square Root of D"

    ERIC Educational Resources Information Center

    Braza, Peter A.

    2010-01-01

    The formulae for the convergents of continued fractions are always given recursively rather than in explicit form. This article derives explicit formulae for the convergents of the continued fraction expansions for square roots.

  2. The role of sleep and practice in implicit and explicit motor learning

    PubMed Central

    Rieth, Cory A.; Cai, Denise J.; McDevitt, Elizabeth A.; Mednick, Sara C.

    2010-01-01

    Sleep is hypothesized to play a functional role in the consolidation of memory, with more robust findings for implicit, than explicit memory. Previous studies have observed improvements on an explicit motor task after a sleep period. We examined the role of massed practice and sleep on implicit and explicit learning within a motor task. Controlling for non-sleep factors (e.g. massed practice, circadian confounds) eliminated both explicit and implicit learning effects that have been attributed to sleep. PMID:20553972

  3. Electron correlations in copper oxides

    NASA Astrophysics Data System (ADS)

    Jefferson, J. H.

    A model which explicitly takes into account the hybridization of copper and oxygen orbitals and Coulomb correlations in copper-oxide chains and layers is considered. Degenerate perturbation theory is used to derive various effective Hamiltonians and shown to give rise to effective interactions which would be absent from a model that did not account for the oxygen states explicitly. In particular, there are hole-hole repulsion terms which mitigate against pairing. Exact solutions of the single hole problem and numerical solutions of the two-hole case for CuO chains confirm that the holes repel in the large correlation limit. Nous considérons un modèle dans lequel l'hybridation des orbitales de cuivre et d'oxygène et les corrélations de Coulomb en chaînes et en couches sont données explicitement. Les Hamiltoniens effectifs sont dérivés en utilisant la théorie de la perturbation dégénérée. On trouve les interactions effectives qui sont absentes d'un modèle dans lequel les états de l'oxygène ne sont pas considérés explicitement. Notamment, les forces répulsives entre les trous produisent une diminution de la probabilité d'association. Les solutions précises du problème pour un trou simple, et les solutions numériques du cas de deux trous dans les chaînes de CuO, confirment que dans la limite pour les corrélations fortes, les trous subissent une force répulsive.

  4. Product and Process Perspectives: an Empirical Study of Explicitation in Chinese-English Translation

    ERIC Educational Resources Information Center

    Fan, Zhewei

    2012-01-01

    Product-and process-oriented, this dissertation focuses on both the explicitness in translated texts and the implementation of explicitation in Chinese-English translation. In doing so, it provides a new cognitive framework for understanding explicitation as a strategic process. A specially designed study of the translation process facilitates the…

  5. Explicitness in Science Discourse: A Gricean Account of Income-Related Differences

    ERIC Educational Resources Information Center

    Avenia-Tapper, Brianna; Isacoff, Nora M.

    2016-01-01

    Highly explicit language use is prized in scientific discourse, and greater explicitness is hypothesized to facilitate academic achievement. Studies in the mid-twentieth century reported controversial findings that the explicitness of text differs by the income and education levels of authors' families. If income-related differences in…

  6. Cheesecake and Beefcake: No Matter How You Slice It, Sexual Explicitness in Advertising Continues to Increase.

    ERIC Educational Resources Information Center

    Reichert, Tom; Lambiase, Jacqueline; Morgan, Susan; Carstarphen, Meta; Zavoina, Susan

    1999-01-01

    Contributes to scholarship on sexual content and gender portrayals in advertising by assessing images of women and men in magazine ads in 1983 and 1993. Finds both genders were portrayed more explicitly and through more sexually intimate contact in 1993; images of men were more explicit in the 1990s; and portrayals were most explicit in women's…

  7. Erotic value of female distress in sexually explicit photographs.

    PubMed

    Heilbrun, A B; Seif, D T

    1988-01-01

    The extent to which distress of the female model contributed to the erotic value of sexually explicit photographs of women in bondage was studied for a sample of 54 young-adult college males. In addition, subjects were categorized by level of antisociality and level of facial-decoding skill with the prediction that the erotic value of a model in distress would be greatest for subjects departing most from social values (antisociality) and most capable of recognizing emotions as facially displayed by another person (facial decoding). There was an overall sadism effect. Most of the men reported pictures depicting a distressed model in bondage to be more sexually stimulating than pictures in which the female model displayed positive affect. The erotic value of distressed females in bondage was greatest when subjects combined greater anti-sociality and better facial-decoding skill. PMID:22375634

  8. Explicit integration with GPU acceleration for large kinetic networks

    DOE PAGES

    Brock, Benjamin; Belt, Andrew; Billings, Jay Jay; Guidry, Mike W.

    2015-09-15

    In this study, we demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely stiff thermonuclear network having 150 isotopic species and 1604 reactions coupled to hydrodynamics using operator splitting, we demonstrate the capability to solve of order 100 realistic kinetic networks in parallel in the same time that standard implicit methods can solve a single such network on a CPU. In addition, this orders-of-magnitude decrease in computation time for solving systems of realistic kinetic networks implies thatmore » important coupled, multiphysics problems in various scientific and technical fields that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible.« less

  9. Explicit solutions of normal form of driven oscillatory systems

    NASA Astrophysics Data System (ADS)

    Tsarouhas, George E.; Ross, John

    1987-12-01

    We consider an oscillatory dissipative system driven by external sinusoidal perturbations of given amplitude Q and frequency ω. The kinetic equations are transformed to normal form and solved for small Q, near a Hopf bifurcation to oscillations in the autonomous system, for ratios ωn to the autonomous frequency of irrational so that the response of the system is quasiperiodic. The system is assumed to have either two variables or is adequately described by two variables near the bifurcation, and we obtain explicit solutions for this general case. The equations show interesting effects of external perturbations on limit cycles, both stable and unstable. Next we treat a specific model (Brusselator) and show by comparison with results of numerical integration that the theory predicts well the shape of the perturbed limit cycle, its variation with changes in constraints and parameters, and the point of transition from quasiperiodic to periodic response.

  10. Modeling diffusion of adsorbed polymer with explicit solvent.

    PubMed

    Desai, Tapan G; Keblinski, Pawel; Kumar, Sanat K; Granick, Steve

    2007-05-25

    Computer simulations of a polymer chain of length N strongly adsorbed at the solid-liquid interface in the presence of explicit solvent are used to delineate the factors affecting the N dependence of the polymer lateral diffusion coefficient, D(||). We find that surface roughness has a large influence, and D(||) scales as D(||) approximately N(-x), with x approximately 3/4 and x approximately 1 for ideal smooth and corrugated surfaces, respectively. The first result is consistent with the hydrodynamics of a "particle" of radius of gyration R(G) approximately N(nu) (nu=0.75) translating parallel to a planar interface, while the second implies that the friction of the adsorbed chains dominates. These results are discussed in the context of recent measurements.

  11. Explicit excluded volume of cylindrically symmetric convex bodies.

    PubMed

    Piastra, Marco; Virga, Epifanio G

    2015-06-01

    We represent explicitly the excluded volume V(e){B(1),B(2)} of two generic cylindrically symmetric, convex rigid bodies, B(1) and B(2), in terms of a family of shape functionals evaluated separately on B(1) and B(2). We show that V(e){B(1),B(2)} fails systematically to feature a dipolar component, thus making illusory the assignment of any shape dipole to a tapered body in this class. The method proposed here is applied to cones and validated by a shape-reconstruction algorithm. It is further applied to spheroids (ellipsoids of revolution), for which it shows how some analytic estimates already regarded as classics should indeed be emended. PMID:26172727

  12. Effects of explicit atmospheric convection at high CO2.

    PubMed

    Arnold, Nathan P; Branson, Mark; Burt, Melissa A; Abbot, Dorian S; Kuang, Zhiming; Randall, David A; Tziperman, Eli

    2014-07-29

    The effect of clouds on climate remains the largest uncertainty in climate change predictions, due to the inability of global climate models (GCMs) to resolve essential small-scale cloud and convection processes. We compare preindustrial and quadrupled CO2 simulations between a conventional GCM in which convection is parameterized and a "superparameterized" model in which convection is explicitly simulated with a cloud-permitting model in each grid cell. We find that the global responses of the two models to increased CO2 are broadly similar: both simulate ice-free Arctic summers, wintertime Arctic convection, and enhanced Madden-Julian oscillation (MJO) activity. Superparameterization produces significant differences at both CO2 levels, including greater Arctic cloud cover, further reduced sea ice area at high CO2, and a stronger increase with CO2 of the MJO.

  13. Effects of explicit atmospheric convection at high CO2

    PubMed Central

    Arnold, Nathan P.; Branson, Mark; Burt, Melissa A.; Abbot, Dorian S.; Kuang, Zhiming; Randall, David A.; Tziperman, Eli

    2014-01-01

    The effect of clouds on climate remains the largest uncertainty in climate change predictions, due to the inability of global climate models (GCMs) to resolve essential small-scale cloud and convection processes. We compare preindustrial and quadrupled CO2 simulations between a conventional GCM in which convection is parameterized and a “superparameterized” model in which convection is explicitly simulated with a cloud-permitting model in each grid cell. We find that the global responses of the two models to increased CO2 are broadly similar: both simulate ice-free Arctic summers, wintertime Arctic convection, and enhanced Madden–Julian oscillation (MJO) activity. Superparameterization produces significant differences at both CO2 levels, including greater Arctic cloud cover, further reduced sea ice area at high CO2, and a stronger increase with CO2 of the MJO. PMID:25024204

  14. An explicit example of Hopf bifurcation in fluid mechanics

    NASA Technical Reports Server (NTRS)

    Kloeden, P.; Wells, R.

    1983-01-01

    It is observed that a complete and explicit example of Hopf bifurcation appears not to be known in fluid mechanics. Such an example is presented for the rotating Benard problem with free boundary conditions on the upper and lower faces, and horizontally periodic solutions. Normal modes are found for the linearization, and the Veronis computation of the wave numbers is modified to take into account the imposed horizontal periodicity. An invariant subspace of the phase space is found in which the hypotheses of the Joseph-Sattinger theorem are verified, thus demonstrating the Hopf bifurcation. The criticality calculations are carried through to demonstrate rigorously, that the bifurcation is subcritical for certain cases, and to demonstrate numerically that it is subcritical for all the cases in the paper.

  15. Explicit Associative Learning and Memory in Synesthetes and Nonsynesthetes

    PubMed Central

    Aslin, Richard N.

    2016-01-01

    Most current theories regarding the development of synesthesia focus on cross-modal neural connections and genetic underpinnings, but recent evidence has revitalized the potential role of associative learning. In the present study, we compared synesthetes’ and controls’ ability to explicitly learn shape-color pairings. Using a continuous measure of accuracy and multiple testing blocks, we found that synesthetes learned these pairings faster than controls. In a delayed retest, synesthetes outperformed controls, demonstrating enhanced long-term memory for shape–color associations. Following this retest, participants learned shuffled associations, and we found little evidence for group differences in subsequent learning ability. Overall, our findings support the hypothesis that synesthetes have exceptional associative learning abilities and further specify that this advantage pertains to the initial learning rate and long-term retention of associations.

  16. Multiresolution and Explicit Methods for Vector Field Analysis and Visualization

    NASA Technical Reports Server (NTRS)

    Nielson, Gregory M.

    1997-01-01

    This is a request for a second renewal (3d year of funding) of a research project on the topic of multiresolution and explicit methods for vector field analysis and visualization. In this report, we describe the progress made on this research project during the second year and give a statement of the planned research for the third year. There are two aspects to this research project. The first is concerned with the development of techniques for computing tangent curves for use in visualizing flow fields. The second aspect of the research project is concerned with the development of multiresolution methods for curvilinear grids and their use as tools for visualization, analysis and archiving of flow data. We report on our work on the development of numerical methods for tangent curve computation first.

  17. Explicit densities of multidimensional ballistic Lévy walks

    NASA Astrophysics Data System (ADS)

    Magdziarz, Marcin; Zorawik, Tomasz

    2016-08-01

    Lévy walks have proved to be useful models of stochastic dynamics with a number of applications in the modeling of real-life phenomena. In this paper we derive explicit formulas for densities of the two- (2D) and three-dimensional (3D) ballistic Lévy walks, which are most important in applications. It turns out that in the 3D case the densities are given by elementary functions. The densities of the 2D Lévy walks are expressed in terms of hypergeometric functions and the right-side Riemann-Liouville fractional derivative, which allows us to efficiently evaluate them numerically. The theoretical results agree perfectly with Monte Carlo simulations.

  18. Explicit Associative Learning and Memory in Synesthetes and Nonsynesthetes

    PubMed Central

    Aslin, Richard N.

    2016-01-01

    Most current theories regarding the development of synesthesia focus on cross-modal neural connections and genetic underpinnings, but recent evidence has revitalized the potential role of associative learning. In the present study, we compared synesthetes’ and controls’ ability to explicitly learn shape-color pairings. Using a continuous measure of accuracy and multiple testing blocks, we found that synesthetes learned these pairings faster than controls. In a delayed retest, synesthetes outperformed controls, demonstrating enhanced long-term memory for shape–color associations. Following this retest, participants learned shuffled associations, and we found little evidence for group differences in subsequent learning ability. Overall, our findings support the hypothesis that synesthetes have exceptional associative learning abilities and further specify that this advantage pertains to the initial learning rate and long-term retention of associations. PMID:27698986

  19. Evolution of Implicit and Explicit Communication in Mobile Robots

    NASA Astrophysics Data System (ADS)

    de Greeff, Joachim; Nolfi, Stefano

    This work investigates the conditions in which a population of embodied agents evolved for the ability to display coordinated/cooperative skills can develop an ability to communicate, whether and to what extent the evolved communication system can complexify during the course of the evolutionary process, and how the characteristics of such communication system varies evolutionarily. The analysis of the obtained results indicates that evolving robots develop a capacity to access/generate information which has a communicative value, an ability to produce different signals encoding useful regularities, and an ability to react appropriately to explicit and implicit signals. The analysis of the obtained results allows us to formulate detailed hypothesis on the evolution of communication for what concern aspects such us: (i) how communication can emerge from a population of initially non-communicating agents, (ii) how communication systems can complexify, (iii) how signals/meanings can originate and how they can be grounded in agents' sensory-motor states.

  20. Explicit equilibria in a kinetic model of gambling

    NASA Astrophysics Data System (ADS)

    Bassetti, F.; Toscani, G.

    2010-06-01

    We introduce and discuss a nonlinear kinetic equation of Boltzmann type which describes the evolution of wealth in a pure gambling process, where the entire sum of wealths of two agents is up for gambling, and randomly shared between the agents. For this equation the analytical form of the steady states is found for various realizations of the random fraction of the sum which is shared to the agents. Among others, the exponential distribution appears as steady state in case of a uniformly distributed random fraction, while Gamma distribution appears for a random fraction which is Beta distributed. The case in which the gambling game is only conservative-in-the-mean is shown to lead to an explicit heavy tailed distribution.

  1. Explicit integration with GPU acceleration for large kinetic networks

    SciTech Connect

    Brock, Benjamin; Belt, Andrew; Billings, Jay Jay; Guidry, Mike W.

    2015-09-15

    In this study, we demonstrate the first implementation of recently-developed fast explicit kinetic integration algorithms on modern graphics processing unit (GPU) accelerators. Taking as a generic test case a Type Ia supernova explosion with an extremely stiff thermonuclear network having 150 isotopic species and 1604 reactions coupled to hydrodynamics using operator splitting, we demonstrate the capability to solve of order 100 realistic kinetic networks in parallel in the same time that standard implicit methods can solve a single such network on a CPU. In addition, this orders-of-magnitude decrease in computation time for solving systems of realistic kinetic networks implies that important coupled, multiphysics problems in various scientific and technical fields that were intractable, or could be simulated only with highly schematic kinetic networks, are now computationally feasible.

  2. Orbital maneuver optimization using time-explicit power series

    NASA Astrophysics Data System (ADS)

    Thorne, James D.

    2011-05-01

    Orbital maneuver transfer time optimization is traditionally accomplished using direct numerical sampling to find the mission design with the lowest delta-v requirements. The availability of explicit time series solutions to the Lambert orbit determination problem allows for the total delta-v of a series of orbital maneuvers to be expressed as an algebraic function of only the individual transfer times. The delta-v function is then minimized for a series of maneuvers by finding the optimal transfer times for each orbital arc. Results are shown for the classical example of the Hohmann transfer, a noncoplanar transfer as well as an interplanetary fly-by mission to the asteroids Pallas and Juno.

  3. DYNA2D96. Explicit 2-D Hydrodynamic FEM Program

    SciTech Connect

    Whirley, R.G.

    1992-04-01

    DYNA2D is a vectorized, explicit, two-dimensional, axisymmetric and plane strain finite element program for analyzing the large deformation dynamic and hydrodynamic response of inelastic solids. DYNA2D contains 13 material models and 9 equations of state (EOS) to cover a wide range of material behavior. The material models implemented in all machine versions are: elastic, orthotropic elastic, kinematic/isotropic elastic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, rubber, high explosive burn, isotropic elastic-plastic, temperature-dependent elastic-plastic. The isotropic and temperature-dependent elastic-plastic models determine only the deviatoric stresses. Pressure is determined by one of 9 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, and tabulated.

  4. Explicit densities of multidimensional ballistic Lévy walks.

    PubMed

    Magdziarz, Marcin; Zorawik, Tomasz

    2016-08-01

    Lévy walks have proved to be useful models of stochastic dynamics with a number of applications in the modeling of real-life phenomena. In this paper we derive explicit formulas for densities of the two- (2D) and three-dimensional (3D) ballistic Lévy walks, which are most important in applications. It turns out that in the 3D case the densities are given by elementary functions. The densities of the 2D Lévy walks are expressed in terms of hypergeometric functions and the right-side Riemann-Liouville fractional derivative, which allows us to efficiently evaluate them numerically. The theoretical results agree perfectly with Monte Carlo simulations. PMID:27627269

  5. Benchmarking and improving microbial-explicit soil biogeochemistry models

    NASA Astrophysics Data System (ADS)

    Wieder, W. R.; Bonan, G. B.; Hartman, M. D.; Sulman, B. N.; Wang, Y.

    2015-12-01

    Earth system models that are designed to project future carbon (C) cycle - climate feedbacks exhibit notably poor representation of soil biogeochemical processes and generate highly uncertain projections about the fate of the largest terrestrial C pool on Earth. Given these shortcomings there has been intense interest in soil biogeochemical model development, but parallel efforts to create the analytical tools to characterize, improve and benchmark these models have thus far lagged behind. A long-term goal of this work is to develop a framework to compare, evaluate and improve the process-level representation of soil biogeochemical models that could be applied in global land surface models. Here, we present a newly developed global model test bed that is built on the Carnegie Ames Stanford Approach model (CASA-CNP) that can rapidly integrate different soil biogeochemical models that are forced with consistent driver datasets. We focus on evaluation of two microbial explicit soil biogeochemical models that function at global scales: the MIcrobial-MIneral Carbon Stabilization model (MIMICS) and Carbon, Organisms, Rhizosphere, and Protection in the Soil Environment (CORPSE) model. Using the global model test bed coupled to MIMICS and CORPSE we quantify the uncertainty in potential C cycle - climate feedbacks that may be expected with these microbial explicit models, compared with a conventional first-order, linear model. By removing confounding variation of climate and vegetation drivers, our model test bed allows us to isolate key differences among different soil model structure and parameterizations that can be evaluated with further study. Specifically, the global test bed also identifies key parameters that can be estimated using cross-site observations. In global simulations model results are evaluated with steady state litter, microbial biomass, and soil C pools and benchmarked against independent globally gridded data products.

  6. Spatially explicit shallow landslide susceptibility mapping over large areas

    USGS Publications Warehouse

    Bellugi, Dino; Dietrich, William E.; Stock, Jonathan D.; McKean, Jim; Kazian, Brian; Hargrove, Paul

    2011-01-01

    Recent advances in downscaling climate model precipitation predictions now yield spatially explicit patterns of rainfall that could be used to estimate shallow landslide susceptibility over large areas. In California, the United States Geological Survey is exploring community emergency response to the possible effects of a very large simulated storm event and to do so it has generated downscaled precipitation maps for the storm. To predict the corresponding pattern of shallow landslide susceptibility across the state, we have used the model Shalstab (a coupled steady state runoff and infinite slope stability model) which susceptibility spatially explicit estimates of relative potential instability. Such slope stability models that include the effects of subsurface runoff on potentially destabilizing pore pressure evolution require water routing and hence the definition of upslope drainage area to each potential cell. To calculate drainage area efficiently over a large area we developed a parallel framework to scale-up Shalstab and specifically introduce a new efficient parallel drainage area algorithm which produces seamless results. The single seamless shallow landslide susceptibility map for all of California was accomplished in a short run time, and indicates that much larger areas can be efficiently modelled. As landslide maps generally over predict the extent of instability for any given storm. Local empirical data on the fraction of predicted unstable cells that failed for observed rainfall intensity can be used to specify the likely extent of hazard for a given storm. This suggests that campaigns to collect local precipitation data and detailed shallow landslide location maps after major storms could be used to calibrate models and improve their use in hazard assessment for individual storms.

  7. SEARCH: Spatially Explicit Animal Response to Composition of Habitat

    PubMed Central

    Pauli, Benjamin P.; McCann, Nicholas P.; Zollner, Patrick A.; Cummings, Robert; Gilbert, Jonathan H.; Gustafson, Eric J.

    2013-01-01

    Complex decisions dramatically affect animal dispersal and space use. Dispersing individuals respond to a combination of fine-scale environmental stimuli and internal attributes. Individual-based modeling offers a valuable approach for the investigation of such interactions because it combines the heterogeneity of animal behaviors with spatial detail. Most individual-based models (IBMs), however, vastly oversimplify animal behavior and such behavioral minimalism diminishes the value of these models. We present program SEARCH (Spatially Explicit Animal Response to Composition of Habitat), a spatially explicit, individual-based, population model of animal dispersal through realistic landscapes. SEARCH uses values in Geographic Information System (GIS) maps to apply rules that animals follow during dispersal, thus allowing virtual animals to respond to fine-scale features of the landscape and maintain a detailed memory of areas sensed during movement. SEARCH also incorporates temporally dynamic landscapes so that the environment to which virtual animals respond can change during the course of a simulation. Animals in SEARCH are behaviorally dynamic and able to respond to stimuli based upon their individual experiences. Therefore, SEARCH is able to model behavioral traits of dispersing animals at fine scales and with many dynamic aspects. Such added complexity allows investigation of unique ecological questions. To illustrate SEARCH's capabilities, we simulated case studies using three mammals. We examined the impact of seasonally variable food resources on the weight distribution of dispersing raccoons (Procyon lotor), the effect of temporally dynamic mortality pressure in combination with various levels of behavioral responsiveness in eastern chipmunks (Tamias striatus), and the impact of behavioral plasticity and home range selection on disperser mortality and weight change in virtual American martens (Martes americana). These simulations highlight the relevance of

  8. Spatially explicit spectral analysis of point clouds and geospatial data

    NASA Astrophysics Data System (ADS)

    Buscombe, Daniel

    2016-01-01

    The increasing use of spatially explicit analyses of high-resolution spatially distributed data (imagery and point clouds) for the purposes of characterising spatial heterogeneity in geophysical phenomena necessitates the development of custom analytical and computational tools. In recent years, such analyses have become the basis of, for example, automated texture characterisation and segmentation, roughness and grain size calculation, and feature detection and classification, from a variety of data types. In this work, much use has been made of statistical descriptors of localised spatial variations in amplitude variance (roughness), however the horizontal scale (wavelength) and spacing of roughness elements is rarely considered. This is despite the fact that the ratio of characteristic vertical to horizontal scales is not constant and can yield important information about physical scaling relationships. Spectral analysis is a hitherto under-utilised but powerful means to acquire statistical information about relevant amplitude and wavelength scales, simultaneously and with computational efficiency. Further, quantifying spatially distributed data in the frequency domain lends itself to the development of stochastic models for probing the underlying mechanisms which govern the spatial distribution of geological and geophysical phenomena. The software package PySESA (Python program for Spatially Explicit Spectral Analysis) has been developed for generic analyses of spatially distributed data in both the spatial and frequency domains. Developed predominantly in Python, it accesses libraries written in Cython and C++ for efficiency. It is open source and modular, therefore readily incorporated into, and combined with, other data analysis tools and frameworks with particular utility for supporting research in the fields of geomorphology, geophysics, hydrography, photogrammetry and remote sensing. The analytical and computational structure of the toolbox is described

  9. SEARCH: Spatially Explicit Animal Response to Composition of Habitat.

    PubMed

    Pauli, Benjamin P; McCann, Nicholas P; Zollner, Patrick A; Cummings, Robert; Gilbert, Jonathan H; Gustafson, Eric J

    2013-01-01

    Complex decisions dramatically affect animal dispersal and space use. Dispersing individuals respond to a combination of fine-scale environmental stimuli and internal attributes. Individual-based modeling offers a valuable approach for the investigation of such interactions because it combines the heterogeneity of animal behaviors with spatial detail. Most individual-based models (IBMs), however, vastly oversimplify animal behavior and such behavioral minimalism diminishes the value of these models. We present program SEARCH (Spatially Explicit Animal Response to Composition of Habitat), a spatially explicit, individual-based, population model of animal dispersal through realistic landscapes. SEARCH uses values in Geographic Information System (GIS) maps to apply rules that animals follow during dispersal, thus allowing virtual animals to respond to fine-scale features of the landscape and maintain a detailed memory of areas sensed during movement. SEARCH also incorporates temporally dynamic landscapes so that the environment to which virtual animals respond can change during the course of a simulation. Animals in SEARCH are behaviorally dynamic and able to respond to stimuli based upon their individual experiences. Therefore, SEARCH is able to model behavioral traits of dispersing animals at fine scales and with many dynamic aspects. Such added complexity allows investigation of unique ecological questions. To illustrate SEARCH's capabilities, we simulated case studies using three mammals. We examined the impact of seasonally variable food resources on the weight distribution of dispersing raccoons (Procyon lotor), the effect of temporally dynamic mortality pressure in combination with various levels of behavioral responsiveness in eastern chipmunks (Tamias striatus), and the impact of behavioral plasticity and home range selection on disperser mortality and weight change in virtual American martens (Martes americana). These simulations highlight the relevance of

  10. Spatially explicit spectral analysis of point clouds and geospatial data

    USGS Publications Warehouse

    Buscombe, Daniel D.

    2015-01-01

    The increasing use of spatially explicit analyses of high-resolution spatially distributed data (imagery and point clouds) for the purposes of characterising spatial heterogeneity in geophysical phenomena necessitates the development of custom analytical and computational tools. In recent years, such analyses have become the basis of, for example, automated texture characterisation and segmentation, roughness and grain size calculation, and feature detection and classification, from a variety of data types. In this work, much use has been made of statistical descriptors of localised spatial variations in amplitude variance (roughness), however the horizontal scale (wavelength) and spacing of roughness elements is rarely considered. This is despite the fact that the ratio of characteristic vertical to horizontal scales is not constant and can yield important information about physical scaling relationships. Spectral analysis is a hitherto under-utilised but powerful means to acquire statistical information about relevant amplitude and wavelength scales, simultaneously and with computational efficiency. Further, quantifying spatially distributed data in the frequency domain lends itself to the development of stochastic models for probing the underlying mechanisms which govern the spatial distribution of geological and geophysical phenomena. The software packagePySESA (Python program for Spatially Explicit Spectral Analysis) has been developed for generic analyses of spatially distributed data in both the spatial and frequency domains. Developed predominantly in Python, it accesses libraries written in Cython and C++ for efficiency. It is open source and modular, therefore readily incorporated into, and combined with, other data analysis tools and frameworks with particular utility for supporting research in the fields of geomorphology, geophysics, hydrography, photogrammetry and remote sensing. The analytical and computational structure of the toolbox is

  11. Meta-analytic evidence of low convergence between implicit and explicit measures of the needs for achievement, affiliation, and power

    PubMed Central

    Köllner, Martin G.; Schultheiss, Oliver C.

    2014-01-01

    The correlation between implicit and explicit motive measures and potential moderators of this relationship were examined meta-analytically, using Hunter and Schmidt's (2004) approach. Studies from a comprehensive search in PsycINFO, data sets of our research group, a literature list compiled by an expert, and the results of a request for gray literature were examined for relevance and coded. Analyses were based on 49 papers, 56 independent samples, 6151 subjects, and 167 correlations. The correlations (ρ) between implicit and explicit measures were 0.130 (CI: 0.077–0.183) for the overall relationship, 0.116 (CI: 0.050–0.182) for affiliation, 0.139 (CI: 0.080–0.198) for achievement, and 0.038 (CI: −0.055–0.131) for power. Participant age did not moderate the size of these relationships. However, a greater proportion of males in the samples and an earlier publication year were associated with larger effect sizes. PMID:25152741

  12. Explicit memory in frontotemporal dementia: the role of medial temporal atrophy.

    PubMed

    Lavenu, I; Pasquier, F; Lebert, F; Pruvo, J P; Petit, H

    1998-01-01

    In our memory clinic experience, memory impairment differs widely in patients with frontotemporal dementia (FTD). We searched for a correlation between explicit memory disturbance assessed with the Grober and Buschke test and medial temporal atrophy on CT scan in 22 consecutive patients with FTD. Five of the 22 patients had a medial temporal lobe (MTL) atrophy. There was no significant difference between the two groups for the demographic characteristics. Free recall, cued recall and the learning curve were significantly better in patients without MTL atrophy. The patients with MTL atrophy made more intrusions. We found a positive correlation between total recall and cued recall and the mean of medial temporal lobe measurement. These results are in agreement with the role of the hippocampal formation in the memory process. In our group, the ratio of patients with MTL atrophy is similar to the ratio of Pick's disease in frontotemporal dementia. In histological series more severe hippocampal atrophy are reported in Pick's disease. Therefore MTL atrophy on CT scan could be a marker of Pick's disease in FTD. PMID:9524801

  13. A realizable explicit algebraic Reynolds stress model for compressible turbulent flow with significant mean dilatation

    NASA Astrophysics Data System (ADS)

    Grigoriev, I. A.; Wallin, S.; Brethouwer, G.; Johansson, A. V.

    2013-10-01

    The explicit algebraic Reynolds stress model of Wallin and Johansson [J. Fluid Mech. 403, 89 (2000)] is extended to compressible and variable-density turbulent flows. This is achieved by correctly taking into account the influence of the mean dilatation on the rapid pressure-strain correlation. The resulting model is formally identical to the original model in the limit of constant density. For two-dimensional mean flows the model is analyzed and the physical root of the resulting quartic equation is identified. Using a fixed-point analysis of homogeneously sheared and strained compressible flows, we show that the new model is realizable, unlike the previous model. Application of the model together with a K - ω model to quasi one-dimensional plane nozzle flow, transcending from subsonic to supersonic regime, also demonstrates realizability. Negative "dilatational" production of turbulence kinetic energy competes with positive "incompressible" production, eventually making the total production negative during the spatial evolution of the nozzle flow. Finally, an approach to include the baroclinic effect into the dissipation equation is proposed and an algebraic model for density-velocity correlations is outlined to estimate the corrections associated with density fluctuations. All in all, the new model can become a significant tool for CFD (computational fluid dynamics) of compressible flows.

  14. Investigation of High School Students' Online Science Information Searching Performance: The Role of Implicit and Explicit Strategies

    NASA Astrophysics Data System (ADS)

    Tsai, Meng-Jung; Hsu, Chung-Yuan; Tsai, Chin-Chung

    2011-04-01

    Due to a growing trend of exploring scientific knowledge on the Web, a number of studies have been conducted to highlight examination of students' online searching strategies. The investigation of online searching generally employs methods including a survey, interview, screen-capturing, or transactional logs. The present study firstly intended to utilize a survey, the Online Information Searching Strategies Inventory (OISSI), to examine users' searching strategies in terms of control, orientation, trial and error, problem solving, purposeful thinking, selecting main ideas, and evaluation, which is defined as implicit strategies. Second, this study conducted screen-capturing to investigate the students' searching behaviors regarding the number of keywords, the quantity and depth of Web page exploration, and time attributes, which is defined as explicit strategies. Ultimately, this study explored the role that these two types of strategies played in predicting the students' online science information searching outcomes. A total of 103 Grade 10 students were recruited from a high school in northern Taiwan. Through Pearson correlation and multiple regression analyses, the results showed that the students' explicit strategies, particularly the time attributes proposed in the present study, were more successful than their implicit strategies in predicting their outcomes of searching science information. The participants who spent more time on detailed reading (explicit strategies) and had better skills of evaluating Web information (implicit strategies) tended to have superior searching performance.

  15. Explicit kinetic heterogeneity: mechanistic models for interpretation of labeling data in heterogeneous populations

    SciTech Connect

    Ganusov, Vitaly V

    2008-01-01

    Estimation of division and death rates of lymphocytes in different conditions is vital for quantitative understanding of the immune system. Deuterium, in the form of deuterated glucose or heavy water, can be used to measure rates of proliferation and death of lymphocytes in vivo. Inferring these rates from labeling and delabeling curves has been subject to considerable debate with different groups suggesting different mathematical models for that purpose. We show that the three models that are most commonly used are in fact mathematically identical and differ only in their interpretation of the estimated parameters. By extending these previous models, we here propose a more mechanistic approach for the analysis of data from deuterium labeling experiments. We construct a model of 'kinetic heterogeneity' in which the total cell population consists of many sub-populations with different rates of cell turnover. In this model, for a given distribution of the rates of turnover, the predicted fraction of labeled DNA accumulated and lost can be calculated. Our model reproduces several previously made experimental observations, such as a negative correlation between the length of the labeling period and the rate at which labeled DNA is lost after label cessation. We demonstrate the reliability of the new explicit kinetic heterogeneity model by applying it to artificially generated datasets, and illustrate its usefulness by fitting experimental data. In contrast to previous models, the explicit kinetic heterogeneity model (1) provides a mechanistic way of interpreting labeling data; (2) allows for a non-exponential loss of labeled cells during delabeling, and (3) can be used to describe data with variable labeling length.

  16. The next trial will be conflicting! Effects of explicit congruency pre-cues on cognitive control.

    PubMed

    Bugg, Julie M; Smallwood, Alicia

    2016-01-01

    The dual mechanisms of control account proposed a role for proactive and reactive mechanisms in minimizing or resolving interference in conflict tasks. Proactive mechanisms are activated in advance of stimulus onset and lead to preparatory biasing of attention in a goal-directed fashion. Reactive mechanisms are triggered post-stimulus onset. Using an explicit, trial-by-trial pre-cueing procedure in a 4-choice color-word Stroop task, we investigated effects of congruency pre-cues on cognitive control. Under conditions of stimulus uncertainty (i.e., each word was associated with multiple, equally probable responses), pre-cue benefits were observed on incongruent trials when cues were 100% valid but not when they were 75% valid. These benefits were selectively found at the longest cue-to-stimulus interval (2,000 ms), consistent with a preparation-dependent proactive control mechanism. By contrast, when a reactive strategy of switching attention to the irrelevant dimension to predict the single correlated response was viable, pre-cue benefits were observed on incongruent trials for all cue-to-stimulus intervals including the shortest that afforded only 500 ms to prepare. The findings (a) suggest a restricted role for the preparation-dependent biasing of attention via proactive control in response to explicit, trial-by-trial pre-cues while (b) highlighting strategies that lead to pre-cue benefits but which appear to reflect primarily reactive use of the information afforded by the pre-cues. We conclude that pre-cues, though available in advance of stimulus onset, may stimulate proactive or reactive minimization of interference. PMID:25522873

  17. Explicit convection studies in a global climate model

    NASA Astrophysics Data System (ADS)

    Roberts, Malcolm J.; Peatman, Simon; Birch, Cathryn; Mizielinski, Matthew; Vidale, Pier Luigi; Demory, Marie-Estelle; Schiemann, Reinhard

    2014-05-01

    Most global climate models typically have a diurnal cycle of precipitation peaking near midday in the tropics, which is primarily attributed to the formulation of the parameterisation of convection. Recent advances in supercomputing have made it possible to follow the lead of regional modelling (such as the CASCADE project), and a few global modelling groups, to push global model resolutions far enough into the convective "grey zone" to consider removing or reducing the impact of such parameterisation. Although the explicit representation of convection at such coarse resolutions may be questionable, it does enable an investigation (in a global modelling context) of how a change in the diurnal cycle of precipitation might feed back on the large-scale mean state. Several multi-year simulations using a global atmospheric model at 12km resolution (based on the Met Office Unified Model with Global Atmosphere GA3.0 configuration) have been completed, using either parameterised convection or an explicit representation of either all or just deep convection in combination with a Smagorinsky-type turbulence scheme. The diurnal cycle of precipitation over tropical land is shown to be greatly improved when no parameterisation of deep convection is used: it is revealed both in the timing and magnitude of precipitation events, with much improved propagation of convective systems over Africa, albeit not over the Great Plains of the US. The impact that the changed diurnal cycle has on aspects of the mean state, such as surface fluxes, soil moisture and surface winds has also been investigated. There are interesting differences in the diurnal cycle of surface winds between the models, with changes to both sea breeze-type circulations as well as to very large-scale wind direction between morning and evening, which are also seen in satellite-derived observations from QuikScat. The former has important implications for the formation of intense thunderstorms and associated

  18. Correlated electron pseudopotentials for 3d-transition metals

    SciTech Connect

    Trail, J. R. Needs, R. J.

    2015-02-14

    A recently published correlated electron pseudopotentials (CEPPs) method has been adapted for application to the 3d-transition metals, and to include relativistic effects. New CEPPs are reported for the atoms Sc − Fe, constructed from atomic quantum chemical calculations that include an accurate description of correlated electrons. Dissociation energies, molecular geometries, and zero-point vibrational energies of small molecules are compared with all electron results, with all quantities evaluated using coupled cluster singles doubles and triples calculations. The CEPPs give better results in the correlated-electron calculations than Hartree-Fock-based pseudopotentials available in the literature.

  19. Correlation consistent basis sets for the atoms In–Xe

    SciTech Connect

    Mahler, Andrew; Wilson, Angela K.

    2015-02-28

    In this work, the correlation consistent family of Gaussian basis sets has been expanded to include all-electron basis sets for In–Xe. The methodology for developing these basis sets is described, and several examples of the performance and utility of the new sets have been provided. Dissociation energies and bond lengths for both homonuclear and heteronuclear diatomics demonstrate the systematic convergence behavior with respect to increasing basis set quality expected by the family of correlation consistent basis sets in describing molecular properties. Comparison with recently developed correlation consistent sets designed for use with the Douglas-Kroll Hamiltonian is provided.

  20. Two Views About Explicitly Teaching Nature of Science

    NASA Astrophysics Data System (ADS)

    Duschl, Richard A.; Grandy, Richard

    2013-09-01

    Our focus is on the effects that dated ideas about the nature of science (NOS) have on curriculum, instruction and assessments. First we examine historical developments in teaching about NOS, beginning with the seminal ideas of James Conant. Next we provide an overview of recent developments in philosophy and cognitive sciences that have shifted NOS characterizations away from general heuristic principles toward cognitive and social elements. Next, we analyze two alternative views regarding `explicitly teaching' NOS in pre-college programs. Version 1 is grounded in teachers presenting `Consensus-based Heuristic Principles' in science lessons and activities. Version 2 is grounded in learners experience of `Building and Refining Model-Based Scientific Practices' in critique and communication enactments that occur in longer immersion units and learning progressions. We argue that Version 2 is to be preferred over Version 1 because it develops the critical epistemic cognitive and social practices that scientists and science learners use when (1) developing and evaluating scientific evidence, explanations and knowledge and (2) critiquing and communicating scientific ideas and information; thereby promoting science literacy.

  1. Explicit B-spline regularization in diffeomorphic image registration

    PubMed Central

    Tustison, Nicholas J.; Avants, Brian B.

    2013-01-01

    Diffeomorphic mappings are central to image registration due largely to their topological properties and success in providing biologically plausible solutions to deformation and morphological estimation problems. Popular diffeomorphic image registration algorithms include those characterized by time-varying and constant velocity fields, and symmetrical considerations. Prior information in the form of regularization is used to enforce transform plausibility taking the form of physics-based constraints or through some approximation thereof, e.g., Gaussian smoothing of the vector fields [a la Thirion's Demons (Thirion, 1998)]. In the context of the original Demons' framework, the so-called directly manipulated free-form deformation (DMFFD) (Tustison et al., 2009) can be viewed as a smoothing alternative in which explicit regularization is achieved through fast B-spline approximation. This characterization can be used to provide B-spline “flavored” diffeomorphic image registration solutions with several advantages. Implementation is open source and available through the Insight Toolkit and our Advanced Normalization Tools (ANTs) repository. A thorough comparative evaluation with the well-known SyN algorithm (Avants et al., 2008), implemented within the same framework, and its B-spline analog is performed using open labeled brain data and open source evaluation tools. PMID:24409140

  2. Explicit methods in extended phase space for inseparable Hamiltonian problems

    NASA Astrophysics Data System (ADS)

    Pihajoki, Pauli

    2015-03-01

    We present a method for explicit leapfrog integration of inseparable Hamiltonian systems by means of an extended phase space. A suitably defined new Hamiltonian on the extended phase space leads to equations of motion that can be numerically integrated by standard symplectic leapfrog (splitting) methods. When the leapfrog is combined with coordinate mixing transformations, the resulting algorithm shows good long term stability and error behaviour. We extend the method to non-Hamiltonian problems as well, and investigate optimal methods of projecting the extended phase space back to original dimension. Finally, we apply the methods to a Hamiltonian problem of geodesics in a curved space, and a non-Hamiltonian problem of a forced non-linear oscillator. We compare the performance of the methods to a general purpose differential equation solver LSODE, and the implicit midpoint method, a symplectic one-step method. We find the extended phase space methods to compare favorably to both for the Hamiltonian problem, and to the implicit midpoint method in the case of the non-linear oscillator.

  3. Spatially-explicit models of global tree density

    PubMed Central

    Glick, Henry B.; Bettigole, Charlie; Maynard, Daniel S.; Covey, Kristofer R.; Smith, Jeffrey R.; Crowther, Thomas W.

    2016-01-01

    Remote sensing and geographic analysis of woody vegetation provide means of evaluating the distribution of natural resources, patterns of biodiversity and ecosystem structure, and socio-economic drivers of resource utilization. While these methods bring geographic datasets with global coverage into our day-to-day analytic spheres, many of the studies that rely on these strategies do not capitalize on the extensive collection of existing field data. We present the methods and maps associated with the first spatially-explicit models of global tree density, which relied on over 420,000 forest inventory field plots from around the world. This research is the result of a collaborative effort engaging over 20 scientists and institutions, and capitalizes on an array of analytical strategies. Our spatial data products offer precise estimates of the number of trees at global and biome scales, but should not be used for local-level estimation. At larger scales, these datasets can contribute valuable insight into resource management, ecological modelling efforts, and the quantification of ecosystem services. PMID:27529613

  4. Spatially-explicit models of global tree density.

    PubMed

    Glick, Henry B; Bettigole, Charlie; Maynard, Daniel S; Covey, Kristofer R; Smith, Jeffrey R; Crowther, Thomas W

    2016-01-01

    Remote sensing and geographic analysis of woody vegetation provide means of evaluating the distribution of natural resources, patterns of biodiversity and ecosystem structure, and socio-economic drivers of resource utilization. While these methods bring geographic datasets with global coverage into our day-to-day analytic spheres, many of the studies that rely on these strategies do not capitalize on the extensive collection of existing field data. We present the methods and maps associated with the first spatially-explicit models of global tree density, which relied on over 420,000 forest inventory field plots from around the world. This research is the result of a collaborative effort engaging over 20 scientists and institutions, and capitalizes on an array of analytical strategies. Our spatial data products offer precise estimates of the number of trees at global and biome scales, but should not be used for local-level estimation. At larger scales, these datasets can contribute valuable insight into resource management, ecological modelling efforts, and the quantification of ecosystem services. PMID:27529613

  5. Parametrizing linear generalized Langevin dynamics from explicit molecular dynamics simulations

    SciTech Connect

    Gottwald, Fabian; Karsten, Sven; Ivanov, Sergei D. Kühn, Oliver

    2015-06-28

    Fundamental understanding of complex dynamics in many-particle systems on the atomistic level is of utmost importance. Often the systems of interest are of macroscopic size but can be partitioned into a few important degrees of freedom which are treated most accurately and others which constitute a thermal bath. Particular attention in this respect attracts the linear generalized Langevin equation, which can be rigorously derived by means of a linear projection technique. Within this framework, a complicated interaction with the bath can be reduced to a single memory kernel. This memory kernel in turn is parametrized for a particular system studied, usually by means of time-domain methods based on explicit molecular dynamics data. Here, we discuss that this task is more naturally achieved in frequency domain and develop a Fourier-based parametrization method that outperforms its time-domain analogues. Very surprisingly, the widely used rigid bond method turns out to be inappropriate in general. Importantly, we show that the rigid bond approach leads to a systematic overestimation of relaxation times, unless the system under study consists of a harmonic bath bi-linearly coupled to the relevant degrees of freedom.

  6. Numerical simulation of phase transition problems with explicit interface tracking

    DOE PAGES

    Hu, Yijing; Shi, Qiangqiang; de Almeida, Valmor F.; Li, Xiao-lin

    2015-12-19

    Phase change is ubiquitous in nature and industrial processes. Started from the Stefan problem, it is a topic with a long history in applied mathematics and sciences and continues to generate outstanding mathematical problems. For instance, the explicit tracking of the Gibbs dividing surface between phases is still a grand challenge. Our work has been motivated by such challenge and here we report on progress made in solving the governing equations of continuum transport in the presence of a moving interface by the front tracking method. The most pressing issue is the accounting of topological changes suffered by the interfacemore » between phases wherein break up and/or merge takes place. The underlying physics of topological changes require the incorporation of space-time subscales not at reach at the moment. Therefore we use heuristic geometrical arguments to reconnect phases in space. This heuristic approach provides new insight in various applications and it is extensible to include subscale physics and chemistry in the future. We demonstrate the method on applications such as simulating freezing, melting, dissolution, and precipitation. The later examples also include the coupling of the phase transition solution with the Navier-Stokes equations for the effect of flow convection.« less

  7. Numerical simulation of phase transition problems with explicit interface tracking

    SciTech Connect

    Hu, Yijing; Shi, Qiangqiang; de Almeida, Valmor F.; Li, Xiao-lin

    2015-12-19

    Phase change is ubiquitous in nature and industrial processes. Started from the Stefan problem, it is a topic with a long history in applied mathematics and sciences and continues to generate outstanding mathematical problems. For instance, the explicit tracking of the Gibbs dividing surface between phases is still a grand challenge. Our work has been motivated by such challenge and here we report on progress made in solving the governing equations of continuum transport in the presence of a moving interface by the front tracking method. The most pressing issue is the accounting of topological changes suffered by the interface between phases wherein break up and/or merge takes place. The underlying physics of topological changes require the incorporation of space-time subscales not at reach at the moment. Therefore we use heuristic geometrical arguments to reconnect phases in space. This heuristic approach provides new insight in various applications and it is extensible to include subscale physics and chemistry in the future. We demonstrate the method on applications such as simulating freezing, melting, dissolution, and precipitation. The later examples also include the coupling of the phase transition solution with the Navier-Stokes equations for the effect of flow convection.

  8. Active messages versus explicit message passing under SUNMOS

    SciTech Connect

    Riesen, R.; Wheat, S.R.; Maccabe, A.B.

    1994-07-01

    In the past few years much effort has been devoted to finding faster and more convenient ways to exchange data between nodes of massively parallel distributed memory machines. One such approach, taken by Thorsten von Eicken et al. is called Active Messages. The idea is to hide message passing latency and continue to compute while data is being sent and delivered. The authors have implemented Active Messages under SUNMOS for the Intel Paragon and performed various experiments to determine their efficiency and utility. In this paper they concentrate on the subset of the Active Message layer that is used by the implementation of the Split-C library. They compare performance to explicit message passing under SUNMOS and explore new ways to support Split-C without Active Messages. They also compare the implementation to the original one on the Thinking Machines CM-5 and try to determine what the effects of low latency and low band-width versus high latency and high bandwidth are on user codes.

  9. Explicit B-spline regularization in diffeomorphic image registration.

    PubMed

    Tustison, Nicholas J; Avants, Brian B

    2013-01-01

    Diffeomorphic mappings are central to image registration due largely to their topological properties and success in providing biologically plausible solutions to deformation and morphological estimation problems. Popular diffeomorphic image registration algorithms include those characterized by time-varying and constant velocity fields, and symmetrical considerations. Prior information in the form of regularization is used to enforce transform plausibility taking the form of physics-based constraints or through some approximation thereof, e.g., Gaussian smoothing of the vector fields [a la Thirion's Demons (Thirion, 1998)]. In the context of the original Demons' framework, the so-called directly manipulated free-form deformation (DMFFD) (Tustison et al., 2009) can be viewed as a smoothing alternative in which explicit regularization is achieved through fast B-spline approximation. This characterization can be used to provide B-spline "flavored" diffeomorphic image registration solutions with several advantages. Implementation is open source and available through the Insight Toolkit and our Advanced Normalization Tools (ANTs) repository. A thorough comparative evaluation with the well-known SyN algorithm (Avants et al., 2008), implemented within the same framework, and its B-spline analog is performed using open labeled brain data and open source evaluation tools.

  10. Maximum sustainable yields from a spatially-explicit harvest model.

    PubMed

    Takashina, Nao; Mougi, Akihiko

    2015-10-21

    Spatial heterogeneity plays an important role in complex ecosystem dynamics, and therefore is also an important consideration in sustainable resource management. However, little is known about how spatial effects can influence management targets derived from a non-spatial harvest model. Here, we extended the Schaefer model, a conventional non-spatial harvest model that is widely used in resource management, to a spatially-explicit harvest model by integrating environmental heterogeneities, as well as species exchange between patches. By comparing the maximum sustainable yields (MSY), one of the central management targets in resource management, obtained from the spatially extended model with that of the conventional model, we examined the effect of spatial heterogeneity. When spatial heterogeneity exists, we found that the Schaefer model tends to overestimate the MSY, implying potential for causing overharvesting. In addition, by assuming a well-mixed population in the heterogeneous environment, we showed analytically that the Schaefer model always overestimate the MSY, regardless of the number of patches existing. The degree of overestimation becomes significant when spatial heterogeneity is marked. Collectively, these results highlight the importance of integrating the spatial structure to conduct sustainable resource management.

  11. Global spatially explicit CO2 emission metrics for forest bioenergy

    NASA Astrophysics Data System (ADS)

    Cherubini, Francesco; Huijbregts, Mark; Kindermann, Georg; van Zelm, Rosalie; van der Velde, Marijn; Stadler, Konstantin; Strømman, Anders Hammer

    2016-02-01

    Emission metrics aggregate climate impacts of greenhouse gases to common units such as CO2-equivalents (CO2-eq.). Examples include the global warming potential (GWP), the global temperature change potential (GTP) and the absolute sustained emission temperature (aSET). Despite the importance of biomass as a primary energy supplier in existing and future scenarios, emission metrics for CO2 from forest bioenergy are only available on a case-specific basis. Here, we produce global spatially explicit emission metrics for CO2 emissions from forest bioenergy and illustrate their applications to global emissions in 2015 and until 2100 under the RCP8.5 scenario. We obtain global average values of 0.49 ± 0.03 kgCO2-eq. kgCO2-1 (mean ± standard deviation) for GWP, 0.05 ± 0.05 kgCO2-eq. kgCO2-1 for GTP, and 2.14·10-14 ± 0.11·10-14 °C (kg yr-1)-1 for aSET. We explore metric dependencies on temperature, precipitation, biomass turnover times and extraction rates of forest residues. We find relatively high emission metrics with low precipitation, long rotation times and low residue extraction rates. Our results provide a basis for assessing CO2 emissions from forest bioenergy under different indicators and across various spatial and temporal scales.

  12. Global spatially explicit CO2 emission metrics for forest bioenergy.

    PubMed

    Cherubini, Francesco; Huijbregts, Mark; Kindermann, Georg; Van Zelm, Rosalie; Van Der Velde, Marijn; Stadler, Konstantin; Strømman, Anders Hammer

    2016-02-02

    Emission metrics aggregate climate impacts of greenhouse gases to common units such as CO2-equivalents (CO2-eq.). Examples include the global warming potential (GWP), the global temperature change potential (GTP) and the absolute sustained emission temperature (aSET). Despite the importance of biomass as a primary energy supplier in existing and future scenarios, emission metrics for CO2 from forest bioenergy are only available on a case-specific basis. Here, we produce global spatially explicit emission metrics for CO2 emissions from forest bioenergy and illustrate their applications to global emissions in 2015 and until 2100 under the RCP8.5 scenario. We obtain global average values of 0.49 ± 0.03 kgCO2-eq. kgCO2(-1) (mean ± standard deviation) for GWP, 0.05 ± 0.05 kgCO2-eq. kgCO2(-1) for GTP, and 2.14·10(-14) ± 0.11·10(-14) °C (kg yr(-1))(-1) for aSET. We explore metric dependencies on temperature, precipitation, biomass turnover times and extraction rates of forest residues. We find relatively high emission metrics with low precipitation, long rotation times and low residue extraction rates. Our results provide a basis for assessing CO2 emissions from forest bioenergy under different indicators and across various spatial and temporal scales.

  13. Should definitions for mental disorders include explicit theoretical elements?

    PubMed

    Adan-Manes, Jaime; Ramos-Gorostiza, Pablo

    2014-01-01

    In this article we argue that mental disorders have come to be defined according to a descriptive theory of meaning. In other words, mental disorders are defined according to superficial descriptive criteria that count as necessary and sufficient criteria for the inclusion of a particular instance under its corresponding class. These descriptive criteria are allegedly theory independent, leading to the assumption that psychiatric symptoms are directly identified in an object-like fashion. Against this view, we hold that a descriptive theory of meaning is unable to offer a proper account of the meaning of mental disorders both due to its own internal limitations and to the specific nature of psychiatric phenomena. Due to the hermeneutic structure of psychiatric practice, we argue that the identification and description of mental symptoms and disorders unavoidably depends on (frequently unacknowledged) theoretical assumptions. Since there is no global consensus regarding these theoretical commitments, and due to the fact that these significantly affect the final picture we hold with respect to each mental disorder, we believe that these commitments should be explicitly stated both in diagnostic argumentation and in theoretical discussions in order to maximise self- and mutual understanding. PMID:24008342

  14. Compensatory heterogeneity in spatially explicit capture-recapture data.

    PubMed

    Efford, M G; Mowat, G

    2014-05-01

    Spatially explicit capture-recapture methods, used widely to estimate the abundance of large carnivores, allow for movement within home ranges during sampling. Probability of detection is a decreasing function of distance from the home range center, with one parameter for magnitude and another for spatial scale. Sex-based and other differences in home range size potentially cause heterogeneity in individual detection and bias in estimates of density. The two parameters of detection have hitherto been treated as independent, but we suggest that an inverse relation is expected when detection probability depends on time spent near the detector. Variation in the spatial scale of detection is then compensated by reciprocal variation in the magnitude parameter. We define a net measure of detection ("single-detector sampling area," a(0)), and show by simulation that its coefficient of variation (CV) is a better predictor of bias than the CV of either component or the sum of their squared CVs. In an example using the grizzly bear Ursus arctos, the estimated sex variation in a(0) was small despite large variation in each component. From the simulations, the relative bias of density estimates was generally negligible (< 5%) when CV(a(0)) < 30%. Parameterization of the detection model in terms of a(0) and spatial scale can be more parsimonious and significantly aids the biological interpretation of detection parameters.

  15. The parastatistics Fock space and explicit Lie superalgebra representations

    NASA Astrophysics Data System (ADS)

    Stoilova, N. I.

    2013-11-01

    It is known that the defining triple relations of m pairs of parafermion operators f_i^+/- and n pairs of paraboson operators b_j^+/- with relative parafermion relations can be considered as defining relations for the Lie superalgebra \\mathfrak {osp}(2m+1|2n) in terms of 2(m + n) generators. With the common hermiticity conditions, this means that the parastatistics Fock space of order p corresponds to an infinite-dimensional unitary irreducible representation V(p) of \\mathfrak {osp}(2m+1|2n), with lowest weight (-\\frac{p}{2},\\ldots ,- \\frac{p}{2}|\\frac{p}{2},\\ldots ,\\frac{p}{2}). These representations (also in the simplest case m = n = 1) had never been constructed due to computational difficulties, despite their importance. In the present paper we partially solve the problem in the general case using group theoretical techniques, in which the \\mathfrak {u}(m|n) subalgebra of \\mathfrak {osp}(2m+1|2n) plays a crucial role: a set of Gelfand-Zetlin patterns of \\mathfrak {u}(m|n) can be used to label the basis vectors of V(p). An explicit and elegant construction of these representations V(p) for m = n = 1, and the actions or matrix elements of the \\mathfrak {osp}(3|2) generators are given.

  16. Compensatory heterogeneity in spatially explicit capture-recapture data.

    PubMed

    Efford, M G; Mowat, G

    2014-05-01

    Spatially explicit capture-recapture methods, used widely to estimate the abundance of large carnivores, allow for movement within home ranges during sampling. Probability of detection is a decreasing function of distance from the home range center, with one parameter for magnitude and another for spatial scale. Sex-based and other differences in home range size potentially cause heterogeneity in individual detection and bias in estimates of density. The two parameters of detection have hitherto been treated as independent, but we suggest that an inverse relation is expected when detection probability depends on time spent near the detector. Variation in the spatial scale of detection is then compensated by reciprocal variation in the magnitude parameter. We define a net measure of detection ("single-detector sampling area," a(0)), and show by simulation that its coefficient of variation (CV) is a better predictor of bias than the CV of either component or the sum of their squared CVs. In an example using the grizzly bear Ursus arctos, the estimated sex variation in a(0) was small despite large variation in each component. From the simulations, the relative bias of density estimates was generally negligible (< 5%) when CV(a(0)) < 30%. Parameterization of the detection model in terms of a(0) and spatial scale can be more parsimonious and significantly aids the biological interpretation of detection parameters. PMID:25000765

  17. Differential developmental profiles of adolescents using sexually explicit internet material.

    PubMed

    Doornwaard, Suzan M; van den Eijnden, Regina J J M; Overbeek, Geertjan; ter Bogt, Tom F M

    2015-01-01

    This study used a person-centered approach to examine whether different developmental trajectories of boys' and girls' use of sexually explicit Internet material (SEIM) exist, which factors predict these trajectories, and whether sexual behavior develops differently for adolescents in these trajectories. A combination of latent class growth analysis on SEIM use and latent growth curve analysis on sexual behavior was used on four-wave longitudinal data of 787 eighth through tenth grade Dutch adolescents. Among boys, four SEIM use trajectories were identified, which were labeled Nonuse/Infrequent Use, Strongly Increasing Use, Occasional Use, and Decreasing Use. Among girls, a large Stable Nonuse/Infrequent Use and smaller Strongly Increasing Use and Stable Occasional Use trajectories were distinguished. Higher initial levels and/or stronger increases in SEIM use were predicted by demographic, social contextual, personal, and media use characteristics, including a stronger sexual interest, a higher degree of perceived realism regarding sexualized Internet content, and more permissive sexual attitudes. Moreover, initial levels of and, to some extent, developmental changes in sexual behavior varied for boys and girls in the different SEIM use trajectories. Whereas some adolescents showed concurrent low levels, or parallel strong increases in SEIM use and sexual behavior, a subgroup of boys decreased their SEIM use while increasing their sexual behavior.

  18. Are implicit and explicit motive measures statistically independent? A fair and balanced test using the picture story exercise and a cue- and response-matched questionnaire measure.

    PubMed

    Schultheiss, Oliver C; Yankova, Diana; Dirlikov, Benjamin; Schad, Daniel J

    2009-01-01

    Previous studies that have examined the relationship between implicit and explicit motive measures have consistently found little variance overlap between both types of measures regardless of thematic content domain (i.e., power, achievement, affiliation). However, this independence may be artifactual because the primary means of measuring implicit motives--content-coding stories people write about picture cues--are incommensurable with the primary means of measuring explicit motives: having individuals fill out self-report scales. To provide a better test of the presumed independence between both types of measures, we measured implicit motives with a Picture Story Exercise (PSE; McClelland, Koestner, & Weinberger, 1989) and explicit motives with a cue- and response-matched questionnaire version of the PSE (PSE-Q) and a traditional measure of explicit motives, the Personality Research Form (PRF; Jackson, 1984) in 190 research participants. Correlations between the PSE and the PSE-Q were small and mostly nonsignificant, whereas the PSE-Q showed significant variance overlap with the PRF within and across thematic domains. We conclude that the independence postulate holds even when more commensurable measures of implicit and explicit motives are used.

  19. Providing Explicit Information Disrupts Implicit Motor Learning After Basal Ganglia Stroke

    PubMed Central

    Boyd, Lara A.; Winstein, Carolee J.

    2004-01-01

    Despite their purported neuroanatomic and functional isolation, empirical evidence suggests that sometimes conscious explicit processes can influence implicit motor skill learning. Our goal was to determine if the provision of explicit information affected implicit motor-sequence learning after damage to the basal ganglia. Individuals with stroke affecting the basal ganglia (BG) and healthy controls (HC) practiced a continuous implicit motor-sequencing task; half were provided with explicit information (EI) and half were not (No-EI). The focus of brain damage for both BG groups was in the putamen. All of the EI participants were at least explicitly aware of the repeating sequence. Across three days of practice, explicit information had a differential effect on the groups. Explicit information disrupted acquisition performance in participants with basal ganglia stroke but not healthy controls. By retention (day 4), a dissociation was apparent—explicit information hindered implicit learning in participants with basal ganglia lesions but aided healthy controls. It appears that after basal ganglia stroke explicit information is less helpful in the development of the motor plan than is discovering a motor solution using the implicit system alone. This may be due to the increased demand placed on working memory by explicit information. Thus, basal ganglia integrity may be a crucial factor in determining the efficacy of explicit information for implicit motor-sequence learning. PMID:15286181

  20. Playful Explicitness with Grammar: A Pedagogy for Writing

    ERIC Educational Resources Information Center

    Myhill, Debra; Jones, Susan; Watson, Annabel; Lines, Helen

    2013-01-01

    The place of grammar within the teaching of writing has long been contested and successive research studies have indicated no correlation between grammar teaching and writing attainment. However, a recent study has shown a significant positive impact on writing outcomes when the grammar input is intrinsically linked to the demands of the writing…

  1. Nonglobal correlations in collider physics

    DOE PAGES

    Moult, Ian; Larkoski, Andrew J.

    2016-01-13

    Despite their importance for precision QCD calculations, correlations between in- and out-of-jet regions of phase space have never directly been observed. These so-called non-global effects are present generically whenever a collider physics measurement is not explicitly dependent on radiation throughout the entire phase space. In this paper, we introduce a novel procedure based on mutual information, which allows us to isolate these non-global correlations between measurements made in different regions of phase space. We study this procedure both analytically and in Monte Carlo simulations in the context of observables measured on hadronic final states produced in e+e- collisions, though itmore » is more widely applicable.The procedure exploits the sensitivity of soft radiation at large angles to non-global correlations, and we calculate these correlations through next-to-leading logarithmic accuracy. The bulk of these non-global correlations are found to be described in Monte Carlo simulation. They increase by the inclusion of non-perturbative effects, which we show can be incorporated in our calculation through the use of a model shape function. As a result, this procedure illuminates the source of non-global correlations and has connections more broadly to fundamental quantities in quantum field theory.« less

  2. Landscape equivalency analysis: methodology for estimating spatially explicit biodiversity credits.

    PubMed

    Bruggeman, Douglas J; Jones, Michael L; Lupi, Frank; Scribner, Kim T

    2005-10-01

    We propose a biodiversity credit system for trading endangered species habitat designed to minimize and reverse the negative effects of habitat loss and fragmentation, the leading cause of species endangerment in the United States. Given the increasing demand for land, approaches that explicitly balance economic goals against conservation goals are required. The Endangered Species Act balances these conflicts based on the cost to replace habitat. Conservation banking is a means to manage this balance, and we argue for its use to mitigate the effects of habitat fragmentation. Mitigating the effects of land development on biodiversity requires decisions that recognize regional ecological effects resulting from local economic decisions. We propose Landscape Equivalency Analysis (LEA), a landscape-scale approach similar to HEA, as an accounting system to calculate conservation banking credits so that habitat trades do not exacerbate regional ecological effects of local decisions. Credits purchased by public agencies or NGOs for purposes other than mitigating a take create a net investment in natural capital leading to habitat defragmentation. Credits calculated by LEA use metapopulation genetic theory to estimate sustainability criteria against which all trades are judged. The approach is rooted in well-accepted ecological, evolutionary, and economic theory, which helps compensate for the degree of uncertainty regarding the effects of habitat loss and fragmentation on endangered species. LEA requires application of greater scientific rigor than typically applied to endangered species management on private lands but provides an objective, conceptually sound basis for achieving the often conflicting goals of economic efficiency and long-term ecological sustainability. PMID:16132443

  3. An explicit kinematic scenario for the Iapetus and Rheic Oceans

    NASA Astrophysics Data System (ADS)

    Domeier, Mat; Torsvik, Trond

    2015-04-01

    The opening of the Rheic Ocean by the rifting of Avalonia, and the subsequent closure of the Iapetus Ocean by means of the three-way continental collision between Laurentia, Baltica and Avalonia, together constitute the most dramatic, defining and well-studied tectonic events of the early Paleozoic. Despite this, modern kinematic models of those interrelated events are still schematic and/or spatiotemporally disjointed. This is in large part due to the fact that: 1.) many of the available models were originally built to explain a specific region (i.e. Northern Appalachians, Northern Ireland and Scotland, Norwegian Caledonides, etc.) and have only been expanded to neighboring regions as a speculative note, and 2.) the models were not constructed upon a rigorous plate tectonic framework, wherein plate boundaries are specified and the kinematics of the entire lithosphere within the domain are explicitly defined through time. Although the lithosphere of the Iapetus and Rheic Oceans was long ago destroyed, the kinematics of those basins can still be surmised through the careful consideration of paleomagnetic data from the continents and terranes formerly flanking those oceans, and from geological observables along their margins. It is thus possible to explore the tectonic evolution of those basins with kinematic models that strictly conform to plate tectonic rules, both in space and time. Such an approach can plainly identify existing kinematic concepts that are tectonically untenable and those that work only in isolation. Here we briefly elaborate on this approach and present the results of a developing full-plate model of the Iapetus and Rheic Oceans for Late Cambrian to end-Silurian time, with a particular focus on the development of the Caledonide margins.

  4. Large-eddy simulations with a dynamic explicit vegetation model

    NASA Astrophysics Data System (ADS)

    Bohrer, G.; Maurer, K.; Chatziefstratiou, E.; Medvigy, D.

    2014-12-01

    We coupled the Regional Atmospheric Modeling System (RAMS)-based Forest Large-Eddy Simulation (RAFLES) and a modified version of the Ecosystem Demography model version 2 (ED2) to form a dynamic, high resolution, physiologically driven large eddy simulation. RAFLES represents both drag and volume restriction by the canopy over an explicit 3-D domain. We conducted a sensitivity analysis of uplift and circulation patterns at the front and back of a rectangular barrier to the representation of the canopy volume. We then used this model to perform a virtual experiment using combinations of realistic heterogeneous canopies and virtual homogenous canopies combined with heterogeneous and homogenous patterns of soil moisture to test the effects of the spatial scaling of soil moisture on the fluxes of momentum, heat, and water in heterogeneous environments at the tree-crown scale. Further simulations were performed to test the combined effects of canopy structure, soil moisture heterogeneity, and soil water availability. We found flux dynamics of momentum, heat, and water to be significantly influenced by canopy structure, soil moisture heterogeneity, and soil water availability. During non-plant-limiting soil-water conditions, we found canopy structure to be the primary driver of tree-crown scale fluxes of momentum, heat, and water, specifically through modification of the ejection sweep dynamics. However, as soil water conditions became limiting for latent heat flux from plants, tree-crown scale fluxes of momentum and heat became influenced by the spatial pattern of soil moisture, whereas soil moisture became a significant driver of tree-crown scale fluxes of water along with canopy structure.

  5. Quantum mechanical force field for water with explicit electronic polarization

    PubMed Central

    Han, Jaebeom; Mazack, Michael J. M.; Zhang, Peng; Truhlar, Donald G.; Gao, Jiali

    2013-01-01

    A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 106 self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across

  6. Global spatially explicit CO2 emission metrics for forest bioenergy

    PubMed Central

    Cherubini, Francesco; Huijbregts, Mark; Kindermann, Georg; Van Zelm, Rosalie; Van Der Velde, Marijn; Stadler, Konstantin; Strømman, Anders Hammer

    2016-01-01

    Emission metrics aggregate climate impacts of greenhouse gases to common units such as CO2-equivalents (CO2-eq.). Examples include the global warming potential (GWP), the global temperature change potential (GTP) and the absolute sustained emission temperature (aSET). Despite the importance of biomass as a primary energy supplier in existing and future scenarios, emission metrics for CO2 from forest bioenergy are only available on a case-specific basis. Here, we produce global spatially explicit emission metrics for CO2 emissions from forest bioenergy and illustrate their applications to global emissions in 2015 and until 2100 under the RCP8.5 scenario. We obtain global average values of 0.49 ± 0.03 kgCO2-eq. kgCO2−1 (mean ± standard deviation) for GWP, 0.05 ± 0.05 kgCO2-eq. kgCO2−1 for GTP, and 2.14·10−14 ± 0.11·10−14 °C (kg yr−1)−1 for aSET. We explore metric dependencies on temperature, precipitation, biomass turnover times and extraction rates of forest residues. We find relatively high emission metrics with low precipitation, long rotation times and low residue extraction rates. Our results provide a basis for assessing CO2 emissions from forest bioenergy under different indicators and across various spatial and temporal scales. PMID:26830755

  7. Global spatially explicit CO2 emission metrics for forest bioenergy.

    PubMed

    Cherubini, Francesco; Huijbregts, Mark; Kindermann, Georg; Van Zelm, Rosalie; Van Der Velde, Marijn; Stadler, Konstantin; Strømman, Anders Hammer

    2016-01-01

    Emission metrics aggregate climate impacts of greenhouse gases to common units such as CO2-equivalents (CO2-eq.). Examples include the global warming potential (GWP), the global temperature change potential (GTP) and the absolute sustained emission temperature (aSET). Despite the importance of biomass as a primary energy supplier in existing and future scenarios, emission metrics for CO2 from forest bioenergy are only available on a case-specific basis. Here, we produce global spatially explicit emission metrics for CO2 emissions from forest bioenergy and illustrate their applications to global emissions in 2015 and until 2100 under the RCP8.5 scenario. We obtain global average values of 0.49 ± 0.03 kgCO2-eq. kgCO2(-1) (mean ± standard deviation) for GWP, 0.05 ± 0.05 kgCO2-eq. kgCO2(-1) for GTP, and 2.14·10(-14) ± 0.11·10(-14) °C (kg yr(-1))(-1) for aSET. We explore metric dependencies on temperature, precipitation, biomass turnover times and extraction rates of forest residues. We find relatively high emission metrics with low precipitation, long rotation times and low residue extraction rates. Our results provide a basis for assessing CO2 emissions from forest bioenergy under different indicators and across various spatial and temporal scales. PMID:26830755

  8. Quantum mechanical force field for water with explicit electronic polarization.

    PubMed

    Han, Jaebeom; Mazack, Michael J M; Zhang, Peng; Truhlar, Donald G; Gao, Jiali

    2013-08-01

    A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 10(6) self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across

  9. DYNA3D. Explicit 3-d Hydrodynamic FEM Program

    SciTech Connect

    Whirley, R.G.; Englemann, B.E. )

    1993-11-30

    DYNA3D is an explicit, three-dimensional, finite element program for analyzing the large deformation dynamic response of inelastic solids and structures. DYNA3D contains 30 material models and 10 equations of state (EOS) to cover a wide range of material behavior. The material models implemented are: elastic, orthotropic elastic, kinematic/isotropic plasticity, thermoelastoplastic, soil and crushable foam, linear viscoelastic, Blatz-Ko rubber, high explosive burn, hydrodynamic without deviatoric stresses, elastoplastic hydrodynamic, temperature-dependent elastoplastic, isotropic elastoplastic, isotropic elastoplastic with failure, soil and crushable foam with failure, Johnson/Cook plasticity model, pseudo TENSOR geological model, elastoplastic with fracture, power law isotropic plasticity, strain rate dependent plasticity, rigid, thermal orthotropic, composite damage model, thermal orthotropic with 12 curves, piecewise linear isotropic plasticity, inviscid two invariant geologic cap, orthotropic crushable model, Moonsy-Rivlin rubber, resultant plasticity, closed form update shell plasticity, and Frazer-Nash rubber model. The hydrodynamic material models determine only the deviatoric stresses. Pressure is determined by one of 10 equations of state including linear polynomial, JWL high explosive, Sack Tuesday high explosive, Gruneisen, ratio of polynomials, linear polynomial with energy deposition, ignition and growth of reaction in HE, tabulated compaction, tabulated, and TENSOR pore collapse. DYNA3D generates three binary output databases. One contains information for complete states at infrequent intervals; 50 to 100 states is typical. The second contains information for a subset of nodes and elements at frequent intervals; 1,000 to 10,000 states is typical. The last contains interface data for contact surfaces.

  10. Understanding implicit and explicit attitude change: a systems of reasoning analysis.

    PubMed

    Rydell, Robert J; McConnell, Allen R

    2006-12-01

    There is considerable controversy about how to conceptualize implicit and explicit attitudes, reflecting substantial speculation about the mechanisms involved in implicit and explicit attitude formation and change. To investigate this issue, the current work examines the processes by which new attitudes are formed and changed and how these attitudes predict behavior. Five experiments support a systems of reasoning approach to implicit and explicit attitude change. Specifically, explicit attitudes were shaped in a manner consistent with fast-changing processes, were affected by explicit processing goals, and uniquely predicted more deliberate behavioral intentions. Conversely, implicit attitudes reflected an associative system characterized by a slower process of repeated pairings between an attitude object and related evaluations, were unaffected by explicit processing goals, uniquely predicted spontaneous behaviors, and were exclusively affected by associative information about the attitude object that was not available for higher order cognition.

  11. Predicting behaviour towards genetically modified food using implicit and explicit attitudes.

    PubMed

    Spence, Alexa; Townsend, Ellen

    2007-06-01

    The predictive validity of implicit and explicit attitudes is a central question in social psychological research with important theoretical and empirical ramifications. Three main patterns of combining implicit and explicit attitudes to predict behaviour have been postulated. They are, double dissociation (in which implicit and explicit attitudes predict spontaneous and deliberate behaviour respectively), additive (in which implicit and explicit attitudes both predict variance in behaviour) and interactive (in which implicit and explicit attitudes combine to predict behaviour). These models were tested in this study using a structural equation modelling approach utilising three different measures of behaviour (of varying spontaneity) towards genetically modified (GM) food. The additive pattern, in which implicit and explicit attitudes both predict variance in behaviour, was found to best fit the data. In addition, all behaviour measures indicated that the majority of participants were willing to try GM food in some situations.

  12. Attitudinal effects of degrading themes and sexual explicitness in video materials.

    PubMed

    Golde, J A; Strassberg, D S; Turner, C M; Lowe, K

    2000-07-01

    This study examined the independent and interactive effects of sexual explicitness and degrading themes toward women on mens' attitudes following exposure to video presentations of male-female interactions. Subjects were 83 male college students who viewed video vignettes under one of four stimulus conditions: (a) sexually explicit/degrading, (b) sexually explicit/nondegrading, (c) nonexplicit/degrading, and (d) nonexplicit/nondegrading. Results revealed that men exposed to degrading material, regardless of explicitness, were significantly more likely to express attitudes supportive of rape, while explicitness had no significant main or interactive effect on these attitudes. Further, the interaction of explicitness with degradation was found to impact scores on a measure of sexual callousness. Theoretical and clinical implications of these findings are discussed.

  13. Attitudinal effects of degrading themes and sexual explicitness in video materials.

    PubMed

    Golde, J A; Strassberg, D S; Turner, C M; Lowe, K

    2000-07-01

    This study examined the independent and interactive effects of sexual explicitness and degrading themes toward women on mens' attitudes following exposure to video presentations of male-female interactions. Subjects were 83 male college students who viewed video vignettes under one of four stimulus conditions: (a) sexually explicit/degrading, (b) sexually explicit/nondegrading, (c) nonexplicit/degrading, and (d) nonexplicit/nondegrading. Results revealed that men exposed to degrading material, regardless of explicitness, were significantly more likely to express attitudes supportive of rape, while explicitness had no significant main or interactive effect on these attitudes. Further, the interaction of explicitness with degradation was found to impact scores on a measure of sexual callousness. Theoretical and clinical implications of these findings are discussed. PMID:10904993

  14. Correlative Tomography

    PubMed Central

    Burnett, T. L.; McDonald, S. A.; Gholinia, A.; Geurts, R.; Janus, M.; Slater, T.; Haigh, S. J.; Ornek, C.; Almuaili, F.; Engelberg, D. L.; Thompson, G. E.; Withers, P. J.

    2014-01-01

    Increasingly researchers are looking to bring together perspectives across multiple scales, or to combine insights from different techniques, for the same region of interest. To this end, correlative microscopy has already yielded substantial new insights in two dimensions (2D). Here we develop correlative tomography where the correlative task is somewhat more challenging because the volume of interest is typically hidden beneath the sample surface. We have threaded together x-ray computed tomography, serial section FIB-SEM tomography, electron backscatter diffraction and finally TEM elemental analysis all for the same 3D region. This has allowed observation of the competition between pitting corrosion and intergranular corrosion at multiple scales revealing the structural hierarchy, crystallography and chemistry of veiled corrosion pits in stainless steel. With automated correlative workflows and co-visualization of the multi-scale or multi-modal datasets the technique promises to provide insights across biological, geological and materials science that are impossible using either individual or multiple uncorrelated techniques. PMID:24736640

  15. Correlative Tomography

    NASA Astrophysics Data System (ADS)

    Burnett, T. L.; McDonald, S. A.; Gholinia, A.; Geurts, R.; Janus, M.; Slater, T.; Haigh, S. J.; Ornek, C.; Almuaili, F.; Engelberg, D. L.; Thompson, G. E.; Withers, P. J.

    2014-04-01

    Increasingly researchers are looking to bring together perspectives across multiple scales, or to combine insights from different techniques, for the same region of interest. To this end, correlative microscopy has already yielded substantial new insights in two dimensions (2D). Here we develop correlative tomography where the correlative task is somewhat more challenging because the volume of interest is typically hidden beneath the sample surface. We have threaded together x-ray computed tomography, serial section FIB-SEM tomography, electron backscatter diffraction and finally TEM elemental analysis all for the same 3D region. This has allowed observation of the competition between pitting corrosion and intergranular corrosion at multiple scales revealing the structural hierarchy, crystallography and chemistry of veiled corrosion pits in stainless steel. With automated correlative workflows and co-visualization of the multi-scale or multi-modal datasets the technique promises to provide insights across biological, geological and materials science that are impossible using either individual or multiple uncorrelated techniques.

  16. The effect of implicit and explicit practice in the development of decision making in volleyball serving.

    PubMed

    Lola, Afrodite C; Tzetzis, George C; Zetou, Helen

    2012-04-01

    This experiment investigated the effect of explicit, implicit, and sequential learning (implicit-explicit) on the acquisition and retention of decision-making skill in volleyball. The participants were 60 female novices, ages 10 to 12 years. The experimental groups followed three different methods of training: (a) explicit practice for the development of declarative knowledge, (b) implicit practice for the development of the procedural knowledge, (c) sequential practice (implicit first and then explicit), and (d) control group that participated only in the measurements. A pre-test, a post-test, and a retention test measured the response time and accuracy of the decision-making skill. Analysis indicated that all experimental groups improved over time while the control group did not. The sequential group was faster and more accurate than the implicit group, and the latter was faster and more accurate than the explicit one. The sequential group outperformed implicit and explicit groups on both speed and accuracy of decision. It seems that both explicit and implicit processes, when they take place in sequence, interact positively, and this method improves speed and accuracy of decision making rather than when each mode of learning (implicit or explicit) occurs separately. If the role of working memory is reduced at the early stages of learning, the accumulation of declarative knowledge (explicit learning) may benefit from accumulation of procedural knowledge and enhance decision-making skill. PMID:22755467

  17. Height inspection of wafer bumps without explicit 3D reconstruction

    NASA Astrophysics Data System (ADS)

    Dong, Mei; Chung, Ronald; Zhao, Yang; Lam, Edmund Y.

    2006-02-01

    The shrunk dimension of electronic devices leads to more stringent requirement on process control and quality assurance of their fabrication. For instance, direct die-to-die bonding requires placement of solder bumps not on PCB but on the wafer itself. Such wafer solder bumps, which are much miniaturized from the counterparts on PCB, still need to have their heights meet the specification, or else the electrical connection could be compromised, or the dies be crushed, or even the manufacturing equipments be damaged. Yet the tiny size, typically tens of microns in diameter, and the textureless and mirror nature of the bumps pose great challenge to the 3D inspection process. This paper addresses how a large number of such wafer bumps could have their heights massively checked against the specification. We assume ball bumps in this work. We propose a novel inspection measure about the collection of bump heights that possesses these advantages: (1) it is sensitive to global and local disturbances to the bump heights, thus serving the bump height inspection purpose; (2) it is invariant to how individual bumps are locally displaced against one another on the substrate surface, thus enduring 2D displacement error in soldering the bumps onto the wafer substrate; and (3) it is largely invariant to how the wafer itself is globally positioned relative to the imaging system, thus having tolerance to repeatability error in wafer placement. This measure makes use of the mirror nature of the bumps, which used to cause difficulty in traditional inspection methods, to capture images of two planes. One contains the bump peaks and the other corresponds to the substrate. With the homography matrices of these two planes and fundamental matrix of the camera, we synthesize a matrix called Biplanar Disparity Matrix. This matrix can summarize the bumps' heights in a fast and direct way without going through explicit 3D reconstruction. We also present a design of the imaging and

  18. Explicit argumentation instruction to facilitate conceptual understanding and argumentation skills

    NASA Astrophysics Data System (ADS)

    Seda Cetin, Pinar

    2014-01-01

    Background: Argumentation is accepted by many science educators as a major component of science education. Many studies have investigated students' conceptual understanding and their engagement in argumentative activities. However, studies conducted in the subject of chemistry are very rare. Purpose: The present study aimed to investigate the effects of argumentation-based chemistry lessons on pre-service science teachers' understanding of reaction rate concepts, their quality of argumentation, and their consideration of specific reaction rate concepts in constructing an argument. Moreover, students' perceptions of argumentation lessons were explored. Sample: There were 116 participants (21 male and 95 female), who were pre-service first-grade science teachers from a public university. The participants were recruited from the two intact classes of a General Chemistry II course, both of which were taught by the same instructor. Design and methods: In the present study, non-equivalent control group design was used as a part of quasi-experimental design. The experimental group was taught using explicit argumentation activities, and the control group was instructed using traditional instruction. The data were collected using a reaction rate concept test, a pre-service teachers' survey, and the participants' perceptions of the argumentation lessons questionnaire. For the data analysis, the Wilcoxon Signed Rank Test, the Mann-Whitney U-test and qualitative techniques were used. Results: The results of the study indicated that an argumentation-based intervention caused significantly better acquisition of scientific reaction rate-related concepts and positively impacted the structure and complexity of pre-service teachers' argumentation. Moreover, the majority of the participants reported positive feelings toward argumentation activities. Conclusions: As students are encouraged to state and support their view in the chemistry classroom when studying reaction rate, it was

  19. Spatially-Explicit Holocene Drought Reconstructions in Amazonian Forests

    NASA Astrophysics Data System (ADS)

    McMichael, C.; Bush, M. B.

    2014-12-01

    Climate models predict increasing drought in Amazonian forests over the next century, and the synergy of drought and fire may lead to forest dieback. El Niño Southern Oscillation (ENSO) and the Atlantic Multi-decadal Oscillation (AMO) are two primary drivers of Amazonian drought, and each process has a spatially distinct manifestation in the Basin. Paleoecological reconstructions can contextualize the forest response to past drought periods. Stalagmite and lake sediment records have documented that the early- to mid-Holocene, i.e. 10,000 - 5000 calibrated years before present (cal yr BP), was among the driest periods of the last 100,000 years in western Amazonia. Climatic conditions became wetter and more similar to the modern climate over the last 4000 cal yr BP, and fires rarely occurred in the absence of human activity. Yet there are currently no drought and fire reconstructions that examine the spatially explicit patterns of drought during the Holocene. Here, we present regional drought histories from southwestern and northeastern sections Amazonia for the last 10,000 years that document the drought-fire dynamics resulting from both climatic processes. Our reconstructions were based on a compilation of dated soil charcoal fragments (N= 291) collected from within Amazonia sensu stricto, which were analyzed by region using summed probability analysis. The compiled soil charcoal dates contained limited evidence of fire over the last 10,000 years in some regions. Fire frequency rose markedly across the Basin, however, during the last 2000 years, indicating an increased human presence. Fire probabilities, and thus droughts, had similar increasing trajectories between southwestern and northeastern Amazonia from 1500-1100 cal yr BP, which decoupled from 1100-740 cal yr BP, and then regained synchronicity from 740-500 cal yr BP. Fire probability declined markedly after 500 yr cal BP, coincident with European arrival to the Americas. Native populations were decimated

  20. Neural correlates of HIV risk feelings

    PubMed Central

    Schmälzle, Ralf; Renner, Britta; Schupp, Harald T.

    2015-01-01

    Field studies on HIV risk perception suggest that people rely on impressions they have about the safety of their partner. The present fMRI study investigated the neural correlates of the intuitive perception of risk. First, during an implicit condition, participants viewed a series of unacquainted persons and performed a task unrelated to HIV risk. In the following explicit condition, participants evaluated the HIV risk for each presented person. Contrasting responses for high and low HIV risk revealed that risky stimuli evoked enhanced activity in the anterior insula and medial prefrontal regions, which are involved in salience processing and frequently activated by threatening and negative affect-related stimuli. Importantly, neural regions responding to explicit HIV risk judgments were also enhanced in the implicit condition, suggesting a neural mechanism for intuitive impressions of riskiness. Overall, these findings suggest the saliency network as neural correlate for the intuitive sensing of risk. PMID:24982263

  1. Neural correlates of HIV risk feelings.

    PubMed

    Häcker, Frank E K; Schmälzle, Ralf; Renner, Britta; Schupp, Harald T

    2015-04-01

    Field studies on HIV risk perception suggest that people rely on impressions they have about the safety of their partner. The present fMRI study investigated the neural correlates of the intuitive perception of risk. First, during an implicit condition, participants viewed a series of unacquainted persons and performed a task unrelated to HIV risk. In the following explicit condition, participants evaluated the HIV risk for each presented person. Contrasting responses for high and low HIV risk revealed that risky stimuli evoked enhanced activity in the anterior insula and medial prefrontal regions, which are involved in salience processing and frequently activated by threatening and negative affect-related stimuli. Importantly, neural regions responding to explicit HIV risk judgments were also enhanced in the implicit condition, suggesting a neural mechanism for intuitive impressions of riskiness. Overall, these findings suggest the saliency network as neural correlate for the intuitive sensing of risk.

  2. Explicit Nonlinear Finite Element Geometric Analysis of Parabolic Leaf Springs under Various Loads

    PubMed Central

    Kong, Y. S.; Omar, M. Z.; Chua, L. B.; Abdullah, S.

    2013-01-01

    This study describes the effects of bounce, brake, and roll behavior of a bus toward its leaf spring suspension systems. Parabolic leaf springs are designed based on vertical deflection and stress; however, loads are practically derived from various modes especially under harsh road drives or emergency braking. Parabolic leaf springs must sustain these loads without failing to ensure bus and passenger safety. In this study, the explicit nonlinear dynamic finite element (FE) method is implemented because of the complexity of experimental testing A series of load cases; namely, vertical push, wind-up, and suspension roll are introduced for the simulations. The vertical stiffness of the parabolic leaf springs is related to the vehicle load-carrying capability, whereas the wind-up stiffness is associated with vehicle braking. The roll stiffness of the parabolic leaf springs is correlated with the vehicle roll stability. To obtain a better bus performance, two new parabolic leaf spring designs are proposed and simulated. The stress level during the loadings is observed and compared with its design limit. Results indicate that the newly designed high vertical stiffness parabolic spring provides the bus a greater roll stability and a lower stress value compared with the original design. Bus safety and stability is promoted, as well as the load carrying capability. PMID:24298209

  3. Production of stream habitat gradients by montane watersheds: Hypothesis tests based on spatially explicit path analyses

    USGS Publications Warehouse

    Isaak, D.J.; Hubert, W.A.

    2001-01-01

    We studied how the features of mountain watersheds interact to cause gradients in three stream attributes: baseflow stream widths, total alkalinity, and stream slope. A priori hypotheses were developed before being tested in a series of path analyses using data from 90 stream reaches on 24 second- to fourth-order streams across a fifth-order Rocky Mountain watershed. Because most of the conventional least squares regressions initially calculated for the path analyses had spatially correlated residuals (13 of 15 regressions), spatially explicit regressions were often used to derive more accurate parameter estimates and significance tests. Our final working hypotheses accounted for most of the variation in baseflow stream width (73%), total alkalinity (74%), and stream slope (78%) and provide systemic views of watershed function by depicting interactions that occur between geomorphology, land surface features, and stream attributes. Stream gradients originated mainly from the unidirectional changes in geomorphic features that occur over the lengths of streams. Land surface features were of secondary importance and, because they change less predictably relative to the stream, appear to modify the rate at which stream gradients change.

  4. Explicit nonlinear finite element geometric analysis of parabolic leaf springs under various loads.

    PubMed

    Kong, Y S; Omar, M Z; Chua, L B; Abdullah, S

    2013-01-01

    This study describes the effects of bounce, brake, and roll behavior of a bus toward its leaf spring suspension systems. Parabolic leaf springs are designed based on vertical deflection and stress; however, loads are practically derived from various modes especially under harsh road drives or emergency braking. Parabolic leaf springs must sustain these loads without failing to ensure bus and passenger safety. In this study, the explicit nonlinear dynamic finite element (FE) method is implemented because of the complexity of experimental testing A series of load cases; namely, vertical push, wind-up, and suspension roll are introduced for the simulations. The vertical stiffness of the parabolic leaf springs is related to the vehicle load-carrying capability, whereas the wind-up stiffness is associated with vehicle braking. The roll stiffness of the parabolic leaf springs is correlated with the vehicle roll stability. To obtain a better bus performance, two new parabolic leaf spring designs are proposed and simulated. The stress level during the loadings is observed and compared with its design limit. Results indicate that the newly designed high vertical stiffness parabolic spring provides the bus a greater roll stability and a lower stress value compared with the original design. Bus safety and stability is promoted, as well as the load carrying capability.

  5. Explicit Consideration of Water Molecules to Study Vibrational Circular DICHROÎSM of Monosaccharide's

    NASA Astrophysics Data System (ADS)

    Moussi, Sofiane; Ouamerali, Ourida

    2014-06-01

    Carbohydrates have multiples roles in biological systems. It has been found that the glycoside bond is fundamentally important in many aspects of chemistry and biology and forms the basis of carbohydrate chemistry. That means the stereochemical information, namely, glycosidic linkages α or β, gives an significant features of the carbohydrate glycosidation position of the glycosylic acceptor. For these reasons, much effort was made for the synthesis and analysis of the glycoside bond. Vibrational circular dichroism VCD has some advantages over conventional electronic circular dichroism (ECD) due to the applicability to all organic molecules and the reliability of ab initio quantum calculation. However, for a molecule with many chiral centers such as carbohydrates, determination of the absolute configuration tends to be difficult because the information from each stereochemical center is mixed and averaged over the spectrum. In the CH stretching region, only two VCD studies on carbohydrates have been reported and spectra--structure correlation, as determined for the glycoside band, remains to be investigated. T. Taniguchi and collaborators report that methyl glycosides exhibit a characteristic VCD peak, the sign of which solely reflects the C-1 absolute configuration. This work is a theoretical contribution to study the behaviour of VCD spectrum's of the monosaccharides when the water molecules are taken explicitly. This study is focused on six different monosaccharides in theirs absolute configuration R and S. We used the method of density functional theory DFT by means of the B3LYP hybrid functional and 6-31G * basis set.

  6. Phonological mismatch and explicit cognitive processing in a sample of 102 hearing-aid users.

    PubMed

    Rudner, Mary; Foo, Catharina; Sundewall-Thorén, Elisabet; Lunner, Thomas; Rönnberg, Jerker

    2008-11-01

    Rudner et al (2008) showed that when compression release settings are manipulated in the hearing instruments of Swedish habitual users, the resulting mismatch between the phonological form of the input speech signal and representations stored in long-term memory leads to greater engagement of explicit cognitive processing under taxing listening conditions. The mismatch effect is manifest in significant correlations between performance on cognitive tests and aided-speech-recognition performance in modulated noise and/or with fast compression release settings. This effect is predicted by the ELU model (Rönnberg et al, 2008). In order to test whether the mismatch effect can be generalized across languages, we examined two sets of aided speech recognition data collected from a Danish population where two cognitive tests, reading span and letter monitoring, had been administered. A reanalysis of all three datasets, including 102 participants, demonstrated the mismatch effect. These findings suggest that the effect of phonological mismatch, as predicted by the ELU model (Rönnberg et al, this issue) and tapped by the reading span test, is a stable phenomenon across these two Scandinavian languages.

  7. Community Detection for Correlation Matrices

    NASA Astrophysics Data System (ADS)

    MacMahon, Mel; Garlaschelli, Diego

    2015-04-01

    A challenging problem in the study of complex systems is that of resolving, without prior information, the emergent, mesoscopic organization determined by groups of units whose dynamical activity is more strongly correlated internally than with the rest of the system. The existing techniques to filter correlations are not explicitly oriented towards identifying such modules and can suffer from an unavoidable information loss. A promising alternative is that of employing community detection techniques developed in network theory. Unfortunately, this approach has focused predominantly on replacing network data with correlation matrices, a procedure that we show to be intrinsically biased because of its inconsistency with the null hypotheses underlying the existing algorithms. Here, we introduce, via a consistent redefinition of null models based on random matrix theory, the appropriate correlation-based counterparts of the most popular community detection techniques. Our methods can filter out both unit-specific noise and system-wide dependencies, and the resulting communities are internally correlated and mutually anticorrelated. We also implement multiresolution and multifrequency approaches revealing hierarchically nested subcommunities with "hard" cores and "soft" peripheries. We apply our techniques to several financial time series and identify mesoscopic groups of stocks which are irreducible to a standard, sectorial taxonomy; detect "soft stocks" that alternate between communities; and discuss implications for portfolio optimization and risk management.

  8. The explicit dependence of quadrat variance on the ratio of clump size to quadrat size.

    PubMed

    Ferrandino, Francis J

    2005-05-01

    ABSTRACT In the past decade, it has become common practice to pool mapped binary epidemic data into quadrats. The resultant "quadrat counts" can then be analyzed by fitting them to a probability distribution (i.e., betabinomial). Often a binary form of Taylor's power law is used to relate the quadrat variance to the quadrat mean. The fact that there is an intrinsic dependence of such analyses on quadrat size and shape is well known. However, a clear-cut exposition of the direct connection between the spatial properties of the two-dimensional pattern of infected plants in terms of the geometry of the quadrat and the results of quadrat-based analyses is lacking. This problem was examined both empirically and analytically. The empirical approach is based on a set of stochastically generated "mock epidemics" using a Neyman-Scott cluster process. The resultant spatial point-patterns of infected plants have a fixed number of disease foci characterized by a known length scale (monodisperse) and saturated to a known disease level. When quadrat samples of these epidemics are fit to a beta-binomial distribution, the resulting measures of aggregation are totally independent of disease incidence and most strongly dependent on the ratio of the length scale of the quadrat to the length scale of spatial aggregation and to a lesser degree on disease saturation within individual foci. For the analytical approach, the mathematical form for the variation in the sum of random variates is coupled to the geometry of a quadrat through an assumed exponential autocorrelation function. The net result is an explicit equation expressing the intraquadrat correlation, quadrat variance, and the index of dispersion in terms of the ratio of the quadrat length scale to the correlative length scale.

  9. A relative humidity profile retrieval from Megha-Tropiques observations without explicit thermodynamical constraints

    NASA Astrophysics Data System (ADS)

    Sivira, R. G.; Brogniez, H.; Mallet, C.; Oussar, Y.

    2014-09-01

    A statistical method trained and optimized to retrieve relative humidity (RH) profiles is presented and evaluated with measurements from radiosoundings. The method makes use of the microwave payload of the Megha-Tropiques plateform, namely the SAPHIR sounder and the MADRAS imager. The approach, based on a Generalized Additive Model (GAM), embeds both the physical and statistical characteritics of the inverse problem in the training phase and no explicit thermodynamical constraint, such as a temperature profile or an integrated water vapor content, is provided to the model at the stage of retrieval. The model is built for cloud-free conditions in order to avoid the cases of scattering of the microwave radiation in the 18.7-183.31 GHz range covered by the payload. Two instrumental configurations are tested: a SAPHIR-MADRAS scheme and a SAPHIR-only scheme, to deal with the stop of data acquisition of MADRAS in January 2013 for technical reasons. A comparison to retrievals based on the Multi-Layer Perceptron (MLP) technique and on the Least Square-Support Vector Machines (LS-SVM) shows equivalent performance over a large realistic set, promising low errors (bias < 2.2%) and scatters (correlation > 0.8) throughout the troposphere (150-900 hPa). A comparison to radiosounding measurements performed during the international field experiment CINDY/DYNAMO/AMIE of winter 2011-2012 confirms these results for the mid-tropospheric layers (correlation between 0.6 and 0.92), with an expected degradation of the quality of the estimates at the surface and top layers. Finally a rapid insight of the large-scale RH field from Megha-Tropiques is discussed and compared to ERA-Interim.

  10. Correlation monitor materials

    SciTech Connect

    Corwin, W.R.

    1995-10-01

    This task has been established with the explicit purpose of ensuring the continued availability of the pedigreed and extremely well-characterized material now required for inclusion in all additional and future surveillance capsules in commercial light-water reactors. During this reporting period, concrete was poured and pallets storage racks were installed to provide adequate room for the storage of the correlation monitor material being transferred from its location at the Y-12 Plant to its archival storage location at ORNL. The racks came from surplus material storage at ORNL and hence were obtained at no cost to the HSSI Program. Inquiries into cost-effective means of sheltering the blocks of correlation monitor materials from further weather-related deteriorization were initiated. The most likely approach would be to procure a turn-key sheet metal building installed over the storage racks by an outside contractor to minimize costs. Most of the material has now been transferred from Y-12 to the ORNL storage area. It has been repositioned on new storage pallets and placed into the storage racks, An update of the detailed material inventory was initiated to ascertain the revised location of all blocks. Pieces of HSST plate O3 were distributed to participants in the ASTM cross-comparison exercise on subsize specimen testing technology. The use of the HSST O3 will provide for data from the many varieties of tests to be performed to be compared with the standardized data previously developed. The testing techniques will focus on ways to measure transition temperature and fracture toughness.

  11. Correlative microscopy.

    PubMed

    Loussert Fonta, Céline; Humbel, Bruno M

    2015-09-01

    In recent years correlative microscopy, combining the power and advantages of different imaging system, e.g., light, electrons, X-ray, NMR, etc., has become an important tool for biomedical research. Among all the possible combinations of techniques, light and electron microscopy, have made an especially big step forward and are being implemented in more and more research labs. Electron microscopy profits from the high spatial resolution, the direct recognition of the cellular ultrastructure and identification of the organelles. It, however, has two severe limitations: the restricted field of view and the fact that no live imaging can be done. On the other hand light microscopy has the advantage of live imaging, following a fluorescently tagged molecule in real time and at lower magnifications the large field of view facilitates the identification and location of sparse individual cells in a large context, e.g., tissue. The combination of these two imaging techniques appears to be a valuable approach to dissect biological events at a submicrometer level. Light microscopy can be used to follow a labelled protein of interest, or a visible organelle such as mitochondria, in time, then the sample is fixed and the exactly same region is investigated by electron microscopy. The time resolution is dependent on the speed of penetration and fixation when chemical fixatives are used and on the reaction time of the operator for cryo-fixation. Light microscopy can also be used to identify cells of interest, e.g., a special cell type in tissue or cells that have been modified by either transfections or RNAi, in a large population of non-modified cells. A further application is to find fluorescence labels in cells on a large section to reduce searching time in the electron microscope. Multiple fluorescence labelling of a series of sections can be correlated with the ultrastructure of the individual sections to get 3D information of the distribution of the marked proteins: array

  12. Correlation spectrometer

    DOEpatents

    Sinclair, Michael B.; Pfeifer, Kent B.; Flemming, Jeb H.; Jones, Gary D.; Tigges, Chris P.

    2010-04-13

    A correlation spectrometer can detect a large number of gaseous compounds, or chemical species, with a species-specific mask wheel. In this mode, the spectrometer is optimized for the direct measurement of individual target compounds. Additionally, the spectrometer can measure the transmission spectrum from a given sample of gas. In this mode, infrared light is passed through a gas sample and the infrared transmission signature of the gasses present is recorded and measured using Hadamard encoding techniques. The spectrometer can detect the transmission or emission spectra in any system where multiple species are present in a generally known volume.

  13. Correlative microscopy.

    PubMed

    Loussert Fonta, Céline; Humbel, Bruno M

    2015-09-01

    In recent years correlative microscopy, combining the power and advantages of different imaging system, e.g., light, electrons, X-ray, NMR, etc., has become an important tool for biomedical research. Among all the possible combinations of techniques, light and electron microscopy, have made an especially big step forward and are being implemented in more and more research labs. Electron microscopy profits from the high spatial resolution, the direct recognition of the cellular ultrastructure and identification of the organelles. It, however, has two severe limitations: the restricted field of view and the fact that no live imaging can be done. On the other hand light microscopy has the advantage of live imaging, following a fluorescently tagged molecule in real time and at lower magnifications the large field of view facilitates the identification and location of sparse individual cells in a large context, e.g., tissue. The combination of these two imaging techniques appears to be a valuable approach to dissect biological events at a submicrometer level. Light microscopy can be used to follow a labelled protein of interest, or a visible organelle such as mitochondria, in time, then the sample is fixed and the exactly same region is investigated by electron microscopy. The time resolution is dependent on the speed of penetration and fixation when chemical fixatives are used and on the reaction time of the operator for cryo-fixation. Light microscopy can also be used to identify cells of interest, e.g., a special cell type in tissue or cells that have been modified by either transfections or RNAi, in a large population of non-modified cells. A further application is to find fluorescence labels in cells on a large section to reduce searching time in the electron microscope. Multiple fluorescence labelling of a series of sections can be correlated with the ultrastructure of the individual sections to get 3D information of the distribution of the marked proteins: array

  14. Implicit and Explicit Attitudes of Educators toward the Emotional Disturbance Label

    ERIC Educational Resources Information Center

    Jones, James Patrick

    2009-01-01

    This study examined implicit and explicit attitudes of teachers toward the Emotional Disturbance (ED) label, the strength of association between implicit and explicit ratings, and the variance in attitudes between different types of teachers or among teachers in different settings. Ninety-eight teachers (52 regular education and 46 special…

  15. Associative and Propositional Processes in Evaluation: An Integrative Review of Implicit and Explicit Attitude Change

    ERIC Educational Resources Information Center

    Gawronski, Bertram; Bodenhausen, Galen V.

    2006-01-01

    A central theme in recent research on attitudes is the distinction between deliberate, "explicit" attitudes and automatic, "implicit" attitudes. The present article provides an integrative review of the available evidence on implicit and explicit attitude change that is guided by a distinction between associative and propositional processes.…

  16. Implicit and Explicit Learning of L2 Grammar: A Pilot Study.

    ERIC Educational Resources Information Center

    DeKeyser, Robert

    1994-01-01

    An exploratory study of six undergraduates under laboratory conditions aimed to clarify the role of explicit teaching of different kinds of second-language grammar rules. In this look at methodology, one hypothesis was supported: that explicit and deductive learning is better than implicit for simple categorical rules. (Contains 24 references.)…

  17. Implicit Knowledge, Explicit Knowledge, and Achievement in Second Language (L2) Spanish

    ERIC Educational Resources Information Center

    Gutierrez, Xavier

    2012-01-01

    Implicit and explicit knowledge of the second language (L2) are two central constructs in the field of second language acquisition (SLA). In recent years, there has been a renewed interest in obtaining valid and reliable measures of L2 learners' implicit and explicit knowledge (e.g., Bowles, 2011; R. Ellis, 2005). The purpose of the present study…

  18. Dissociation between implicit and explicit expectancies of cannabis use in adolescence.

    PubMed

    Schmits, Emilie; Maurage, Pierre; Thirion, Romain; Quertemont, Etienne

    2015-12-30

    Cannabis is one of the most commonly drugs used by teenagers. Expectancies about its effects play a crucial role in cannabis consumption. Various tools have been used to assess expectancies, mainly self-report questionnaires measuring explicit expectancies, but implicit measures based on experimental tasks have also been developed, measuring implicit expectancies. The aim of this study was to simultaneously assess implicit/explicit expectancies related to cannabis among adolescent users and non-users. 130 teenagers attending school (55 girls) were enrolled (Age: M=16.40 years); 43.84% had never used cannabis ("non-users") and 56.16% had used cannabis ("users"). They completed self-report questionnaires evaluating cannabis use, cannabis-related problems, effect expectancies (explicit expectancies), alcohol use, social and trait anxiety, depression, as well as three Implicit Association Tests (IAT) assessing implicit expectancies. Adolescents manifested more implicit affective associations (relaxation, excitation, negative) than neutral ones regarding cannabis. These were not related to explicit expectancies. Cannabis users reported more implicit relaxation expectancies and less negative explicit expectancies than non-users. The frequency of use and related problems were positively associated with the explicit expectancies regarding relaxation and enhancement, and were negatively associated with negative explicit expectancies and negative implicit expectancies. Findings indicate that implicit and explicit expectancies play different roles in cannabis use by adolescents. The implications for experimentation and prevention are discussed.

  19. The Neglected Combination: A Case for Explicit-Inductive Instruction in Teaching Pragmatics in ESL

    ERIC Educational Resources Information Center

    Glaser, Karen

    2013-01-01

    A substantial part of interlanguage pragmatics (ILP) research has contrasted explicit and implicit teaching designs, generally finding that explicit approaches--those featuring metapragmatic rule provision--are more effective than their implicit counterparts, which are characterized by the absence of metapragmatic information. A second dichotomy…

  20. Eleventh-Grade High School Students' Accounts of Mathematical Metacognitive Knowledge: Explicitness and Systematicity

    ERIC Educational Resources Information Center

    van Velzen, Joke H.

    2016-01-01

    Theoretically, it has been argued that a conscious understanding of metacognitive knowledge requires that this knowledge is explicit and systematic. The purpose of this descriptive study was to obtain a better understanding of explicitness and systematicity in knowledge of the mathematical problem-solving process. Eighteen 11th-grade…

  1. At the Interface: Dynamic Interactions of Explicit and Implicit Language Knowledge

    ERIC Educational Resources Information Center

    Ellis, Nick C.

    2005-01-01

    This paper considers how implicit and explicit knowledge are dissociable but cooperative. It reviews various psychological and neurobiological processes by which explicit knowledge of form-meaning associations impacts upon implicit language learning. The interface is dynamic: It happens transiently during conscious processing, but the influence…

  2. Dissociation between implicit and explicit expectancies of cannabis use in adolescence.

    PubMed

    Schmits, Emilie; Maurage, Pierre; Thirion, Romain; Quertemont, Etienne

    2015-12-30

    Cannabis is one of the most commonly drugs used by teenagers. Expectancies about its effects play a crucial role in cannabis consumption. Various tools have been used to assess expectancies, mainly self-report questionnaires measuring explicit expectancies, but implicit measures based on experimental tasks have also been developed, measuring implicit expectancies. The aim of this study was to simultaneously assess implicit/explicit expectancies related to cannabis among adolescent users and non-users. 130 teenagers attending school (55 girls) were enrolled (Age: M=16.40 years); 43.84% had never used cannabis ("non-users") and 56.16% had used cannabis ("users"). They completed self-report questionnaires evaluating cannabis use, cannabis-related problems, effect expectancies (explicit expectancies), alcohol use, social and trait anxiety, depression, as well as three Implicit Association Tests (IAT) assessing implicit expectancies. Adolescents manifested more implicit affective associations (relaxation, excitation, negative) than neutral ones regarding cannabis. These were not related to explicit expectancies. Cannabis users reported more implicit relaxation expectancies and less negative explicit expectancies than non-users. The frequency of use and related problems were positively associated with the explicit expectancies regarding relaxation and enhancement, and were negatively associated with negative explicit expectancies and negative implicit expectancies. Findings indicate that implicit and explicit expectancies play different roles in cannabis use by adolescents. The implications for experimentation and prevention are discussed. PMID:26575651

  3. Measuring Implicit and Explicit Knowledge of a Second Language: A Psychometric Study

    ERIC Educational Resources Information Center

    Ellis, Rod

    2005-01-01

    A problem facing investigations of implicit and explicit learning is the lack of valid measures of second language implicit and explicit knowledge. This paper attempts to establish operational definitions of these two constructs and reports a psychometric study of a battery of tests designed to provide relatively independent measures of them.…

  4. Implicit and Explicit Memory Performance in Children with Attention Deficit/Hyperactivity Disorder

    ERIC Educational Resources Information Center

    Aloisi, Bruno A.; McKone, Elinor; Heubeck, Bernd G.

    2004-01-01

    The present investigation examined implicit and explicit memory in 20 children diagnosed with attention deficit/hyperactivity disorder (AD/HD) and 20 matched controls. Consistent with previous research, children with AD/HD performed more poorly than controls on an explicit test of long-term memory for pictures. New results were that (a) there was…

  5. Everyday Conceptions of Object Fall: Explicit and Tacit Understanding during Middle Childhood

    ERIC Educational Resources Information Center

    Howe, Christine; Tavares, Joana Taylor; Devine, Amy

    2012-01-01

    Adults make erroneous predictions about object fall despite recognizing when observed displays are correct or incorrect. Prediction requires explicit engagement with conceptual knowledge, whereas recognition can be achieved through tacit processing. Therefore, it has been suggested that the greater challenge imposed by explicit engagement leads to…

  6. The Effect of Explicit Instruction on Strategic Reading in a Literacy Methods Course

    ERIC Educational Resources Information Center

    Iwai, Yuko

    2016-01-01

    This study examined the impact of explicit instruction on metacognitive reading strategies among 18 K-8 teacher candidates in a literacy methods course. They received weekly explicit intervention about these strategies over one semester. Collected data included pre- and post-scores of the Metacognitive Awareness of Reading Strategies Inventory…

  7. Teaching Nature of Science Explicitly in a First-Grade Internship Setting

    ERIC Educational Resources Information Center

    Akerson, Valarie L.; Volrich, Morgan L.

    2006-01-01

    This case study focused on a preservice teachers' (Morgan) efforts to explicitly emphasize nature of science (NOS) elements in her first-grade internship classroom. The study assessed the change in first grade students' views of the inferential, tentative, and creative NOS as a result of the explicit instruction. Morgan held appropriate views of…

  8. Moderators of implicit and explicit drinking identity in a large US adult sample.

    PubMed

    Lindgren, Kristen P; Gasser, Melissa L; Werntz, Alexandra; Namaky, Nauder; Baldwin, Scott A; Teachman, Bethany A

    2016-09-01

    Drinking identity (viewing oneself as a drinker) is a potential risk factor for problematic drinking in US undergraduate samples. Whether that risk extends to a broader, more general US sample is unknown. Additionally, there are critical, unanswered questions with respect to moderators of the drinking identity-problematic drinking relationship; an important issue for designing prevention efforts. Study aims were to assess the unique associations and interactive effects of implicit and explicit measures of drinking identity on problematic drinking, and to evaluate age and sex as potential moderators of the drinking identity-problematic drinking relationship. A sample of 11,320 adults aged 18-98 completed measures of implicit and explicit drinking identity and problematic drinking (the Alcohol Use Disorder Identification Test; AUDIT). Implicit and explicit drinking identity had positive, significant associations with AUDIT scores, as expected. Moderation analyses indicated small, but significant, interactions. There was an implicit by explicit identity interaction consistent with a synergistic effect: lower implicit and explicit identity was linked to a greater probability of being a non-drinker. Age moderated explicit but not implicit identity: lower drinking identity appeared to be more protective for younger individuals. Sex moderated implicit but not explicit identity: a weaker positive association with implicit identity and AUDIT scores was observed among men, potentially reflecting stigma against women's drinking. Findings suggest that drinking identity's potential as a risk factor for problematic drinking extends to a more general US sample and that both implicit and explicit identity should be targeted in prevention efforts. PMID:27156218

  9. Measuring Implicit and Explicit Linguistic Knowledge: What Can Heritage Language Learners Contribute?

    ERIC Educational Resources Information Center

    Bowles, Melissa A.

    2011-01-01

    Although claims about explicit and implicit language knowledge are central to many debates in SLA, little research has been dedicated to measuring the two knowledge types (R. Ellis, 2004, 2005). The purpose of this study was to validate the use of the battery of tests reported in Ellis (2005) to measure implicit and explicit language knowledge.…

  10. An efficient, explicit finite-rate algorithm to compute flows in chemical nonequilibrium

    NASA Technical Reports Server (NTRS)

    Palmer, Grant

    1989-01-01

    An explicit finite-rate code was developed to compute hypersonic viscous chemically reacting flows about three-dimensional bodies. Equations describing the finite-rate chemical reactions were fully coupled to the gas dynamic equations using a new coupling technique. The new technique maintains stability in the explicit finite-rate formulation while permitting relatively large global time steps.

  11. Examining the Association between Explicit Mathematics Instruction and Student Mathematics Achievement

    ERIC Educational Resources Information Center

    Doabler, Christian T.; Baker, Scott K.; Kosty, Derek B.; Smolkowski, Keith; Clarke, Ben; Miller, Saralyn J.; Fien, Hank

    2015-01-01

    Explicit instruction is a systematic instructional approach that facilitates frequent and meaningful instructional interactions between teachers and students around critical academic content. This study examined the relationship between student mathematics outcomes and the rate and quality of explicit instructional interactions that occur during…

  12. Implicit and Explicit Theory of Mind Reasoning in Autism Spectrum Disorders: The Impact of Experience

    ERIC Educational Resources Information Center

    Schuwerk, Tobias; Vuori, Maria; Sodian, Beate

    2015-01-01

    This study aimed to investigate the relationship between explicit and implicit forms of Theory of Mind reasoning and to test the influence of experience on implicit Theory of Mind reasoning in individuals with autism spectrum disorders and in neurotypical adults. Results from two standard explicit Theory of Mind tasks are mixed: Individuals with…

  13. Investigation the Relationship among Language Learning Strategies, English Self-Efficacy, and Explicit Strategy Instructions

    ERIC Educational Resources Information Center

    Yang, Pei-Ling; Wang, Ai-Ling

    2015-01-01

    The present study aims to investigate the relationship among EFL college learners' language learning strategies, English self-efficacy, and explicit strategy instruction from the perspectives of Social Cognitive Theory. Three constructs, namely language learning strategies, English learning self-efficacy, and explicit strategy instruction, were…

  14. Moderators of implicit and explicit drinking identity in a large US adult sample.

    PubMed

    Lindgren, Kristen P; Gasser, Melissa L; Werntz, Alexandra; Namaky, Nauder; Baldwin, Scott A; Teachman, Bethany A

    2016-09-01

    Drinking identity (viewing oneself as a drinker) is a potential risk factor for problematic drinking in US undergraduate samples. Whether that risk extends to a broader, more general US sample is unknown. Additionally, there are critical, unanswered questions with respect to moderators of the drinking identity-problematic drinking relationship; an important issue for designing prevention efforts. Study aims were to assess the unique associations and interactive effects of implicit and explicit measures of drinking identity on problematic drinking, and to evaluate age and sex as potential moderators of the drinking identity-problematic drinking relationship. A sample of 11,320 adults aged 18-98 completed measures of implicit and explicit drinking identity and problematic drinking (the Alcohol Use Disorder Identification Test; AUDIT). Implicit and explicit drinking identity had positive, significant associations with AUDIT scores, as expected. Moderation analyses indicated small, but significant, interactions. There was an implicit by explicit identity interaction consistent with a synergistic effect: lower implicit and explicit identity was linked to a greater probability of being a non-drinker. Age moderated explicit but not implicit identity: lower drinking identity appeared to be more protective for younger individuals. Sex moderated implicit but not explicit identity: a weaker positive association with implicit identity and AUDIT scores was observed among men, potentially reflecting stigma against women's drinking. Findings suggest that drinking identity's potential as a risk factor for problematic drinking extends to a more general US sample and that both implicit and explicit identity should be targeted in prevention efforts.

  15. Implicit and Explicit Memory for Affective Passages in Temporal Lobectomy Patients

    ERIC Educational Resources Information Center

    Burton, Leslie A.; Rabin, Laura; Vardy, Susan Bernstein; Frohlich, Jonathan; Porter, Gwinne Wyatt; Dimitri, Diana; Cofer, Lucas; Labar, Douglas

    2008-01-01

    Eighteen temporal lobectomy patients (9 left, LTL; 9 right, RTL) were administered four verbal tasks, an Affective Implicit Task, a Neutral Implicit Task, an Affective Explicit Task, and a Neutral Explicit Task. For the Affective and Neutral Implicit Tasks, participants were timed while reading aloud passages with affective or neutral content,…

  16. Late positive potential to explicit sexual images associated with the number of sexual intercourse partners.

    PubMed

    Prause, Nicole; Steele, Vaughn R; Staley, Cameron; Sabatinelli, Dean

    2015-01-01

    Risky sexual behaviors typically occur when a person is sexually motivated by potent, sexual reward cues. Yet, individual differences in sensitivity to sexual cues have not been examined with respect to sexual risk behaviors. A greater responsiveness to sexual cues might provide greater motivation for a person to act sexually; a lower responsiveness to sexual cues might lead a person to seek more intense, novel, possibly risky, sexual acts. In this study, event-related potentials were recorded in 64 men and women while they viewed a series of emotional, including explicit sexual, photographs. The motivational salience of the sexual cues was varied by including more and less explicit sexual images. Indeed, the more explicit sexual stimuli resulted in enhanced late positive potentials (LPP) relative to the less explicit sexual images. Participants with fewer sexual intercourse partners in the last year had reduced LPP amplitude to the less explicit sexual images than the more explicit sexual images, whereas participants with more partners responded similarly to the more and less explicit sexual images. This pattern of results is consistent with a greater responsivity model. Those who engage in more sexual behaviors consistent with risk are also more responsive to less explicit sexual cues.

  17. Aptitude-Treatment Interaction Effects on Explicit Rule Learning: A Latent Growth Curve Analysis

    ERIC Educational Resources Information Center

    Hwu, Fenfang; Pan, Wei; Sun, Shuyan

    2014-01-01

    Finding the match between individuals and educational treatments is the aim of both educators and the aptitude-treatment interaction research paradigm. Using the latent growth curve analysis, the present study investigates the interaction between the type of explicit instructional approaches (deductive vs. explicit-inductive) and the level of…

  18. Explicit Mathematics Instruction: What Teachers Can Do for Teaching Students With Mathematics Difficulties

    ERIC Educational Resources Information Center

    Doabler, Christian T.; Fien, Hank

    2013-01-01

    This article describes the essential instructional elements necessary for delivering explicit mathematics instruction to students with mathematics difficulties. Mathematics intervention research indicates that explicit instruction is one of the most effective instructional approaches for teaching students with or at risk for math difficulties.…

  19. Meta-Analysis of Explicit Memory Studies in Populations with Intellectual Disability

    ERIC Educational Resources Information Center

    Lifshitz, Hefziba; Shtein, Sarit; Weiss, Izhak; Vakil, Eli

    2011-01-01

    This meta-analysis combines the effect size (ES) of 40 explicit memory experiments in populations with intellectual disability (ID). Eight meta-analyses were performed, as well as contrast tests between ES. The explicit memory of participants with ID was inferior to that of participants with typical development (TD). Relatively preserved explicit…

  20. ESL Elementary Teachers' Use of Children's Picture Books to Initiate Explicit Instruction of Reading Comprehension Strategies

    ERIC Educational Resources Information Center

    Al Khaiyali, Al Tiyb S.

    2014-01-01

    Reading comprehension instruction has been recognized as a key factor in developing any reading and literacy program. Therefore, many attempts were devoted to improve explicit comprehension strategy instruction at different school levels and fields including EFL and ESL. Despite these efforts, explicit comprehension instruction is still drought…

  1. Effective Reading Instruction for Struggling Readers: The Role of Direct/Explicit Teaching

    ERIC Educational Resources Information Center

    Rupley, William H.; Blair, Timothy R.; Nichols, William D.

    2009-01-01

    Struggling readers are more likely to learn essential reading skills and strategies if the direct or explicit model of instruction is part of the teacher's repertoire of teaching methods. Directly/explicitly teaching reading means imparting new information to students through meaningful teacher-student interactions and teacher guidance of student…

  2. The Effect of Explicit Teaching of Comprehension Strategies on Reading Comprehension in Elementary School

    ERIC Educational Resources Information Center

    Atkins, James Grant

    2013-01-01

    This study investigated the effect of explicit teaching of comprehension strategies on the comprehension performance of elementary school students. Two schools with similar demographics, including a significant proportion of students at risk for reading failure, participated in the study. One school utilized an explicit comprehension strategy…

  3. The Effects of Explicit Instruction on French-Speaking Kindergarteners' Understanding of Stories

    ERIC Educational Resources Information Center

    Pesco, Diane; Devlin, Christine

    2015-01-01

    The study examines the effects of a short period of explicit instruction on the narrative comprehension of French-speaking kindergarteners, as measured by story retell and comprehension questions. A group of kindergarteners that received explicit instruction (n = 15) was compared to a control group that was exposed to the same storybooks and…

  4. CORI: Explicit Reading Instruction to Enhance Informational Text Comprehension and Reading Engagement for Thai EFL Students

    ERIC Educational Resources Information Center

    Vongkrachang, Salila; Chinwonno, Apasara

    2015-01-01

    The study aimed to examine the effect of explicit reading instruction as an approach to Concept-Oriented Reading Instruction (CORI) framework on EFL students' informational text comprehension and engagement. The explicit reading instruction was implemented with 39 first-year Thai undergraduate students over a 10-week period. It was found that the…

  5. An explicit three-dimensional nonhydrostatic numerical simulation of a tropical cyclone

    NASA Technical Reports Server (NTRS)

    Tripoli, G. J.

    1992-01-01

    A nonhydrostatic numerical simulation of a tropical cyclone is performed with explicit representation of cumulus on a meso-beta scale grid and for a brief period on a meso-gamma scale grid. Individual cumulus plumes are represented by a combination of explicit resolution and a 1.5 level closure predicting turbulent kinetic energy (TKE).

  6. Shifting from Implicit to Explicit Knowledge: Different Roles of Early- and Late-Night Sleep

    ERIC Educational Resources Information Center

    Yordanova, Juliana; Kolev, Vasil; Verleger, Rolf; Bataghva, Zhamak; Born, Jan; Wagner, Ullrich

    2008-01-01

    Sleep has been shown to promote the generation of explicit knowledge as indicated by the gain of insight into previously unrecognized task regularities. Here, we explored whether this generation of explicit knowledge depends on pre-sleep implicit knowledge, and specified the differential roles of slow-wave sleep (SWS) vs. rapid eye movement (REM)…

  7. Corrective Feedback and Second Language Acquisition: Differential Contributions of Implicit and Explicit Knowledge

    ERIC Educational Resources Information Center

    Ebadi, Mandana Rohollahzadeh; Saad, Mohd Rashid Mohd; Abedalaziz, Nabil

    2014-01-01

    The issue of error correction remains controversial in recent years due to the different positions of interface toward implicit and explicit knowledge of ESL learners. This study looks at the impacts of implicit corrective feedback in the form of recast on implicit and explicit knowledge of adult ESL learners. In an experimental study,…

  8. Teaching Nature of Science to Pre-Service Early Childhood Teachers through an Explicit Reflective Approach

    ERIC Educational Resources Information Center

    Cil, Emine

    2014-01-01

    In this study, fifteen pre-service early childhood teachers' views of nature of science (NOS) were analysed. The student teachers took a course where NOS was taught via explicit reflective approach. The explicit reflective approach advocates that goal of improving students' NOS views should be planned for instead of being anticipated as…

  9. Modeling Task Switching without Switching Tasks: A Short-Term Priming Account of Explicitly Cued Performance

    ERIC Educational Resources Information Center

    Schneider, Darryl W.; Logan, Gordon D.

    2005-01-01

    Switch costs in task switching are commonly attributed to an executive control process of task-set reconfiguration, particularly in studies involving the explicit task-cuing procedure. The authors propose an alternative account of explicitly cued performance that is based on 2 mechanisms: priming of cue encoding from residual activation of cues in…

  10. Pre-Service Teachers' Implicit and Explicit Attitudes toward Obesity Influence Their Judgments of Students

    ERIC Educational Resources Information Center

    Glock, Sabine; Beverborg, Arnoud Oude Groote; Müller, Barbara C. N.

    2016-01-01

    Obese children experience disadvantages in school and discrimination from their teachers. Teachers' implicit and explicit attitudes have been identified as contributing to these disadvantages. Drawing on dual process models, we investigated the nature of pre-service teachers' implicit and explicit attitudes, their motivation to respond without…

  11. Late positive potential to explicit sexual images associated with the number of sexual intercourse partners

    PubMed Central

    Steele, Vaughn R.; Staley, Cameron; Sabatinelli, Dean

    2015-01-01

    Risky sexual behaviors typically occur when a person is sexually motivated by potent, sexual reward cues. Yet, individual differences in sensitivity to sexual cues have not been examined with respect to sexual risk behaviors. A greater responsiveness to sexual cues might provide greater motivation for a person to act sexually; a lower responsiveness to sexual cues might lead a person to seek more intense, novel, possibly risky, sexual acts. In this study, event-related potentials were recorded in 64 men and women while they viewed a series of emotional, including explicit sexual, photographs. The motivational salience of the sexual cues was varied by including more and less explicit sexual images. Indeed, the more explicit sexual stimuli resulted in enhanced late positive potentials (LPP) relative to the less explicit sexual images. Participants with fewer sexual intercourse partners in the last year had reduced LPP amplitude to the less explicit sexual images than the more explicit sexual images, whereas participants with more partners responded similarly to the more and less explicit sexual images. This pattern of results is consistent with a greater responsivity model. Those who engage in more sexual behaviors consistent with risk are also more responsive to less explicit sexual cues. PMID:24526189

  12. First thought, best thought: positive mood maintains and negative mood degrades implicit-explicit attitude correspondence.

    PubMed

    Huntsinger, Jeffrey R; Smith, Colin Tucker

    2009-02-01

    Two studies investigate the effect of mood on the relationship between implicit and explicit attitudes toward African Americans (Experiment 1) and implicit and explicit academic attitudes (Experiment 2). Because explicit and implicit attitudes are more related when people validate their automatic attitudes as true (the associative-propositional evaluation model) and because people tend to validate their immediate reactions when they are in positive rather than negative moods (the affect-as-information model), the authors predicted a stronger implicit-explicit attitude correspondence among positive versus negative mood participants. As predicted, in both studies, participants exhibited a significant correspondence between implicit and explicit attitudes when in positive moods but not when in negative moods.

  13. Explicit polarization: a quantum mechanical framework for developing next generation force fields.

    PubMed

    Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

    2014-09-16

    Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples

  14. Explicit Polarization: A Quantum Mechanical Framework for Developing Next Generation Force Fields

    PubMed Central

    2015-01-01

    Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems (“fragments”) to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative

  15. Explicit polarization: a quantum mechanical framework for developing next generation force fields.

    PubMed

    Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

    2014-09-16

    Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples

  16. Flexible explicit but rigid implicit learning in a visuomotor adaptation task

    PubMed Central

    Bond, Krista M.

    2015-01-01

    There is mounting evidence for the idea that performance in a visuomotor rotation task can be supported by both implicit and explicit forms of learning. The implicit component of learning has been well characterized in previous experiments and is thought to arise from the adaptation of an internal model driven by sensorimotor prediction errors. However, the role of explicit learning is less clear, and previous investigations aimed at characterizing the explicit component have relied on indirect measures such as dual-task manipulations, posttests, and descriptive computational models. To address this problem, we developed a new method for directly assaying explicit learning by having participants verbally report their intended aiming direction on each trial. While our previous research employing this method has demonstrated the possibility of measuring explicit learning over the course of training, it was only tested over a limited scope of manipulations common to visuomotor rotation tasks. In the present study, we sought to better characterize explicit and implicit learning over a wider range of task conditions. We tested how explicit and implicit learning change as a function of the specific visual landmarks used to probe explicit learning, the number of training targets, and the size of the rotation. We found that explicit learning was remarkably flexible, responding appropriately to task demands. In contrast, implicit learning was strikingly rigid, with each task condition producing a similar degree of implicit learning. These results suggest that explicit learning is a fundamental component of motor learning and has been overlooked or conflated in previous visuomotor tasks. PMID:25855690

  17. The explicitly correlated same number of optimized parameters (SNOOP-F12) scheme for calculating intermolecular interaction energies

    NASA Astrophysics Data System (ADS)

    Rasmussen, Troels Hels; Wang, Yang Min; Kjærgaard, Thomas; Kristensen, Kasper

    2016-05-01

    We augment the recently introduced same number of optimized parameters (SNOOP) scheme [K. Kristensen et al., J. Chem. Phys. 142, 114116 (2015)] for calculating interaction energies of molecular dimers with an F12 correction and generalize the method to enable the determination of interaction energies of general molecular clusters. The SNOOP, uncorrected (UC), and counterpoise (CP) schemes with/without an F12 correction are compared for the S22 test set of Jurečka et al. [Phys. Chem. Chem. Phys. 8, 1985 (2006)]—which consists of 22 molecular dimers of biological importance—and for water and methane molecular clusters. The calculations have been performed using the Resolution of the Identity second-order Møller-Plesset perturbation theory method. We conclude from the results that the SNOOP scheme generally yields interaction energies closer to the complete basis set limit value than the UC and CP approaches, regardless of whether the F12 correction is applied or not. Specifically, using the SNOOP scheme with an F12 correction yields the computationally most efficient way of achieving accurate results at low basis set levels. These conclusions hold both for molecular dimers and more general molecular clusters.

  18. USE OF HABITAT-CONTAMINATION SPATIAL CORRELATION TO DETERMINE WHEN TO PERFORM A SPATIALLY EXPLICIT ECOLOGICAL RISK ASSESSMENT

    EPA Science Inventory

    Anthropogenic contamination is typically distributed heterogeneously through space. This spatial structure can have different effects on the cumulative doses of individuals exposed to contamination within the environment. These effects are accentuated when individuals pursue di...

  19. Spin-Restriction in Explicitly Correlated Coupled Cluster Theory: The Z-Averaged CCSD(2)R12 Approach.

    PubMed

    Wilke, Jeremiah J; Schaefer, Henry F

    2011-08-01

    R12 methods have now been established to improve both the efficiency and accuracy of wave function-based theories. While closed-shell and spin-orbital methodologies for coupled cluster theory are well-studied, R12 corrections based on an open-shell, spin-restricted formalism have not been well developed. We present an efficient spin-restricted R12 method based on the symmetric exchange or Z-averaged approach that reduces the number of variational parameters. The current formalism reduces spin contamination relative to unrestricted methods but remains rigorously size consistent in contrast to other spin-adapted formulations. The theory is derived entirely in spin-orbital quantities, but Z-averaged symmetries are exploited to minimize the computational work in the residual equations. R12 corrections are formulated in a perturbative manner and are therefore obtained with little extra cost relative to the standard coupled cluster problem. R12 results with only a triple-ζ basis are competitive with conventional aug-cc-pV5Z and aug-cc-pV6Z results, demonstrating the utility of the method in thermochemical problems for high-spin open-shell systems.

  20. Deciphering the adjustment between environment and life history in annuals: lessons from a geographically-explicit approach in Arabidopsis thaliana.

    PubMed

    Manzano-Piedras, Esperanza; Marcer, Arnald; Alonso-Blanco, Carlos; Picó, F Xavier

    2014-01-01

    The role that different life-history traits may have in the process of adaptation caused by divergent selection can be assessed by using extensive collections of geographically-explicit populations. This is because adaptive phenotypic variation shifts gradually across space as a result of the geographic patterns of variation in environmental selective pressures. Hence, large-scale experiments are needed to identify relevant adaptive life-history traits as well as their relationships with putative selective agents. We conducted a field experiment with 279 geo-referenced accessions of the annual plant Arabidopsis thaliana collected across a native region of its distribution range, the Iberian Peninsula. We quantified variation in life-history traits throughout the entire life cycle. We built a geographic information system to generate an environmental data set encompassing climate, vegetation and soil data. We analysed the spatial autocorrelation patterns of environmental variables and life-history traits, as well as the relationship between environmental and phenotypic data. Almost all environmental variables were significantly spatially autocorrelated. By contrast, only two life-history traits, seed weight and flowering time, exhibited significant spatial autocorrelation. Flowering time, and to a lower extent seed weight, were the life-history traits with the highest significant correlation coefficients with environmental factors, in particular with annual mean temperature. In general, individual fitness was higher for accessions with more vigorous seed germination, higher recruitment and later flowering times. Variation in flowering time mediated by temperature appears to be the main life-history trait by which A. thaliana adjusts its life history to the varying Iberian environmental conditions. The use of extensive geographically-explicit data sets obtained from field experiments represents a powerful approach to unravel adaptive patterns of variation. In a

  1. Particle correlations in a Fermi superfluid

    SciTech Connect

    Lamacraft, A.

    2006-01-15

    We discuss the correlations between particles of different momentum in a superfluid Fermi gas, accessible through noise measurements of the absorption images of the expanded gas. We include two elements missing from the simplest treatment, based on the BCS wavefunction: the explicit use of a conserving approximation satisfying particle number conservation and the inclusion of the contribution from Cooper pairs at finite momentum. We expect the latter to be a significant issue in the strongly correlated state emerging in the BCS-Bose-Einstein condensate (BEC) crossover.

  2. Spatially explicit models for inference about density in unmarked or partially marked populations

    USGS Publications Warehouse

    Chandler, Richard B.; Royle, J. Andrew

    2013-01-01

    Recently developed spatial capture–recapture (SCR) models represent a major advance over traditional capture–recapture (CR) models because they yield explicit estimates of animal density instead of population size within an unknown area. Furthermore, unlike nonspatial CR methods, SCR models account for heterogeneity in capture probability arising from the juxtaposition of animal activity centers and sample locations. Although the utility of SCR methods is gaining recognition, the requirement that all individuals can be uniquely identified excludes their use in many contexts. In this paper, we develop models for situations in which individual recognition is not possible, thereby allowing SCR concepts to be applied in studies of unmarked or partially marked populations. The data required for our model are spatially referenced counts made on one or more sample occasions at a collection of closely spaced sample units such that individuals can be encountered at multiple locations. Our approach includes a spatial point process for the animal activity centers and uses the spatial correlation in counts as information about the number and location of the activity centers. Camera-traps, hair snares, track plates, sound recordings, and even point counts can yield spatially correlated count data, and thus our model is widely applicable. A simulation study demonstrated that while the posterior mean exhibits frequentist bias on the order of 5–10% in small samples, the posterior mode is an accurate point estimator as long as adequate spatial correlation is present. Marking a subset of the population substantially increases posterior precision and is recommended whenever possible. We applied our model to avian point count data collected on an unmarked population of the northern parula (Parula americana) and obtained a density estimate (posterior mode) of 0.38 (95% CI: 0.19–1.64) birds/ha. Our paper challenges sampling and analytical conventions in ecology by demonstrating

  3. Perceived normative pressure and majority adolescents' implicit and explicit attitudes towards immigrants.

    PubMed

    Mähönen, Tuuli Anna; Jasinskaja-Lahti, Inga; Liebkind, Karmela; Finell, Eerika

    2010-06-01

    The aim of the present study was to examine if perceived normative pressure (i.e., perception of the normative expectations of family and friends regarding one's intergroup attitudes) had a direct impact on majority youth's (N = 93) explicit attitudes and moderated the relationship between their implicit (measured with the ST-IAT) and explicit attitudes towards Russian immigrants in Finland. The results indicated that normative pressure is positively associated with the explicit attitudes of adolescents, and that the implicit attitudes of the adolescents towards immigrants surface on the explicit level only when they do not perceive a normative pressure to hold positive intergroup attitudes. More specifically, when there is no normative pressure, the explicit attitudes of youth are, at best, neutral, and reflect their implicit attitudes. In contrast, when normative pressure is perceived to be high, the level of explicit attitudes is generally more positive, and the expression of explicit attitudes is not determined by implicit attitudes. The effects of age, sex, quality of past intergroup contact experiences, and intergroup anxiety were controlled for in the analysis. The findings highlight the importance of taking normative pressure into consideration when studying socially sensitive ethnic attitudes among adolescents.

  4. A test of the survival processing advantage in implicit and explicit memory tests.

    PubMed

    McBride, Dawn M; Thomas, Brandon J; Zimmerman, Corinne

    2013-08-01

    The present study was designed to investigate the survival processing effect (Nairne, Thompson, & Pandeirada, Journal of Experimental Psychology: Learning, Memory, and Cognition, 33, 263-273, 2007) in cued implicit and explicit memory tests. The survival effect has been well established in explicit free recall and recognition tests, but has not been evident in implicit memory tests or in cued explicit tests. In Experiment 1 of the present study, we tested implicit and explicit memory for words studied in survival, moving, or pleasantness contexts in stem completion tests. In Experiment 2, we further tested these effects in implicit and explicit category production tests. Across the two experiments, with four separate memory tasks that included a total of 525 subjects, no survival processing advantage was found, replicating the results from implicit tests reported by Tse and Altarriba (Memory & Cognition, 38, 1110-1121, 2010). Thus, although the survival effect appears to be quite robust in free recall and recognition tests, it has not been replicated in cued implicit and explicit memory tests. The similar results found for the implicit and explicit tests in the present study do not support encoding elaboration explanations of the survival processing effect. PMID:23456303

  5. Explicit pre-training instruction does not improve implicit perceptual-motor sequence learning

    PubMed Central

    Sanchez, Daniel J.; Reber, Paul J.

    2012-01-01

    Memory systems theory argues for separate neural systems supporting implicit and explicit memory in the human brain. Neuropsychological studies support this dissociation, but empirical studies of cognitively healthy participants generally observe that both kinds of memory are acquired to at least some extent, even in implicit learning tasks. A key question is whether this observation reflects parallel intact memory systems or an integrated representation of memory in healthy participants. Learning of complex tasks in which both explicit instruction and practice is used depends on both kinds of memory, and how these systems interact will be an important component of the learning process. Theories that posit an integrated, or single, memory system for both types of memory predict that explicit instruction should contribute directly to strengthening task knowledge. In contrast, if the two types of memory are independent and acquired in parallel, explicit knowledge should have no direct impact and may serve in a “scaffolding” role in complex learning. Using an implicit perceptual-motor sequence learning task, the effect of explicit pre-training instruction on skill learning and performance was assessed. Explicit pre-training instruction led to robust explicit knowledge, but sequence learning did not benefit from the contribution of pre-training sequence memorization. The lack of an instruction benefit suggests that during skill learning, implicit and explicit memory operate independently. While healthy participants will generally accrue parallel implicit and explicit knowledge in complex tasks, these types of information appear to be separately represented in the human brain consistent with multiple memory systems theory. PMID:23280147

  6. An explicit approach to conceptual density functional theory descriptors of arbitrary order

    NASA Astrophysics Data System (ADS)

    Heidar-Zadeh, Farnaz; Richer, Michael; Fias, Stijn; Miranda-Quintana, Ramón Alain; Chan, Matthew; Franco-Pérez, Marco; González-Espinoza, Cristina E.; Kim, Taewon David; Lanssens, Caitlin; Patel, Anand H. G.; Yang, Xiaotian Derrick; Vöhringer-Martinez, Esteban; Cárdenas, Carlos; Verstraelen, Toon; Ayers, Paul W.

    2016-09-01

    We present explicit formulas for arbitrary-order derivatives of the energy, grand potential, electron density, and higher-order response functions with respect to the number of electrons, and the chemical potential for any smooth and differentiable model of the energy versus the number of electrons. The resulting expressions for global reactivity descriptors (hyperhardnesses and hypersoftnesses), local reactivity descriptors (hyperFukui functions and local hypersoftnesses), and nonlocal response functions are easy to evaluate computationally. Specifically, the explicit formulas for global/local/nonlocal hypersoftnesses of arbitrary order are derived using Bell polynomials. Explicit expressions for global and local hypersoftness indicators up to fifth order are presented.

  7. Explicit numerical solutions of a microbial survival model under nonisothermal conditions.

    PubMed

    Zhu, Si; Chen, Guibing

    2016-03-01

    Differential equations used to describe the original and modified Geeraerd models were, respectively, simplified into an explicit equation in which the integration of the specific inactivation rate with respect to time was numerically approximated using the Simpson's rule. The explicit numerical solutions were then used to simulate microbial survival curves and fit nonisothermal survival data for identifying model parameters in Microsoft Excel. The results showed that the explicit numerical solutions provided an easy way to accurately simulate microbial survival and estimate model parameters from nonisothermal survival data using the Geeraerd models.

  8. Explicit robust schemes for implementation of general principal value-based constitutive models

    NASA Technical Reports Server (NTRS)

    Arnold, S. M.; Saleeb, A. F.; Tan, H. Q.; Zhang, Y.

    1993-01-01

    The issue of developing effective and robust schemes to implement general hyperelastic constitutive models is addressed. To this end, special purpose functions are used to symbolically derive, evaluate, and automatically generate the associated FORTRAN code for the explicit forms of the corresponding stress function and material tangent stiffness tensors. These explicit forms are valid for the entire deformation range. The analytical form of these explicit expressions is given here for the case in which the strain-energy potential is taken as a nonseparable polynomial function of the principle stretches.

  9. Some explicit solutions for a class of one-phase Stefan problems

    NASA Astrophysics Data System (ADS)

    Layeni, Olawanle P.; Johnson, Jesse V.

    2012-09-01

    Salva and Tarzia, [N.N. Salva, D.A. Tarzia, J. Math. Anal. Appl. 379 (2011) 240 - 244], gave explicit solutions of a similarity type for a class of free boundary problem for a semi-infinite material. In this paper, through an elementary approach and less stringent assumption on data, we obtain more general results than those given by their central result, and thereby construct explicit solutions for a wider class of Stefan problems with a type of variable heat flux boundary conditions. Further, explicit solutions of certain forced one-phase Stefan problems are given.

  10. On the measurability of quantum correlation functions

    SciTech Connect

    Lima Bernardo, Bertúlio de Azevedo, Sérgio; Rosas, Alexandre

    2015-05-15

    The concept of correlation function is widely used in classical statistical mechanics to characterize how two or more variables depend on each other. In quantum mechanics, on the other hand, there are observables that cannot be measured at the same time; the so-called incompatible observables. This prospect imposes a limitation on the definition of a quantum analog for the correlation function in terms of a sequence of measurements. Here, based on the notion of sequential weak measurements, we circumvent this limitation by introducing a framework to measure general quantum correlation functions, in principle, independently of the state of the system and the operators involved. To illustrate, we propose an experimental configuration to obtain explicitly the quantum correlation function between two Pauli operators, in which the input state is an arbitrary mixed qubit state encoded on the polarization of photons.

  11. On the measurability of quantum correlation functions

    NASA Astrophysics Data System (ADS)

    de Lima Bernardo, Bertúlio; Azevedo, Sérgio; Rosas, Alexandre

    2015-05-01

    The concept of correlation function is widely used in classical statistical mechanics to characterize how two or more variables depend on each other. In quantum mechanics, on the other hand, there are observables that cannot be measured at the same time; the so-called incompatible observables. This prospect imposes a limitation on the definition of a quantum analog for the correlation function in terms of a sequence of measurements. Here, based on the notion of sequential weak measurements, we circumvent this limitation by introducing a framework to measure general quantum correlation functions, in principle, independently of the state of the system and the operators involved. To illustrate, we propose an experimental configuration to obtain explicitly the quantum correlation function between two Pauli operators, in which the input state is an arbitrary mixed qubit state encoded on the polarization of photons.

  12. Electron correlation dynamics in atoms and molecules.

    PubMed

    Nest, M; Ludwig, M; Ulusoy, I; Klamroth, T; Saalfrank, P

    2013-04-28

    In this paper, we present quantum dynamical calculations on electron correlation dynamics in atoms and molecules using explicitly time-dependent ab initio configuration interaction theory. The goals are (i) to show that in which cases it is possible to switch off the electronic correlation by ultrashort laser pulses, and (ii) to understand the temporal evolution and the time scale on which it reappears. We characterize the appearance of correlation through electron-electron scattering when starting from an uncorrelated state, and we identify pathways for the preparation of a Hartree-Fock state from the correlated, true ground state. Exemplary results for noble gases, alkaline earth elements, and selected molecules are provided. For Mg we show that the uncorrelated state can be prepared using a shaped ultrashort laser pulse.

  13. Sexually Explicit Cell Phone Messaging Associated With Sexual Risk Among Adolescents

    PubMed Central

    Rhoades, Harmony; Winetrobe, Hailey; Sanchez, Monica; Montoya, Jorge; Plant, Aaron; Kordic, Timothy

    2012-01-01

    OBJECTIVES: Sexting (sending/receiving sexually explicit texts and images via cell phone) may be associated with sexual health consequences among adolescents. However, to date, no published data from a probability-based sample has examined associations between sexting and sexual activity. METHODS: A probability sample of 1839 students was collected alongside the 2011 Youth Risk Behavior Survey in Los Angeles high schools. Logistic regressions were used to assess the correlates of sexting behavior and associations between sexting and sexual risk-taking. RESULTS: Fifteen percent of adolescents with cell phone access reported sexting, and 54% reported knowing someone who had sent a sext. Adolescents whose peers sexted were more likely to sext themselves (odds ratio [OR] = 16.87, 95% confidence interval [CI]: 9.62–29.59). Adolescents who themselves sexted were more likely to report being sexually active (OR = 7.17, 95% CI: 5.01–10.25). Nonheterosexual students were more likely to report sexting (OR = 2.74, 95% CI: 1.86–4.04), sexual activity (OR = 1.52, 95% CI: 1.07–2.15), and unprotected sex at last sexual encounter (OR = 1.84, 95% CI: 1.17–2.89). CONCLUSIONS: Sexting, rather than functioning as an alternative to “real world” sexual risk behavior, appears to be part of a cluster of risky sexual behaviors among adolescents. We recommend that clinicians discuss sexting as an adolescent-friendly way of engaging patients in conversations about sexual activity, prevention of sexually transmitted infections, and unwanted pregnancy. We further recommend that discussion about sexting and its associated risk behavior be included in school-based sexual health curricula. PMID:22987882

  14. Culture but not gender modulates amygdala activation during explicit emotion recognition

    PubMed Central

    2012-01-01

    Background Mounting evidence indicates that humans have significant difficulties in understanding emotional expressions from individuals of different ethnic backgrounds, leading to reduced recognition accuracy and stronger amygdala activation. However, the impact of gender on the behavioral and neural reactions during the initial phase of cultural assimilation has not been addressed. Therefore, we investigated 24 Asians students (12 females) and 24 age-matched European students (12 females) during an explicit emotion recognition task, using Caucasian facial expressions only, on a high-field MRI scanner. Results Analysis of functional data revealed bilateral amygdala activation to emotional expressions in Asian and European subjects. However, in the Asian sample, a stronger response of the amygdala emerged and was paralleled by reduced recognition accuracy, particularly for angry male faces. Moreover, no significant gender difference emerged. We also observed a significant inverse correlation between duration of stay and amygdala activation. Conclusion In this study we investigated the “alien-effect” as an initial problem during cultural assimilation and examined this effect on a behavioral and neural level. This study has revealed bilateral amygdala activation to emotional expressions in Asian and European females and males. In the Asian sample, a stronger response of the amygdala bilaterally was observed and this was paralleled by reduced performance, especially for anger and disgust depicted by male expressions. However, no gender difference occurred. Taken together, while gender exerts only a subtle effect, culture and duration of stay as well as gender of poser are shown to be relevant factors for emotion processing, influencing not only behavioral but also neural responses in female and male immigrants. PMID:22642400

  15. Spatially Explicit Analysis of Metal Transfer to Biota: Influence of Soil Contamination and Landscape

    PubMed Central

    Fritsch, Clémentine; Cœurdassier, Michaël; Giraudoux, Patrick; Raoul, Francis; Douay, Francis; Rieffel, Dominique; de Vaufleury, Annette; Scheifler, Renaud

    2011-01-01

    Concepts and developments for a new field in ecotoxicology, referred to as “landscape ecotoxicology,” were proposed in the 1990s; however, to date, few studies have been developed in this emergent field. In fact, there is a strong interest in developing this area, both for renewing the concepts and tools used in ecotoxicology as well as for responding to practical issues, such as risk assessment. The aim of this study was to investigate the spatial heterogeneity of metal bioaccumulation in animals in order to identify the role of spatially explicit factors, such as landscape as well as total and extractable metal concentrations in soils. Over a smelter-impacted area, we studied the accumulation of trace metals (TMs: Cd, Pb and Zn) in invertebrates (the grove snail Cepaea sp and the glass snail Oxychilus draparnaudi) and vertebrates (the bank vole Myodes glareolus and the greater white-toothed shrew Crocidura russula). Total and CaCl2-extractable concentrations of TMs were measured in soils from woody patches where the animals were captured. TM concentrations in animals exhibited a high spatial heterogeneity. They increased with soil pollution and were better explained by total rather than CaCl2-extractable TM concentrations, except in Cepaea sp. TM levels in animals and their variations along the pollution gradient were modulated by the landscape, and this influence was species and metal specific. Median soil metal concentrations (predicted by universal kriging) were calculated in buffers of increasing size and were related to bioaccumulation. The spatial scale at which TM concentrations in animals and soils showed the strongest correlations varied between metals, species and landscapes. The potential underlying mechanisms of landscape influence (community functioning, behaviour, etc.) are discussed. Present results highlight the need for the further development of landscape ecotoxicology and multi-scale approaches, which would enhance our understanding of

  16. Communication: A new class of non-empirical explicit density functionals on the third rung of Jacob’s ladder

    SciTech Connect

    Silva, Piotr de Corminboeuf, Clémence

    2015-09-21

    We construct an orbital-free non-empirical meta-generalized gradient approximation (GGA) functional, which depends explicitly on density through the density overlap regions indicator [P. de Silva and C. Corminboeuf, J. Chem. Theory Comput. 10, 3745 (2014)]. The functional does not depend on either the kinetic energy density or the density Laplacian; therefore, it opens a new class of meta-GGA functionals. By construction, our meta-GGA yields exact exchange and correlation energy for the hydrogen atom and recovers the second order gradient expansion for exchange in the slowly varying limit. We show that for molecular systems, overall performance is better than non-empirical GGAs. For atomization energies, performance is on par with revTPSS, without any dependence on Kohn-Sham orbitals.

  17. Physiological correlates of mental workload

    NASA Technical Reports Server (NTRS)

    Zacharias, G. L.

    1980-01-01

    A literature review was conducted to assess the basis of and techniques for physiological assessment of mental workload. The study findings reviewed had shortcomings involving one or more of the following basic problems: (1) physiologic arousal can be easily driven by nonworkload factors, confounding any proposed metric; (2) the profound absence of underlying physiologic models has promulgated a multiplicity of seemingly arbitrary signal processing techniques; (3) the unspecified multidimensional nature of physiological "state" has given rise to a broad spectrum of competing noncommensurate metrics; and (4) the lack of an adequate definition of workload compels physiologic correlations to suffer either from the vagueness of implicit workload measures or from the variance of explicit subjective assessments. Using specific studies as examples, two basic signal processing/data reduction techniques in current use, time and ensemble averaging are discussed.

  18. Implicit and explicit attitudes toward gay males and lesbians among heterosexual males and females.

    PubMed

    Breen, Amanda B; Karpinski, Andrew

    2013-01-01

    In this article, we examined explicit and implicit attitudes toward gay males and lesbians using the Single Category IAT (SC-IAT). In Study 1, we examined attitudes toward gay people in general. Participants reported positive explicit attitudes and neutral implicit attitudes toward gay people. In Study 2, we examined implicit and explicit attitudes toward gay men and lesbians separately. Participants rated gay men and lesbians positively on explicit attitude measures. Analysis of SC-IAT scores revealed neutral associations with gay men and positive associations with lesbians. As a secondary goal, we also tested the Balanced Identity Theory in both studies and did not find evidence of balance between implicit sexual orientation attitudes, implicit sexual identity, and implicit self-esteem using the SC-IAT.

  19. [Explicit and implicit attitudes toward standard-Japanese and Osaka-dialect language use].

    PubMed

    Watanabe, Takumi; Karasawa, Kaori

    2013-04-01

    This article examines the effects of language use on explicit and implicit attitudes. We employed the matched-guise technique to measure participants' impressions of standard-Japanese and Osaka-dialect speakers. Implicit attitudes were assessed by the Implicit Association Test (IAT). The Osaka-dialect speaker was evaluated as warmer than the standard-Japanese speaker, suggesting that explicit attitudes toward the Osaka dialect have changed positively. On the other hand, the results for the impression of intelligence were consistent with the previous literature that the standard-Japanese speaker was seen as more intelligent than the Osaka-dialect speaker. Compared with explicit attitudes, the analyses of implicit attitudes revealed that participants showed a consistent implicit bias favoring standard-Japanese language use. The changing processes and relationships of explicit and implicit attitudes were discussed.

  20. Sport fans: evaluating the consistency between implicit and explicit attitudes toward favorite and rival teams.

    PubMed

    Wenger, Jay L; Brown, Roderick O

    2014-04-01

    Sport fans often foster very positive attitudes for their favorite teams and less favorable attitudes for opponents. The current research was designed to evaluate the consistency that might exist between implicit and explicit measures of those attitudes. College students (24 women, 16 men) performed a version of the Implicit Association Test related to their favorite and rival teams. Participants also reported their attitudes for these teams explicitly, via self-report instruments. When responding to the IAT, participants' responses were faster when they paired positive words with concepts related to favorite teams and negative words with rival teams, indicating implicit favorability for favorite teams and implicit negativity for rival teams. This pattern of implicit favorability and negativity was consistent with what participants reported explicitly via self-report. The importance of evaluating implicit attitudes and the corresponding consistency with explicit attitudes are discussed.

  1. Associative and propositional processes in evaluation: an integrative review of implicit and explicit attitude change.

    PubMed

    Gawronski, Bertram; Bodenhausen, Galen V

    2006-09-01

    A central theme in recent research on attitudes is the distinction between deliberate, "explicit" attitudes and automatic, "implicit" attitudes. The present article provides an integrative review of the available evidence on implicit and explicit attitude change that is guided by a distinction between associative and propositional processes. Whereas associative processes are characterized by mere activation independent of subjective truth or falsity, propositional reasoning is concerned with the validation of evaluations and beliefs. The proposed associative-propositional evaluation (APE) model makes specific assumptions about the mutual interplay of the 2 processes, implying several mechanisms that lead to symmetric or asymmetric changes in implicit and explicit attitudes. The model integrates a broad range of empirical evidence and implies several new predictions for implicit and explicit attitude change.

  2. Mood and trust in intuition interactively orchestrate correspondence between implicit and explicit attitudes.

    PubMed

    Huntsinger, Jeffrey R

    2011-09-01

    The goal of the current research was to subject the prediction that affect and trust in intuition would interactively shape implicit and explicit attitude correspondence to empirical assessment. In four experiments, either trust versus distrust in intuition was measured or manipulated and positive or negative moods were induced. The outcome of interest was correspondence between implicit and explicit academic attitudes (Experiments 1-2) and self-attitudes (Experiments 3-4). As predicted, affect served as information about chronically or temporarily accessible tendencies to trust or distrust their intuitions, with positive affect validating and negative affect invalidating such tendencies, which in turn shaped correspondence between implicit and explicit attitudes. By drawing together these two seemingly unrelated lines of research, these experiments provide important insights into the sometimes mysterious circumstances in which implicit attitudes are translated into explicit attitude reports.

  3. Implicit and explicit attitudes toward rape are associated with sexual aggression.

    PubMed

    Nunes, Kevin L; Hermann, Chantal A; Ratcliffe, Katie

    2013-09-01

    We examined the relationship between self-reported sexual aggression and implicit and explicit attitudes towards rape in a sample of 86 male heterosexual university students. Large, significant group differences were found between the most sexually aggressive participants and the nonaggressive participants, with the most sexually aggressive group showing less negative implicit and explicit attitudes towards rape (Cohen's d=0.76-1.20). Implicit and explicit attitudes provided complementary information such that together they were more strongly associated with sexual aggression than on their own. The current findings suggest that implicit and explicit attitudes towards rape are associated with sexual aggression. In addition to the broader set of cognitions that appear to be assessed by most self-report measures, the narrower construct of attitudes towards rape may be a fruitful avenue of further exploration for research, assessment, and treatment of sexual aggression.

  4. Associations between visual attention, implicit and explicit attitude and behaviour for physical activity.

    PubMed

    Calitri, Raff; Lowe, Rob; Eves, Frank F; Bennett, Paul

    2009-11-01

    The current study explored associations between previous physical activity and both implicit and explicit attitudes, as well as visual attention and activity motivation (intention). Analyses were performed on participants initially unaware of the physical activity focus of the study (N = 98). Higher levels of physical activity were associated with positive implicit attitudes and an attentional bias towards exercise cues. There was a quadratic ('U' shaped) relationship between implicit attitude and attention: the more extreme individuals' implicit attitudes towards exercise (positive or negative) the greater their attentional bias to exercise cues. Furthermore, explicit attitude moderated the relationship between attentional bias and physical activity: attentional bias to exercise cues was associated with higher levels of physical activity only for those who had a strong positive explicit attitude. Findings suggested that implicit cognitions are linked with previous physical activity. Future research should consider strategies for strengthening positive implicit and explicit attitudes and directing attention to cues signalling healthy behaviour.

  5. The influence of vertical motor responses on explicit and incidental processing of power words.

    PubMed

    Jiang, Tianjiao; Sun, Lining; Zhu, Lei

    2015-07-01

    There is increasing evidence demonstrating that power judgment is affected by vertical information. Such interaction between vertical space and power (i.e., response facilitation under space-power congruent conditions) is generally elicited in paradigms that require participants to explicitly evaluate the power of the presented words. The current research explored the possibility that explicit evaluative processing is not a prerequisite for the emergence of this effect. Here we compared the influence of vertical information on a standard explicit power evaluation task with influence on a task that linked power with stimuli in a more incidental manner, requiring participants to report whether the words represented people or animals or the font of the words. The results revealed that although the effect is more modest, the interaction between responses and power is also evident in an incidental task. Furthermore, we also found that explicit semantic processing is a prerequisite to ensure such an effect.

  6. Explicit synchronisation of heterogeneous dynamics networks via three-layer communication framework

    NASA Astrophysics Data System (ADS)

    Wang, Bohui; Wang, Jingcheng; Zhang, Langwen; Zhang, Bin

    2016-06-01

    This paper addresses the explicit synchronisation of heterogeneous dynamics networks via three-layer communication framework. The main contribution is to propose an explicit synchronisation algorithm, in which the synchronisation errors of all the agents are decoupled. By constructing a three-layer node model, the proposed algorithm removes the assumptions that the topology is fixed and the synchronisation process is coupled. By introducing appropriate assumptions, the algorithm leads to a class of explicit synchronisation protocols based on the states of agents in different layers. It is proved in the sense of Lyapunov that, if the dwell time is larger than a threshold, the explicit synchronisation can be achieved for closed-loop heterogeneous dynamics networks under switching topologies. The results are further extended to the cases in which the switching topologies are only frequently but not always connected. Simulation results are presented with four single-link manipulators to verify the theoretical analysis.

  7. Dealing with Sexually Explicit Language or Subject Matter in Literature (The Round Table).

    ERIC Educational Resources Information Center

    Brooker, Gerard T.; And Others

    1993-01-01

    Presents four responses from practicing teachers and four responses from high school students to the question, "What principles do you apply in selecting, discussing, and recommending contemporary literature that has sexually explicit language or subject matter?" (HB)

  8. Implicit motives, explicit traits, and task and contextual performance at work.

    PubMed

    Lang, Jonas W B; Zettler, Ingo; Ewen, Christian; Hülsheger, Ute R

    2012-11-01

    Personality psychologists have long argued that explicit traits (as measured by questionnaires) channel the expression of implicit motives (as measured by coding imaginative verbal behavior) such that both interact in the prediction of relevant life outcome variables. In the present research, we apply these ideas in the context of industrial and organizational psychology and propose that 2 explicit traits work as channels for the expression of 3 core implicit motives in task and contextual job performance (extraversion for implicit affiliation and implicit power; explicit achievement for implicit achievement). As a test of these theoretical ideas, we report a study in which employees (N = 241) filled out a questionnaire booklet and worked on an improved modern implicit motive measure, the operant motive test. Their supervisors rated their task and contextual performance. Results support 4 of the 6 theoretical predictions and show that interactions between implicit motives and explicit traits increase the explained criterion variance in both task and contextual performance. PMID:22867444

  9. Implicit and explicit social mentalizing: dual processes driven by a shared neural network

    PubMed Central

    Van Overwalle, Frank; Vandekerckhove, Marie

    2013-01-01

    Recent social neuroscientific evidence indicates that implicit and explicit inferences on the mind of another person (i.e., intentions, attributions or traits), are subserved by a shared mentalizing network. Under both implicit and explicit instructions, ERP studies reveal that early inferences occur at about the same time, and fMRI studies demonstrate an overlap in core mentalizing areas, including the temporo-parietal junction (TPJ) and the medial prefrontal cortex (mPFC). These results suggest a rapid shared implicit intuition followed by a slower explicit verification processes (as revealed by additional brain activation during explicit vs. implicit inferences). These data provide support for a default-adjustment dual-process framework of social mentalizing. PMID:24062663

  10. Explicit and implicit emotional processing in peripheral vision: A saccadic choice paradigm.

    PubMed

    D'Hondt, Fabien; Szaffarczyk, Sébastien; Sequeira, Henrique; Boucart, Muriel

    2016-09-01

    We investigated explicit and implicit emotional processing in peripheral vision using saccadic choice tasks. Emotional-neutral pairs of scenes were presented peripherally either at 10, 30 or 60° away from fixation. The participants had to make a saccadic eye movement to the target scene: emotional vs neutral in the explicit task, and oval vs rectangular in the implicit task. In the explicit task, pleasant scenes were reliably categorized as emotional up to 60° while performance for unpleasant scenes decreased between 10° and 30° and did not differ from chance at 60°. Categorization of neutral scenes did not differ from chance. Performance in the implicit task was significantly better for emotional targets than for neutral targets at 10° and this beneficial effect of emotion persisted only for pleasant scenes at 30°. Thus, these findings show that explicit and implicit emotional processing in peripheral vision depends on eccentricity and valence of stimuli.

  11. Explicit Comprehension Instruction: A Review of Research and a New Conceptualization of Instruction.

    ERIC Educational Resources Information Center

    Pearson, P. David; Dole, Janice A.

    1987-01-01

    Reviews representative instructional studies of inference training, reciprocal teaching, and process training. Discusses both the concept of explicit comprehension instruction and potential difficulties in classroom implementation. Raises two important curricular concerns. (NH)

  12. A comparison of iterative explicit guidance algorithms for space launch vehicles

    NASA Astrophysics Data System (ADS)

    Song, Eun-Jung; Cho, Sangbum; Roh, Woong-Rae

    2015-01-01

    This paper analyzes and compares the performance of two prominent explicit guidance algorithms: the iterative guidance mode and the powered explicit guidance. We performed a series of numerical simulations of a space launch vehicle model for both nominal and off-nominal conditions. One of our findings is that if we take into account the originally ignored higher-order terms from the guidance parameters of the iterative guidance mode for a long-range flight, the guidance performance can be enhanced to a level comparable to that of the powered explicit guidance. These higher-order terms can be included by employing an iterative predictor-corrector method like the powered explicit guidance. Also we proposed a remedy of preventing relatively earlier divergence of the guidance commands with the predictor-corrector iteration than that of the linear differential corrector approach by making a better initial guess.

  13. Discrepancies between explicit and implicit self-esteem: implications for mate retention strategies and perceived infidelity.

    PubMed

    Zeigler-Hill, Virgil; Fulton, Jessica J; McLemore, Chandler

    2012-01-01

    The purpose of the present study was to examine whether the association between explicit self-esteem and relationship outcomes was moderated by implicit self-esteem. This was accomplished by asking 210 undergraduates who were currently involved in romantic relationships to complete measures of their explicit self-esteem, implicit self-esteem, mate retention strategies, and likelihood of future infidelity. Implicit self-esteem was found to moderate the association between high explicit self-esteem and relationship outcomes for male participants such that men with discrepant high self-esteem (i.e., high explicit self-esteem but low implicit self-esteem) reported less use of mate retention strategies and perceived a greater likelihood of future infidelity in their relationships during the next year. These findings provide additional support for the idea that fragile self-esteem may have consequences for the manner in which individuals perceive their relationships.

  14. Operational calculus approach to explicit solving of initial and boundary value problems

    NASA Astrophysics Data System (ADS)

    Dimovski, I.; Spiridonova, M.

    2015-05-01

    Short review of an approach to explicit solving of initial and boundary value problems (BVPs) for some partial differential equations (PDEs) is presented. A combination of two classical methods—the Fourier method and the Duhamel principle—are used in the frames of a two-dimensional operational calculus suggested in [1]. It gives explicit solutions of some local and non-local BVPs for the classical equations of Mathematical Physics in rectangular domains.

  15. Explicit drain current model of junctionless double-gate field-effect transistors

    NASA Astrophysics Data System (ADS)

    Yesayan, Ashkhen; Prégaldiny, Fabien; Sallese, Jean-Michel

    2013-11-01

    This paper presents an explicit drain current model for the junctionless double-gate metal-oxide-semiconductor field-effect transistor. Analytical relationships for the channel charge densities and for the drain current are derived as explicit functions of applied terminal voltages and structural parameters. The model is validated with 2D numerical simulations for a large range of channel thicknesses and is found to be very accurate for doping densities exceeding 1018 cm-3, which are actually used for such devices.

  16. Explicit symplectic algorithms based on generating functions for charged particle dynamics.

    PubMed

    Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan

    2016-07-01

    Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H(x,p)=p_{i}f(x) or H(x,p)=x_{i}g(p). Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency. PMID:27575228

  17. Patterns of implicit and explicit attitudes in children and adults: tests in the domain of religion.

    PubMed

    Heiphetz, Larisa; Spelke, Elizabeth S; Banaji, Mahzarin R

    2013-08-01

    Among the most replicated results in social cognition is the split between explicit and implicit attitudes; adults demonstrate weaker group-based preferences on explicit rather than implicit measures. However, the developmental origins of this pattern remain unclear. If implicit attitudes develop over a protracted period of time, children should not demonstrate the implicit preferences observed among adults. Additionally, unlike adults, children may report group-based preferences due to their lesser concern with social desirability. In Study 1, Christian adults showed the expected pattern of robust implicit preference but no explicit preference. In 4 additional experiments, 6- to 8-year-old children whose parents identified them as Christian viewed characters described as belonging to 2 starkly different religious groups ("strong religious difference") or 2 relatively similar religious groups ("weak religious difference"). Participants then completed explicit and implicit (IAT) measures of attitude toward Christians and either Hindus (Study 2) or Jews (Studies 3-5). Three main results emerged. First, like adults, children showed significant implicit pro-Christian preferences across all studies. Second, unlike adults, children in the "strong religious difference" case reported preferences of approximately the same magnitude as their implicit attitudes (i.e., no dissociation). Third, even in the "weak religious difference" case, children showed implicit pro-Christian preferences (although, like adults, their explicit attitudes were not sensitive to intergroup difference). These data suggest that the seeds of implicit religious preferences are sown early and that children's explicit preferences are influenced by the social distance between groups.

  18. The emotional paradox: dissociation between explicit and implicit processing of emotional prosody in schizophrenia.

    PubMed

    Roux, P; Christophe, A; Passerieux, C

    2010-10-01

    People with schizophrenia show well-replicated deficits on tasks of explicit recognition of emotional prosody. However it remains unclear whether they are still sensitive to the implicit cues of emotional prosody, particularly when they exhibit high levels of social anhedonia. A dual processing model suggesting a dissociation between the neural networks involved in explicit and implicit recognition of emotional prosody has yet to be validated. 21 participants with schizophrenia and 21 controls were recruited. In the explicit recognition task, individuals listened to semantically neutral words pronounced with two different emotions and judged their emotional prosody. In the vocal emotional Stroop task, patients and controls listened to words with a positive or negative emotional valence pronounced with congruent or incongruent emotional prosody and judged their emotional content. Patients were also assessed with the Chapman Anhedonia Questionnaire and the Schizophrenic Communication Disorders scale. Individuals with schizophrenia were impaired in their explicit recognition of emotional prosody related to controls. In contrast, they showed a vocal emotional Stroop effect that was identical to controls for reaction time and greater for accuracy: patients were still sensitive to implicit emotional prosody. In addition the vocal emotional Stroop score increased with social anhedonia but was unrelated to communication disorders. Whereas explicit vocal affect recognition is impaired, implicit processing of emotional prosody seems to be preserved in schizophrenia. Our results provide evidence that at a behavioural level, the implicit and explicit processing of emotional prosody can be dissociated. Remediation of emotional prosody recognition in schizophrenia should target cognitive rather than sensory processes.

  19. An explicit time-domain approach for sensitivity analysis of non-stationary random vibration problems

    NASA Astrophysics Data System (ADS)

    Hu, Zhiqiang; Su, Cheng; Chen, Taicong; Ma, Haitao

    2016-11-01

    This paper presents an explicit time-domain method for sensitivity analysis of structural responses under non-stationary random excitations. Based on time-domain explicit expressions of dynamic responses, a new and more concise time-domain explicit expression of response sensitivity is derived using the direct differentiation method (DDM). Then a more efficient algorithm for direct construction of the explicit expression of response sensitivity is developed based on the physical meanings of the coefficient matrices in the formulation. The adjoint variable method (AVM) is further used to establish the explicit expression of the sensitivity of an arbitrary response. Finally, based on the time-domain explicit expressions for both dynamic response and its sensitivity, an efficient time-domain approach is proposed to calculate the sensitivity of variance responses of a structure subjected to non-stationary random excitations. Numerical examples of different structural systems under non-stationary random excitations are presented to demonstrate the accuracy and efficiency of the proposed method.

  20. Explicit symplectic algorithms based on generating functions for charged particle dynamics

    NASA Astrophysics Data System (ADS)

    Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan

    2016-07-01

    Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H (x ,p ) =pif (x ) or H (x ,p ) =xig (p ) . Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.