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Sample records for atomic-orbital formalism suitable

  1. Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling.

    PubMed

    Kjaergaard, Thomas; Jørgensen, Poul; Olsen, Jeppe; Coriani, Sonia; Helgaker, Trygve

    2008-08-07

    We present a second-quantization based atomic-orbital method for the computation of time-dependent response functions within Hartree-Fock and Kohn-Sham density-functional theories. The method is suited for linear scaling. Illustrative results are presented for excitation energies, one- and two-photon transition moments, polarizabilities, and hyperpolarizabilities for hexagonal BN sheets with up to 180 atoms.

  2. Atomic orbitals of the nonrelativistic hydrogen atom in a four-dimensional Riemann space through the path integral formalism

    SciTech Connect

    Grinberg, H.; Maranon, J.; Vucetich, H.

    1983-01-15

    The Kustaanheimo--Stiefel transformation together with the well-known expansion of the kernel of an isotropic harmonic oscillator is used to generate the atomic orbitals of the nonrelativistic hydrogen atom in a four-dimensional Riemann space through the path integral formalism. Group theoretical implications of the present problem are briefly discussed.

  3. Fully relativistic pseudopotential formalism under an atomic orbital basis: spin-orbit splittings and magnetic anisotropies.

    PubMed

    Cuadrado, R; Cerdá, J I

    2012-02-29

    We present an efficient implementation of the spin-orbit coupling within the density functional theory based SIESTA code (2002 J. Phys.: Condens. Matter 14 2745) using the fully relativistic and totally separable pseudopotential formalism of Hemstreet et al (1993 Phys. Rev. B 47 4238). First, we obtain the spin-orbit splittings for several systems ranging from isolated atoms to bulk metals and semiconductors as well as the Au(111) surface state. Next, and after extensive tests on the accuracy of the formalism, we also demonstrate its capability to yield reliable values for the magnetic anisotropy energy in magnetic systems. In particular, we focus on the L1(0) binary alloys and on two large molecules: Mn(6)O(2)(H -sao)(6)(O(2)CH)(2)(CH(3)OH)(4) and Co(4)(hmp)(4)(CH(3)OH)(4)Cl(4). In all cases our calculated anisotropies are in good agreement with those obtained with full-potential methods, despite the latter being, in general, computationally more demanding.

  4. The atomic orbitals of the topological atom.

    PubMed

    Ramos-Cordoba, Eloy; Salvador, Pedro; Mayer, István

    2013-06-07

    The effective atomic orbitals have been realized in the framework of Bader's atoms in molecules theory for a general wavefunction. This formalism can be used to retrieve from any type of calculation a proper set of orthonormalized numerical atomic orbitals, with occupation numbers that sum up to the respective Quantum Theory of Atoms in Molecules (QTAIM) atomic populations. Experience shows that only a limited number of effective atomic orbitals exhibit significant occupation numbers. These correspond to atomic hybrids that closely resemble the core and valence shells of the atom. The occupation numbers of the remaining effective orbitals are almost negligible, except for atoms with hypervalent character. In addition, the molecular orbitals of a calculation can be exactly expressed as a linear combination of this orthonormalized set of numerical atomic orbitals, and the Mulliken population analysis carried out on this basis set exactly reproduces the original QTAIM atomic populations of the atoms. Approximate expansion of the molecular orbitals over a much reduced set of orthogonal atomic basis functions can also be accomplished to a very good accuracy with a singular value decomposition procedure.

  5. Real and Hybrid Atomic Orbitals.

    ERIC Educational Resources Information Center

    Cook, D. B.; Fowler, P. W.

    1981-01-01

    Demonstrates that the Schrodinger equation for the hydrogenlike atom separates in both spheroconal and prolate spheroidal coordinates and that these separations provide a sound theoretical basis for the real and hybrid atomic orbitals. (Author/SK)

  6. Real and Hybrid Atomic Orbitals.

    ERIC Educational Resources Information Center

    Cook, D. B.; Fowler, P. W.

    1981-01-01

    Demonstrates that the Schrodinger equation for the hydrogenlike atom separates in both spheroconal and prolate spheroidal coordinates and that these separations provide a sound theoretical basis for the real and hybrid atomic orbitals. (Author/SK)

  7. Using Atomic Orbitals and Kinesthetic Learning to Authentically Derive Molecular Stretching Vibrations

    ERIC Educational Resources Information Center

    Bridgeman, Adam J.; Schmidt, Timothy W.; Young, Nigel A.

    2013-01-01

    The stretching modes of ML[subscript "x"] complexes have the same symmetry as the atomic orbitals on M that are used to form its s bonds. In the exercise suggested here, the atomic orbitals are used to derive the form of the stretching modes without the need for formal group theory. The analogy allows students to help understand many…

  8. Using Atomic Orbitals and Kinesthetic Learning to Authentically Derive Molecular Stretching Vibrations

    ERIC Educational Resources Information Center

    Bridgeman, Adam J.; Schmidt, Timothy W.; Young, Nigel A.

    2013-01-01

    The stretching modes of ML[subscript "x"] complexes have the same symmetry as the atomic orbitals on M that are used to form its s bonds. In the exercise suggested here, the atomic orbitals are used to derive the form of the stretching modes without the need for formal group theory. The analogy allows students to help understand many…

  9. Electronic structure interpolation via atomic orbitals.

    PubMed

    Chen, Mohan; Guo, G-C; He, Lixin

    2011-08-17

    We present an efficient scheme for accurate electronic structure interpolation based on systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis calculations and the converged plane wave basis calculations on some coarse k-point grid. They are then used to calculate the band structure of the full Brillouin zone using the linear combination of atomic orbitals algorithms. We find that usually 16-25 orbitals per atom can give an accuracy of about 10 meV compared to the full ab initio calculations, and the accuracy can be systematically improved by using more atomic orbitals. The scheme is easy to implement and robust, and works equally well for metallic systems and systems with complicated band structures. Furthermore, the atomic orbitals have much better transferability than Shirley's basis and Wannier functions, which is very useful for perturbation calculations.

  10. A New Way of Presenting Atomic Orbitals

    ERIC Educational Resources Information Center

    Bordass, W. T.; Linnett, J. W.

    1970-01-01

    Describes how the isometric projection with a transparent grid showing the x, y, and z axes drawn at 120 degrees each other is used. This method of presenting atomic orbitals was developed using the Cambridge University Titan computer and has the advantage over contour maps in that there is no distortion. (LS)

  11. Keeping Track of Directions of Atomic Orbitals.

    ERIC Educational Resources Information Center

    Talaty, Erach R.

    1990-01-01

    Illustrated is the usefulness of keeping track of the directions of atomic orbitals in predicting the shapes of molecules. The application of this technique to all cumulenes and its use in the determination of aromaticity in cyclic systems is discussed. (KR)

  12. Is It Time to Retire the Hybrid Atomic Orbital?

    ERIC Educational Resources Information Center

    Grushow, Alexander

    2011-01-01

    A rationale for the removal of the hybrid atomic orbital from the chemistry curriculum is examined. Although the hybrid atomic orbital model does not accurately predict spectroscopic energies, many chemical educators continue to use and teach the model despite the confusion it can cause for students. Three arguments for retaining the model in the…

  13. Is It Time to Retire the Hybrid Atomic Orbital?

    ERIC Educational Resources Information Center

    Grushow, Alexander

    2011-01-01

    A rationale for the removal of the hybrid atomic orbital from the chemistry curriculum is examined. Although the hybrid atomic orbital model does not accurately predict spectroscopic energies, many chemical educators continue to use and teach the model despite the confusion it can cause for students. Three arguments for retaining the model in the…

  14. Translation and integration of numerical atomic orbitals in linear molecules

    SciTech Connect

    Heinäsmäki, Sami

    2014-02-14

    We present algorithms for translation and integration of atomic orbitals for LCAO calculations in linear molecules. The method applies to arbitrary radial functions given on a numerical mesh. The algorithms are based on pseudospectral differentiation matrices in two dimensions and the corresponding two-dimensional Gaussian quadratures. As a result, multicenter overlap and Coulomb integrals can be evaluated effectively.

  15. Atomic orbital-based SOS-MP2 with tensor hypercontraction. I. GPU-based tensor construction and exploiting sparsity

    NASA Astrophysics Data System (ADS)

    Song, Chenchen; Martínez, Todd J.

    2016-05-01

    We present a tensor hypercontracted (THC) scaled opposite spin second order Møller-Plesset perturbation theory (SOS-MP2) method. By using THC, we reduce the formal scaling of SOS-MP2 with respect to molecular size from quartic to cubic. We achieve further efficiency by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs) to accelerate integral construction and matrix multiplication. The practical scaling of GPU-accelerated atomic orbital-based THC-SOS-MP2 calculations is found to be N2.6 for reference data sets of water clusters and alanine polypeptides containing up to 1600 basis functions. The errors in correlation energy with respect to density-fitting-SOS-MP2 are less than 0.5 kcal/mol for all systems tested (up to 162 atoms).

  16. Natural atomic orbital based energy density analysis: Implementation and applications

    NASA Astrophysics Data System (ADS)

    Baba, Takeshi; Takeuchi, Mari; Nakai, Hiromi

    2006-06-01

    We present an improvement of energy density analysis (EDA), which partitions the total energy obtained by Hartree-Fock and/or density functional theory calculations, with the use of the natural atomic orbital (NAO) [A.E. Reed et al., J. Chem. Phys. 83 (1985) 735] and Löwdin's symmetric-orthogonal orbital (LSO). The present NAO- and LSO-EDA schemes are applied to analyses of CO 2 and Li9+ with various basis sets. Numerical results confirm that NAO-EDA exhibits less basis-set dependence, while the conventional results are very sensitive to the adopted basis sets.

  17. Antihydrogen-hydrogen elastic scattering at thermal energies using an atomic-orbital technique

    SciTech Connect

    Sinha, Prabal K.; Chaudhuri, Puspitapallab; Ghosh, A.S.

    2003-05-01

    In view of the recent interest in the trapping of antihydrogen atom H(bar sign), at very low temperatures, H-bar-H scattering has been investigated at low incident energies using a close-coupling model with the basis set H-bar(1s,2s,2p-bar)+H(1s,2s,2p-bar). The predicted s-wave elastic phase shifts, scattering length, and effective range are in a good agreement with the other recent predictions of Jonsell et al. and of Armour and Chamberlain. The results indicate that the atomic orbital expansion model is suitable to study the H-bar-H scattering at ultracold temperatures.

  18. Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models

    NASA Astrophysics Data System (ADS)

    Bast, Radovan; Thorvaldsen, Andreas J.; Ringholm, Magnus; Ruud, Kenneth

    2009-02-01

    We present the first analytic calculations of the second hyperpolarizability in a relativistic framework. The calculations are made possible by our recent developments of a response theory built on a quasienergy formalism, in which the basis set may be both time and perturbation dependent. The approach is formulated for an arbitrary self-consistent field state in the atomic orbital basis. The implementation consists of a stand-alone code that only requires the unperturbed density in the atomic orbital basis as input, as well as a linear response solver by which we can determine the perturbed density matrices to different orders, at each new order solving equations that have the same structure as the linear response equation. Using these features of our formalism, we extend in this paper our approach to the relativistic domain, utilizing both two- and four-component relativistic wave functions. We apply the formalism to the calculation of the electronic and pure vibrational contributions to the second hyperpolarizability tensor for the hydrogen halides. Our results demonstrate that relativistic effects can be substantial for frequency-dependent second hyperpolarizabilities. Due to changes in the pole structure when going to the relativistic domain, the relativistic corrections to the hyperpolarizabilities are not transferable between different optical processes, except for very low frequencies.

  19. Visualizing Three-Dimensional Hybrid Atomic Orbitals Using Winplot: An Application for Student Self Instruction

    ERIC Educational Resources Information Center

    Saputra, Andrian; Canaval, Lorentz R.; Sunyono; Fadiawati, Noor; Diawati, Chansyanah; Setyorini, M.; Kadaritna, Nina; Kadaryanto, Budi

    2015-01-01

    Quick and real-time plotting equations using the Winplot software can be employed to create accurate hybrid atomic orbitals without complicated scripting. Performing this task on their own, students can more easily understand and remember hybrid atomic orbitals, in terms of shape and orientation.

  20. Visualizing Three-Dimensional Hybrid Atomic Orbitals Using Winplot: An Application for Student Self Instruction

    ERIC Educational Resources Information Center

    Saputra, Andrian; Canaval, Lorentz R.; Sunyono; Fadiawati, Noor; Diawati, Chansyanah; Setyorini, M.; Kadaritna, Nina; Kadaryanto, Budi

    2015-01-01

    Quick and real-time plotting equations using the Winplot software can be employed to create accurate hybrid atomic orbitals without complicated scripting. Performing this task on their own, students can more easily understand and remember hybrid atomic orbitals, in terms of shape and orientation.

  1. Atomic Orbitals, Molecular Orbitals and Related Concepts: Conceptual Difficulties among Chemistry Students.

    ERIC Educational Resources Information Center

    Tsaparlis, Georgios

    1997-01-01

    Investigates the impact an undergraduate quantum chemistry course has on students' knowledge and understanding of atomic orbitals, molecular orbitals, and related concepts. Analysis reveals that students do not have a clear understanding of these concepts and confuse the various atomic orbital representations. Includes some suggestions and…

  2. Efficient Calculation of Molecular Integrals over London Atomic Orbitals.

    PubMed

    Irons, Tom J P; Zemen, Jan; Teale, Andrew M

    2017-08-08

    The use of London atomic orbitals (LAOs) in a nonperturbative manner enables the determination of gauge-origin invariant energies and properties for molecular species in arbitrarily strong magnetic fields. Central to the efficient implementation of such calculations for molecular systems is the evaluation of molecular integrals, particularly the electron repulsion integrals (ERIs). We present an implementation of several different algorithms for the evaluation of ERIs over Gaussian-type LAOs at arbitrary magnetic field strengths. The efficiencies of generalized McMurchie-Davidson (MD), Head-Gordon-Pople (HGP), and Rys quadrature schemes are compared. For the Rys quadrature implementation, we avoid the use of high precision arithmetic and interpolation schemes in the computation of the quadrature roots and weights, enabling the application of this algorithm seamlessly to a wide range of magnetic fields. The efficiency of each generalized algorithm is compared by numerical application, classifying the ERIs according to their total angular momenta and evaluating their performance for primitive and contracted basis sets. In common with zero-field integral evaluation, no single algorithm is optimal for all angular momenta; thus, a simple mixed scheme is put forward that selects the most efficient approach to calculate the ERIs for each shell quartet. The mixed approach is significantly more efficient than the exclusive use of any individual algorithm.

  3. Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction

    NASA Astrophysics Data System (ADS)

    Song, Chenchen; Martínez, Todd J.

    2017-01-01

    In the first paper of the series [Paper I, C. Song and T. J. Martinez, J. Chem. Phys. 144, 174111 (2016)], we showed how tensor-hypercontracted (THC) SOS-MP2 could be accelerated by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs). This reduced the formal scaling of the SOS-MP2 energy calculation to cubic with respect to system size. The computational bottleneck then becomes the THC metric matrix inversion, which scales cubically with a large prefactor. In this work, the local THC approximation is proposed to reduce the computational cost of inverting the THC metric matrix to linear scaling with respect to molecular size. By doing so, we have removed the primary bottleneck to THC-SOS-MP2 calculations on large molecules with O(1000) atoms. The errors introduced by the local THC approximation are less than 0.6 kcal/mol for molecules with up to 200 atoms and 3300 basis functions. Together with the graphical processing unit techniques and locality-exploiting approaches introduced in previous work, the scaled opposite spin MP2 (SOS-MP2) calculations exhibit O(N2.5) scaling in practice up to 10 000 basis functions. The new algorithms make it feasible to carry out SOS-MP2 calculations on small proteins like ubiquitin (1231 atoms/10 294 atomic basis functions) on a single node in less than a day.

  4. Atomic orbital-based SOS-MP2 with tensor hypercontraction. II. Local tensor hypercontraction.

    PubMed

    Song, Chenchen; Martínez, Todd J

    2017-01-21

    In the first paper of the series [Paper I, C. Song and T. J. Martinez, J. Chem. Phys. 144, 174111 (2016)], we showed how tensor-hypercontracted (THC) SOS-MP2 could be accelerated by exploiting sparsity in the atomic orbitals and using graphical processing units (GPUs). This reduced the formal scaling of the SOS-MP2 energy calculation to cubic with respect to system size. The computational bottleneck then becomes the THC metric matrix inversion, which scales cubically with a large prefactor. In this work, the local THC approximation is proposed to reduce the computational cost of inverting the THC metric matrix to linear scaling with respect to molecular size. By doing so, we have removed the primary bottleneck to THC-SOS-MP2 calculations on large molecules with O(1000) atoms. The errors introduced by the local THC approximation are less than 0.6 kcal/mol for molecules with up to 200 atoms and 3300 basis functions. Together with the graphical processing unit techniques and locality-exploiting approaches introduced in previous work, the scaled opposite spin MP2 (SOS-MP2) calculations exhibit O(N(2.5)) scaling in practice up to 10 000 basis functions. The new algorithms make it feasible to carry out SOS-MP2 calculations on small proteins like ubiquitin (1231 atoms/10 294 atomic basis functions) on a single node in less than a day.

  5. Solution of atomic orbitals in an interpolating wavelet basis

    NASA Astrophysics Data System (ADS)

    Höynälänmaa, Tommi; Rantala, Tapio T.; Ruotsalainen, Keijo

    2004-12-01

    The Schrödinger equation of hydrogenic atoms and the Hartree-Fock equations of some many-electron atoms are solved using interpolating wavelets as basis functions. The nonstandard operator form is used to compute operators in basis sets including multiple resolution levels. We introduce an algorithm for converting matrices from nonstandard operator form to standard operator form. We also consider the different components of the Hamiltonian and Fock operators separately and derive analytic formulas for their evaluation. Extension to many-electron atoms is done within the Hartree-Fock formalism. Convergence of atomic parameters such as orbital eigenvalues with respect to the number of resolution levels is inspected numerically for hydrogenlike atoms (ions) and some light many-electron atoms (helium, lithium, beryllium, neon, sodium, magnesium, and argon).

  6. Atomic-orbital close-coupling calculations for collisions involving fusion relevant highly charged impurity ions using very large basis sets

    SciTech Connect

    Igenbergs, Katharina; Wallerberger, Markus; Schweinzer, Josef; Aumayr, Friedrich

    2012-05-25

    The atomic-orbital close-coupling formalism is a well-known method for the semiclassical treatment of ion-atom collisions. Cross sections for these kinds of collisions are mainly needed in the analysis of certain spectroscopic data from nuclear fusion experiments as well as astrophysical data. We shall outline how the computational implementation can be improved in such a way that collisions involving heavy, highly charged impurity ions, such as Ar{sup 18+} can be treated. Furthermore we show and discuss exemplary results.

  7. QSPR modeling mineral crystal lattice energy by optimal descriptors of the graph of atomic orbitals

    NASA Astrophysics Data System (ADS)

    Toropova, A. P.; Toropov, A. A.; Maksudov, S. Kh.

    2006-09-01

    Models of the crystal lattice of minerals of general formula of A mC n: m, n = 1,2: A = Li, K, Na, Mg, Ca, Mn, Cu, Zn, Sr, Cd, Ba, Hg, Pb, Cs, and Rb ; C = Be, O, F, S, Cl, Br, and I; as a mathematical function of their structure have been constructed. Two elucidations of molecular structure have been used: molecular graph (vertexes are atoms, i.e., Li, Na, K, etc.) and graph of atomic orbitals, GAO (vertexes are atomic orbitals, i.e., 1s 2, 2p 5, 3d 10, etc). Statistical characteristics of the GAO-based models are better.

  8. The Chocolate Shop and Atomic Orbitals: A New Atomic Model Created by High School Students to Teach Elementary Students

    ERIC Educational Resources Information Center

    Liguori, Lucia

    2014-01-01

    Atomic orbital theory is a difficult subject for many high school and beginning undergraduate students, as it includes mathematical concepts not yet covered in the school curriculum. Moreover, it requires certain ability for abstraction and imagination. A new atomic orbital model "the chocolate shop" created "by" students…

  9. The Chocolate Shop and Atomic Orbitals: A New Atomic Model Created by High School Students to Teach Elementary Students

    ERIC Educational Resources Information Center

    Liguori, Lucia

    2014-01-01

    Atomic orbital theory is a difficult subject for many high school and beginning undergraduate students, as it includes mathematical concepts not yet covered in the school curriculum. Moreover, it requires certain ability for abstraction and imagination. A new atomic orbital model "the chocolate shop" created "by" students…

  10. Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians

    NASA Astrophysics Data System (ADS)

    Helmich-Paris, Benjamin; Repisky, Michal; Visscher, Lucas

    2016-07-01

    We present a formulation of Laplace-transformed atomic orbital-based second-order Møller-Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

  11. Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians.

    PubMed

    Helmich-Paris, Benjamin; Repisky, Michal; Visscher, Lucas

    2016-07-07

    We present a formulation of Laplace-transformed atomic orbital-based second-order Møller-Plesset perturbation theory (MP2) energies for two-component Hamiltonians in the Kramers-restricted formalism. This low-order scaling technique can be used to enable correlated relativistic calculations for large molecular systems. We show that the working equations to compute the relativistic MP2 energy differ by merely a change of algebra (quaternion instead of real) from their non-relativistic counterparts. With a proof-of-principle implementation we study the effect of the nuclear charge on the magnitude of half-transformed integrals and show that for light elements spin-free and spin-orbit MP2 energies are almost identical. Furthermore, we investigate the effect of separation of charge distributions on the Coulomb and exchange energy contributions, which show the same long-range decay with the inter-electronic/atomic distance as for non-relativistic MP2. A linearly scaling implementation is possible if the proper distance behavior is introduced to the quaternion Schwarz-type estimates as for non-relativistic MP2.

  12. An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra.

    PubMed

    Goings, Joshua J; Li, Xiaosong

    2016-06-21

    One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entire ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.

  13. Four-component relativistic theory for nuclear magnetic shielding: magnetically balanced gauge-including atomic orbitals.

    PubMed

    Cheng, Lan; Xiao, Yunlong; Liu, Wenjian

    2009-12-28

    It is recognized only recently that the incorporation of the magnetic balance condition is absolutely essential for four-component relativistic theories of magnetic properties. Another important issue to be handled is the so-called gauge problem in calculations of, e.g., molecular magnetic shielding tensors with finite bases. It is shown here that the magnetic balance can be adapted to distributed gauge origins, leading to, e.g., magnetically balanced gauge-including atomic orbitals (MB-GIAOs) in which each magnetically balanced atomic orbital has its own local gauge origin placed on its center. Such a MB-GIAO scheme can be combined with any level of theory for electron correlation. The first implementation is done here at the coupled-perturbed Dirac-Kohn-Sham level. The calculated molecular magnetic shielding tensors are not only independent of the choice of gauge origin but also converge rapidly to the basis set limit. Close inspections reveal that (zeroth order) negative energy states are only important for the expansion of first order electronic core orbitals. Their contributions to the paramagnetism are therefore transferable from atoms to molecule and are essentially canceled out for chemical shifts. This allows for simplifications of the coupled-perturbed equations.

  14. Analytical calculations of frequency-dependent hypermagnetizabilities and Cotton-Mouton constants using London atomic orbitals

    NASA Astrophysics Data System (ADS)

    Thorvaldsen, Andreas J.; Ruud, Kenneth; Rizzo, Antonio; Coriani, Sonia

    2008-10-01

    We present the first gauge-origin-independent, frequency-dependent calculations of the hypermagnetizability anisotropy, which determines the temperature-independent contribution to magnetic-field-induced linear birefringence, the so-called Cotton-Mouton effect. A density-matrix-based scheme for analytical calculations of frequency-dependent molecular properties for self-consistent field models has recently been developed, which is also valid with frequency- and field-dependent basis sets. Applying this scheme to Hartree-Fock wave functions and using London atomic orbitals in order to obtain gauge-origin-independent results, we have calculated the hypermagnetizability anisotropy. Our results show that the use of London orbitals leads to somewhat better basis-set convergence for the hypermagnetizability compared to conventional basis sets and that London orbitals are mandatory in order to obtain reliable magnetizability anisotropies.

  15. Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework

    SciTech Connect

    Berger, Daniel Oberhofer, Harald; Reuter, Karsten; Logsdail, Andrew J. Farrow, Matthew R.; Catlow, C. Richard A.; Sokol, Alexey A.; Sherwood, Paul; Blum, Volker

    2014-07-14

    We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding quantum and molecular mechanical (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential functionality into FHI-aims to describe cations at the QM/MM boundary through effective core potentials and therewith prevent spurious overpolarization of the electronic density. Based on numeric atomic orbital basis sets, FHI-aims offers particularly efficient access to exact exchange and second order perturbation theory, rendering the established QM/MM setup an ideal tool for hybrid and double-hybrid level density functional theory calculations of solid systems. We illustrate this capability by calculating the reduction potential of Fe in the Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for (photo-)catalytic water oxidation at TiO{sub 2}(110)

  16. Linear scaling coupled cluster and perturbation theories in the atomic orbital basis

    NASA Astrophysics Data System (ADS)

    Scuseria, Gustavo E.; Ayala, Philippe Y.

    1999-11-01

    We present a reformulation of the coupled cluster equations in the atomic orbital (AO) basis that leads to a linear scaling algorithm for large molecules. Neglecting excitation amplitudes in a screening process designed to achieve a target energy accuracy, we obtain an AO coupled cluster method which is competitive in terms of number of amplitudes with the traditional molecular orbital (MO) solution, even for small molecules. For large molecules, the decay properties of integrals and excitation amplitudes becomes evident and our AO method yields a linear scaling algorithm with respect to molecular size. We present benchmark calculations to demonstrate that our AO reformulation of the many-body electron correlation problem defeats the "exponential scaling wall" that has characterized high-level MO quantum chemistry calculations for many years.

  17. Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework.

    PubMed

    Berger, Daniel; Logsdail, Andrew J; Oberhofer, Harald; Farrow, Matthew R; Catlow, C Richard A; Sherwood, Paul; Sokol, Alexey A; Blum, Volker; Reuter, Karsten

    2014-07-14

    We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding quantum and molecular mechanical (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential functionality into FHI-aims to describe cations at the QM/MM boundary through effective core potentials and therewith prevent spurious overpolarization of the electronic density. Based on numeric atomic orbital basis sets, FHI-aims offers particularly efficient access to exact exchange and second order perturbation theory, rendering the established QM/MM setup an ideal tool for hybrid and double-hybrid level density functional theory calculations of solid systems. We illustrate this capability by calculating the reduction potential of Fe in the Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for (photo-)catalytic water oxidation at TiO2(110).

  18. 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.

  19. Mapping Atomic Orbitals with the Transmission Electron Microscope: Images of Defective Graphene Predicted from First-Principles Theory

    NASA Astrophysics Data System (ADS)

    Pardini, Lorenzo; Löffler, Stefan; Biddau, Giulio; Hambach, Ralf; Kaiser, Ute; Draxl, Claudia; Schattschneider, Peter

    2016-07-01

    Transmission electron microscopy has been a promising candidate for mapping atomic orbitals for a long time. Here, we explore its capabilities by a first-principles approach. For the example of defected graphene, exhibiting either an isolated vacancy or a substitutional nitrogen atom, we show that three different kinds of images are to be expected, depending on the orbital character. To judge the feasibility of visualizing orbitals in a real microscope, the effect of the optics' aberrations is simulated. We demonstrate that, by making use of energy filtering, it should indeed be possible to map atomic orbitals in a state-of-the-art transmission electron microscope.

  20. Mapping Atomic Orbitals with the Transmission Electron Microscope: Images of Defective Graphene Predicted from First-Principles Theory.

    PubMed

    Pardini, Lorenzo; Löffler, Stefan; Biddau, Giulio; Hambach, Ralf; Kaiser, Ute; Draxl, Claudia; Schattschneider, Peter

    2016-07-15

    Transmission electron microscopy has been a promising candidate for mapping atomic orbitals for a long time. Here, we explore its capabilities by a first-principles approach. For the example of defected graphene, exhibiting either an isolated vacancy or a substitutional nitrogen atom, we show that three different kinds of images are to be expected, depending on the orbital character. To judge the feasibility of visualizing orbitals in a real microscope, the effect of the optics' aberrations is simulated. We demonstrate that, by making use of energy filtering, it should indeed be possible to map atomic orbitals in a state-of-the-art transmission electron microscope.

  1. Visualization of a Large Set of Hydrogen Atomic Orbital Contours Using New and Expanded Sets of Parametric Equations

    ERIC Educational Resources Information Center

    Rhile, Ian J.

    2014-01-01

    Atomic orbitals are a theme throughout the undergraduate chemistry curriculum, and visualizing them has been a theme in this journal. Contour plots as isosurfaces or contour lines in a plane are the most familiar representations of the hydrogen wave functions. In these representations, a surface of a fixed value of the wave function ? is plotted…

  2. Visualization of a Large Set of Hydrogen Atomic Orbital Contours Using New and Expanded Sets of Parametric Equations

    ERIC Educational Resources Information Center

    Rhile, Ian J.

    2014-01-01

    Atomic orbitals are a theme throughout the undergraduate chemistry curriculum, and visualizing them has been a theme in this journal. Contour plots as isosurfaces or contour lines in a plane are the most familiar representations of the hydrogen wave functions. In these representations, a surface of a fixed value of the wave function ? is plotted…

  3. Estimation of Molecular Acidity via Electrostatic Potential at the Nucleus and Valence Natural Atomic Orbitals

    PubMed Central

    Liu, Shubin; Pedersen, Lee G.

    2009-01-01

    An effective approach of estimating molecular pKa values from simple density functional calculations is proposed in this work. Both the molecular electrostatic potential (MEP) at the nucleus of the acidic atom and the sum of valence natural atomic orbitals are employed for three categories of compounds, amines and anilines, carbonyl acids and alcohols, and sulfonic acids and thiols. A strong correlation between experimental pKa values and each of these two quantities for each of the three categories has been discovered. Moreover, if the MEP is subtracted by the isolated atomic MEP for each category of compounds, we observe a single unique linear relationship between the resultant MEP difference and experimental pKa data of amines, anilines, carbonyl acids, alcohols, sulfonic acids, thiols, and their substituents. These results can generally be utilized to simultaneously estimate pKa values at multiple sites with a single calculation for either relatively small molecules in drug design or amino acids in proteins and macromolecules. PMID:19317439

  4. Accelerating Atomic Orbital-based Electronic Structure Calculation via Pole Expansion plus Selected Inversion

    SciTech Connect

    Lin, Lin; Chen, Mohan; Yang, Chao; He, Lixin

    2012-02-10

    We describe how to apply the recently developed pole expansion plus selected inversion (PEpSI) technique to Kohn-Sham density function theory (DFT) electronic structure calculations that are based on atomic orbital discretization. We give analytic expressions for evaluating charge density, total energy, Helmholtz free energy and atomic forces without using the eigenvalues and eigenvectors of the Kohn-Sham Hamiltonian. We also show how to update the chemical potential without using Kohn-Sham eigenvalues. The advantage of using PEpSI is that it has a much lower computational complexity than that associated with the matrix diagonalization procedure. We demonstrate the performance gain by comparing the timing of PEpSI with that of diagonalization on insulating and metallic nanotubes. For these quasi-1D systems, the complexity of PEpSI is linear with respect to the number of atoms. This linear scaling can be observed in our computational experiments when the number of atoms in a nanotube is larger than a few hundreds. Both the wall clock time and the memory requirement of PEpSI is modest. This makes it even possible to perform Kohn-Sham DFT calculations for 10,000-atom nanotubes on a single processor. We also show that the use of PEpSI does not lead to loss of accuracy required in a practical DFT calculation.

  5. 4-Component relativistic magnetically induced current density using London atomic orbitals.

    PubMed

    Sulzer, David; Olejniczak, Małgorzata; Bast, Radovan; Saue, Trond

    2011-12-14

    We present the implementation and application of 4-component relativistic magnetically induced current density using London atomic orbitals for self-consistent field models. We obtain a magnetically balanced basis by a simple scheme where orbitals obtained by imposing restricted kinetic balance are extended by their unrestricted kinetic balance complement. The presented methodology makes it possible to analyze the concept of aromaticity based on the ring current criterion for closed-shell molecules across the periodic table and is independent of the choice of gauge origin. As a first illustration of the methodology we study plots of the magnetically induced current density and its divergence in the series C(5)H(5)E (E = CH, N, P, As, Sb, Bi) at the Kohn-Sham level, as well as integrated ring current susceptibilities, which we compare to previous results (R. Bast et al., Chem. Phys., 2009, 356, 187) obtained using a common gauge origin approach. We find that the current strength decreases monotonically along the series, but that all molecules qualify as aromatic according to the ring current criterion.

  6. State density formalism of the Iwamoto-Harada model: A suitable tool to treat cluster emission from heavy-ion collisions with account for spin variables

    NASA Astrophysics Data System (ADS)

    Běták, Emil; Cseh, József

    2017-09-01

    We study the possibility to include the cluster emission into the statistical pre-equilibrium (exciton) model suitable also for heavy ion collisions. The direct motivation of this paper is a possibility of producing superdeformed nuclei, which are easier to be detected in heavy-ion reactions than in those induced by light projectiles (nucleons, deuterons, α-particles). Note to the reader: the pdf file has been changed on September 22, 2017.

  7. Electronic structure of cerium hydrides: Augmented-plane-wave linear-combination-of-atomic-orbitals energy bands

    NASA Astrophysics Data System (ADS)

    Fujimori, A.; Minami, F.; Tsuda, N.

    1980-10-01

    Electronic energy bands have been calculated for CeH2 and CeH3 using the augmented-plane-wave method and have been fitted by the linear-combination-of-atomic-orbitals interpolation scheme. The partial densities of states and the numbers of electrons on atomic orbitals indicate that hydrogen in CeH2 is almost anionlike. When going from CeH2 to CeH3, shallow bonding levels are found to form between the third hydrogen state and conduction electrons of CeH2, other features of CeH2 being little affected by it. Thus the rare-earth dihydrides are regarded as ionic compounds similar to the saline-element dihydrides except for the presence of d-like conduction electrons.

  8. Liquid Water through Density-Functional Molecular Dynamics: Plane-Wave vs Atomic-Orbital Basis Sets.

    PubMed

    Miceli, Giacomo; Hutter, Jürg; Pasquarello, Alfredo

    2016-08-09

    We determine and compare structural, dynamical, and electronic properties of liquid water at near ambient conditions through density-functional molecular dynamics simulations, when using either plane-wave or atomic-orbital basis sets. In both frameworks, the electronic structure and the atomic forces are self-consistently determined within the same theoretical scheme based on a nonlocal density functional accounting for van der Waals interactions. The overall properties of liquid water achieved within the two frameworks are in excellent agreement with each other. Thus, our study supports that implementations with plane-wave or atomic-orbital basis sets yield equivalent results and can be used indiscriminately in study of liquid water or aqueous solutions.

  9. Consistent structures and interactions by density functional theory with small atomic orbital basis sets

    SciTech Connect

    Grimme, Stefan Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

    2015-08-07

    A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of “low-cost” electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT

  10. Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

    PubMed

    Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

    2015-08-07

    A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods

  11. Consistent structures and interactions by density functional theory with small atomic orbital basis sets

    NASA Astrophysics Data System (ADS)

    Grimme, Stefan; Brandenburg, Jan Gerit; Bannwarth, Christoph; Hansen, Andreas

    2015-08-01

    A density functional theory (DFT) based composite electronic structure approach is proposed to efficiently compute structures and interaction energies in large chemical systems. It is based on the well-known and numerically robust Perdew-Burke-Ernzerhoff (PBE) generalized-gradient-approximation in a modified global hybrid functional with a relatively large amount of non-local Fock-exchange. The orbitals are expanded in Ahlrichs-type valence-double zeta atomic orbital (AO) Gaussian basis sets, which are available for many elements. In order to correct for the basis set superposition error (BSSE) and to account for the important long-range London dispersion effects, our well-established atom-pairwise potentials are used. In the design of the new method, particular attention has been paid to an accurate description of structural parameters in various covalent and non-covalent bonding situations as well as in periodic systems. Together with the recently proposed three-fold corrected (3c) Hartree-Fock method, the new composite scheme (termed PBEh-3c) represents the next member in a hierarchy of "low-cost" electronic structure approaches. They are mainly free of BSSE and account for most interactions in a physically sound and asymptotically correct manner. PBEh-3c yields good results for thermochemical properties in the huge GMTKN30 energy database. Furthermore, the method shows excellent performance for non-covalent interaction energies in small and large complexes. For evaluating its performance on equilibrium structures, a new compilation of standard test sets is suggested. These consist of small (light) molecules, partially flexible, medium-sized organic molecules, molecules comprising heavy main group elements, larger systems with long bonds, 3d-transition metal systems, non-covalently bound complexes (S22 and S66×8 sets), and peptide conformations. For these sets, overall deviations from accurate reference data are smaller than for various other tested DFT methods

  12. Application of atomic-orbital projections to the study of the electronic properties of metal-organic frameworks

    NASA Astrophysics Data System (ADS)

    Agapito, Luis; Calzolari, Arrigo; Ferretti, Andrea; Nardelli, Marco

    2013-03-01

    Metal-organic frameworks (MOF) are a new class of artificial crystalline materials. Because of their flexibility for synthesis and instrinsic ultrahigh surface area and porosity, MOFs show superior performance in gas storage, catalysis, and sensing applications. We use an efficient projection of plane-wave wavefunctions onto atomic orbitals for studying the electronic properties of these intriguing materials. The present scheme harnesses the robust periodic algorithms and systematic convergence of the plane-wave method for an atomistic electronic (Landauer conductance) and chemical (charge transfer, bond and atomic charge) analysis that provides guidelines for the design of MOF electronic materials.

  13. An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units

    SciTech Connect

    Hohenstein, Edward G.; Luehr, Nathan; Ufimtsev, Ivan S.; Martínez, Todd J.

    2015-06-14

    Despite its importance, state-of-the-art algorithms for performing complete active space self-consistent field (CASSCF) computations have lagged far behind those for single reference methods. We develop an algorithm for the CASSCF orbital optimization that uses sparsity in the atomic orbital (AO) basis set to increase the applicability of CASSCF. Our implementation of this algorithm uses graphical processing units (GPUs) and has allowed us to perform CASSCF computations on molecular systems containing more than one thousand atoms. Additionally, we have implemented analytic gradients of the CASSCF energy; the gradients also benefit from GPU acceleration as well as sparsity in the AO basis.

  14. Sommerfeld's elliptical atomic orbits revisited—A useful preliminary to the study of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Deeney, Tony; O'Sullivan, Colm

    2014-09-01

    The Bohr-Sommerfeld atomic model is recast in the language of wave-particle duality and it is shown that requirements equivalent to the Sommerfeld-Wilson quantisation conditions arise naturally in this context. It is suggested that treating the one-electron atom in this way provides a useful introduction for students prior to encountering the more formal analysis based on the solution of the Schrödinger equation.

  15. The Calculation of NMR Chemical Shifts in Periodic Systems Based on Gauge Including Atomic Orbitals and Density Functional Theory.

    PubMed

    Skachkov, Dmitry; Krykunov, Mykhaylo; Kadantsev, Eugene; Ziegler, Tom

    2010-05-11

    We present here a method that can calculate NMR shielding tensors from first principles for systems with translational invariance. Our approach is based on Kohn-Sham density functional theory and gauge-including atomic orbitals. Our scheme determines the shielding tensor as the second derivative of the total electronic energy with respect to an external magnetic field and a nuclear magnetic moment. The induced current density due to a periodic perturbation from nuclear magnetic moments is obtained through numerical differentiation, whereas the influence of the responding perturbation in terms of the external magnetic field is evaluated analytically. The method is implemented into the periodic program BAND. It employs a Bloch basis set made up of Slater-type or numeric atomic orbitals and represents the Kohn-Sham potential fully without the use of effective core potentials. Results from calculations of NMR shielding constants based on the present approach are presented for isolated molecules as well as systems with one-, two- and three-dimensional periodicity. The reported values are compared to experiment and results from calculations on cluster models.

  16. Gradient of molecular Hartree-Fock-Bogoliubov energy with a linear combination of atomic orbital quasiparticle wave functions.

    PubMed

    Kobayashi, Masato

    2014-02-28

    The analytical gradient for the atomic-orbital-based Hartree-Fock-Bogoliubov (HFB) energy functional, the modified form of which was proposed by Staroverov and Scuseria to account for the static electron correlation [J. Chem. Phys. 117, 11107 (2002)], is derived. Interestingly, the Pulay force for the HFB energy is expressed with the same formula as that for the Hartree-Fock method. The efficiency of the present HFB energy gradient is demonstrated in the geometry optimizations of conjugated and biradical systems. The geometries optimized by using the HFB method with the appropriate factor ζ, which controls the degree of static correlation included, are found to show good agreement with those obtained by using a complete active-space self-consistent field method, although they are significantly dependent on ζ.

  17. Gradient of molecular Hartree–Fock–Bogoliubov energy with a linear combination of atomic orbital quasiparticle wave functions

    SciTech Connect

    Kobayashi, Masato

    2014-02-28

    The analytical gradient for the atomic-orbital-based Hartree–Fock–Bogoliubov (HFB) energy functional, the modified form of which was proposed by Staroverov and Scuseria to account for the static electron correlation [J. Chem. Phys. 117, 11107 (2002)], is derived. Interestingly, the Pulay force for the HFB energy is expressed with the same formula as that for the Hartree–Fock method. The efficiency of the present HFB energy gradient is demonstrated in the geometry optimizations of conjugated and biradical systems. The geometries optimized by using the HFB method with the appropriate factor ζ, which controls the degree of static correlation included, are found to show good agreement with those obtained by using a complete active-space self-consistent field method, although they are significantly dependent on ζ.

  18. Gradient of molecular Hartree-Fock-Bogoliubov energy with a linear combination of atomic orbital quasiparticle wave functions

    NASA Astrophysics Data System (ADS)

    Kobayashi, Masato

    2014-02-01

    The analytical gradient for the atomic-orbital-based Hartree-Fock-Bogoliubov (HFB) energy functional, the modified form of which was proposed by Staroverov and Scuseria to account for the static electron correlation [J. Chem. Phys. 117, 11107 (2002)], is derived. Interestingly, the Pulay force for the HFB energy is expressed with the same formula as that for the Hartree-Fock method. The efficiency of the present HFB energy gradient is demonstrated in the geometry optimizations of conjugated and biradical systems. The geometries optimized by using the HFB method with the appropriate factor ζ, which controls the degree of static correlation included, are found to show good agreement with those obtained by using a complete active-space self-consistent field method, although they are significantly dependent on ζ.

  19. Orthogonal natural atomic orbitals form an appropriate one-electron basis for expanding CASSCF wave functions into localized bonding schemes and their weights.

    PubMed

    Bachler, Vinzenz

    2007-09-01

    Localized bonding schemes and their weights have been obtained for the pi-electron system of nitrone by expanding complete active space self-consistent field wave functions into a set of Slater determinants composed of orthogonal natural atomic orbitals (NAOs) of Weinhold and Landis (Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective, 2005). Thus, the derived bonding schemes are close to orthogonal valence bond structures. The calculated sequence of bonding scheme weights accords with the sequence of genuine resonance structure weights derived previously by Ohanessian and Hiberty (Chem Phys Lett 1987, 137, 437), who employed nonorthogonal atomic orbitals. This accord supports the notion that NAOs form an appropriate orthogonal one-electron basis for expanding complete active space self-consistent field wave functions into meaningful bonding schemes and their weights.

  20. Ionic bonding of lanthanides, as influenced by d- and f-atomic orbitals, by core-shells and by relativity.

    PubMed

    Ji, Wen-Xin; Xu, Wei; Schwarz, W H Eugen; Wang, Shu-Guang

    2015-03-15

    Lanthanide trihalide molecules LnX3 (X = F, Cl, Br, I) were quantum chemically investigated, in particular detail for Ln = Lu (lutetium). We applied density functional theory (DFT) at the nonrelativistic and scalar and SO-coupled relativistic levels, and also the ab initio coupled cluster approach. The chemically active electron shells of the lanthanide atoms comprise the 5d and 6s (and 6p) valence atomic orbitals (AO) and also the filled inner 4f semivalence and outer 5p semicore shells. Four different frozen-core approximations for Lu were compared: the (1s(2) -4d(10) ) [Pd] medium core, the [Pd+5s(2) 5p(6) = Xe] and [Pd+4f(14) ] large cores, and the [Pd+4f(14) +5s(2) 5p(6) ] very large core. The errors of LuX bonding are more serious on freezing the 5p(6) shell than the 4f(14) shell, more serious upon core-freezing than on the effective-core-potential approximation. The LnX distances correlate linearly with the AO radii of the ionic outer shells, Ln(3+) -5p(6) and X(-) -np(6) , characteristic for dominantly ionic Ln(3+) -X(-) binding. The heavier halogen atoms also bind covalently with the Ln-5d shell. Scalar relativistic effects contract and destabilize the LuX bonds, spin orbit coupling hardly affects the geometries but the bond energies, owing to SO effects in the free atoms. The relativistic changes of bond energy BE, bond length Re , bond force k, and bond stretching frequency vs do not follow the simple rules of Badger and Gordy (Re ∼BE∼k∼vs ). The so-called degeneracy-driven covalence, meaning strong mixing of accidentally near-degenerate, nearly nonoverlapping AOs without BE contribution is critically discussed.

  1. Destructive quantum interference in electron transport: A reconciliation of the molecular orbital and the atomic orbital perspective

    NASA Astrophysics Data System (ADS)

    Zhao, Xin; Geskin, Victor; Stadler, Robert

    2017-03-01

    Destructive quantum interference (DQI) in single molecule electronics is a purely quantum mechanical effect and is entirely defined by the inherent properties of the molecule in the junction such as its structure and symmetry. This definition of DQI by molecular properties alone suggests its relation to other more general concepts in chemistry as well as the possibility of deriving simple models for its understanding and molecular device design. Recently, two such models have gained a wide spread attention, where one was a graphical scheme based on visually inspecting the connectivity of the carbon sites in conjugated π systems in an atomic orbital (AO) basis and the other one puts the emphasis on the amplitudes and signs of the frontier molecular orbitals (MOs). There have been discussions on the range of applicability for these schemes, but ultimately conclusions from topological molecular Hamiltonians should not depend on whether they are drawn from an AO or a MO representation, as long as all the orbitals are taken into account. In this article, we clarify the relation between both models in terms of the zeroth order Green's function and compare their predictions for a variety of systems. From this comparison, we conclude that for a correct description of DQI from a MO perspective, it is necessary to include the contributions from all MOs rather than just those from the frontier orbitals. The cases where DQI effects can be successfully predicted within a frontier orbital approximation we show them to be limited to alternant even-membered hydrocarbons, as a direct consequence of the Coulson-Rushbrooke pairing theorem in quantum chemistry.

  2. Off-Center Gaussian Functions, an Alternative Atomic Orbital Basis Set for Accurate Noncovalent Interaction Calculations of Large Systems.

    PubMed

    Melicherčík, Miroslav; Pitoňák, Michal; Kellö, Vladimír; Hobza, Pavel; Neogrády, Pavel

    2013-12-10

    Proper description of noncovalent interactions requires, among other things, the use of diffuse atomic orbital (AO) basis sets. However, the presence of diffuse functions, especially in extended molecular systems, can lead to linear dependent AO basis sets. This in turn results, for example, in molecular orbital optimization problems or, when dependencies are removed in unpredictable and possibly geometry-dependent accuracy fluctuations. In this work, an alternative approach is proposed which suffers no linear dependence problems and delivers comparably accurate noncovalent interaction energies. An algorithm is proposed and implemented to construct a grid of off-center s-type Gaussian functions surrounding the molecule; substituting the presence of atom-centered diffuse basis functions. While the number of basis functions in the grid is comparable to the number of diffuse basis functions in aug-cc-pVXZ (for each cardinality number "X") basis sets for small molecular systems, the ratio becomes more favorable with increasing system size. The grid is constructed in a way that it is unique for a molecule (monomer) and, thus, independent of noncovalent complex/cluster geometry. The grid parameters, such as the density of grid points and s-function exponents, are obtained via optimization toward the S22 data set on the MP2 level. The quality, transferability, and versatility of the grid is tested on the S66 data set as well as on several cuts through the potential energy surface for noncovalent complexes, such as methyl-guanine···methyl-cytosine conversion from stacked to hydrogen-bonded structure.

  3. Deep first formal concept search.

    PubMed

    Zhang, Tao; Li, Hui; Hong, Wenxue; Yuan, Xiamei; Wei, Xinyu

    2014-01-01

    The calculation of formal concepts is a very important part in the theory of formal concept analysis (FCA); however, within the framework of FCA, computing all formal concepts is the main challenge because of its exponential complexity and difficulty in visualizing the calculating process. With the basic idea of Depth First Search, this paper presents a visualization algorithm by the attribute topology of formal context. Limited by the constraints and calculation rules, all concepts are achieved by the visualization global formal concepts searching, based on the topology degenerated with the fixed start and end points, without repetition and omission. This method makes the calculation of formal concepts precise and easy to operate and reflects the integrity of the algorithm, which enables it to be suitable for visualization analysis.

  4. Deep First Formal Concept Search

    PubMed Central

    Zhang, Tao; Li, Hui; Hong, Wenxue; Yuan, Xiamei; Wei, Xinyu

    2014-01-01

    The calculation of formal concepts is a very important part in the theory of formal concept analysis (FCA); however, within the framework of FCA, computing all formal concepts is the main challenge because of its exponential complexity and difficulty in visualizing the calculating process. With the basic idea of Depth First Search, this paper presents a visualization algorithm by the attribute topology of formal context. Limited by the constraints and calculation rules, all concepts are achieved by the visualization global formal concepts searching, based on the topology degenerated with the fixed start and end points, without repetition and omission. This method makes the calculation of formal concepts precise and easy to operate and reflects the integrity of the algorithm, which enables it to be suitable for visualization analysis. PMID:25254232

  5. Rethinking Formalisms in Formal Education

    ERIC Educational Resources Information Center

    Nathan, Mitchell J.

    2012-01-01

    I explore a belief about learning and teaching that is commonly held in education and society at large that nonetheless is deeply flawed. The belief asserts that mastery of "formalisms"--specialized representations such as symbolic equations and diagrams with no inherent meaning except that which is established by convention--is prerequisite to…

  6. Rethinking Formalisms in Formal Education

    ERIC Educational Resources Information Center

    Nathan, Mitchell J.

    2012-01-01

    I explore a belief about learning and teaching that is commonly held in education and society at large that nonetheless is deeply flawed. The belief asserts that mastery of "formalisms"--specialized representations such as symbolic equations and diagrams with no inherent meaning except that which is established by convention--is prerequisite to…

  7. Beyond formalism

    NASA Technical Reports Server (NTRS)

    Denning, Peter J.

    1991-01-01

    The ongoing debate over the role of formalism and formal specifications in software features many speakers with diverse positions. Yet, in the end, they share the conviction that the requirements of a software system can be unambiguously specified, that acceptable software is a product demonstrably meeting the specifications, and that the design process can be carried out with little interaction between designers and users once the specification has been agreed to. This conviction is part of a larger paradigm prevalent in American management thinking, which holds that organizations are systems that can be precisely specified and optimized. This paradigm, which traces historically to the works of Frederick Taylor in the early 1900s, is no longer sufficient for organizations and software systems today. In the domain of software, a new paradigm, called user-centered design, overcomes the limitations of pure formalism. Pioneered in Scandinavia, user-centered design is spreading through Europe and is beginning to make its way into the U.S.

  8. Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation

    SciTech Connect

    Schurkus, Henry F.; Ochsenfeld, Christian

    2016-01-21

    An atomic-orbital (AO) reformulation of the random-phase approximation (RPA) correlation energy is presented allowing to reduce the steep computational scaling to linear, so that large systems can be studied on simple desktop computers with fully numerically controlled accuracy. Our AO-RPA formulation introduces a contracted double-Laplace transform and employs the overlap-metric resolution-of-the-identity. First timings of our pilot code illustrate the reduced scaling with systems comprising up to 1262 atoms and 10 090 basis functions. .

  9. NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals

    NASA Astrophysics Data System (ADS)

    Loibl, Stefan; Schütz, Martin

    2012-08-01

    An efficient method for the calculation of nuclear magnetic resonance (NMR) shielding tensors is presented, which treats electron correlation at the level of second-order Møller-Plesset perturbation theory. It uses spatially localized functions to span occupied and virtual molecular orbital spaces, respectively, which are expanded in a basis of gauge including atomic orbitals (GIAOs or London atomic orbitals). Doubly excited determinants are restricted to local subsets of the virtual space and pair energies with an interorbital distance beyond a certain threshold are omitted. Furthermore, density fitting is employed to factorize the electron repulsion integrals. Ordinary Gaussians are employed as fitting functions. It is shown that the errors in the resulting NMR shielding constant, introduced (i) by the local approximation and (ii) by density fitting, are very small or even negligible. The capabilities of the new program are demonstrated by calculations on some extended molecular systems, such as the cyclobutane pyrimidine dimer photolesion with adjacent nucleobases in the native intrahelical DNA double strand (ATTA sequence). Systems of that size were not accessible to correlated ab initio calculations of NMR spectra before. The presented method thus opens the door to new and interesting applications in this area.

  10. NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals.

    PubMed

    Loibl, Stefan; Schütz, Martin

    2012-08-28

    An efficient method for the calculation of nuclear magnetic resonance (NMR) shielding tensors is presented, which treats electron correlation at the level of second-order Mo̸ller-Plesset perturbation theory. It uses spatially localized functions to span occupied and virtual molecular orbital spaces, respectively, which are expanded in a basis of gauge including atomic orbitals (GIAOs or London atomic orbitals). Doubly excited determinants are restricted to local subsets of the virtual space and pair energies with an interorbital distance beyond a certain threshold are omitted. Furthermore, density fitting is employed to factorize the electron repulsion integrals. Ordinary Gaussians are employed as fitting functions. It is shown that the errors in the resulting NMR shielding constant, introduced (i) by the local approximation and (ii) by density fitting, are very small or even negligible. The capabilities of the new program are demonstrated by calculations on some extended molecular systems, such as the cyclobutane pyrimidine dimer photolesion with adjacent nucleobases in the native intrahelical DNA double strand (ATTA sequence). Systems of that size were not accessible to correlated ab initio calculations of NMR spectra before. The presented method thus opens the door to new and interesting applications in this area.

  11. Atomic orbital data for elements with atomic numbers 1 less than or equal to Z less than or equal to 103

    SciTech Connect

    Kerley, G.I.

    1988-10-01

    Atomic orbital energies and radial expectation values are tabulated for the ground state electronic configuration of all elements with Z less than or equal to 103 and for all orbitals having principal quantum numbers n less than or equal to 8. These tables have been developed for use in a model of electronic excitation and ionization that requires orbital data for both the occupied and unoccupied orbitals. The wavefunctions were calculated by the Dirac-Hartree-Fock-Slater method, with a local exchange potential due to Liberman. This potential has the Coulombic form at large distances from the nucleus, with the result that both the occupied and unoccupied orbitals are bound states. The complete nonlocal exchange expression was used to compute the orbital energies. The results are in good agreement with full Dirac-Hartree-Fock calculations for the occupied orbitals. 22 refs., 2 tabs.

  12. Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting

    NASA Astrophysics Data System (ADS)

    Kumar, Chandan; Kjærgaard, Thomas; Helgaker, Trygve; Fliegl, Heike

    2016-12-01

    An atomic orbital density matrix based response formulation of the nuclei-selected approach of Beer, Kussmann, and Ochsenfeld [J. Chem. Phys. 134, 074102 (2011)] to calculate nuclear magnetic resonance (NMR) shielding tensors has been developed and implemented into LSDalton allowing for a simultaneous solution of the response equations, which significantly improves the performance. The response formulation to calculate nuclei-selected NMR shielding tensors can be used together with the density-fitting approximation that allows efficient calculation of Coulomb integrals. It is shown that using density-fitting does not lead to a significant loss in accuracy for both the nuclei-selected and the conventional ways to calculate NMR shielding constants and should thus be used for applications with LSDalton.

  13. Small Atomic Orbital Basis Set First‐Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources

    PubMed Central

    Sure, Rebecca; Brandenburg, Jan Gerit

    2015-01-01

    Abstract In quantum chemical computations the combination of Hartree–Fock or a density functional theory (DFT) approximation with relatively small atomic orbital basis sets of double‐zeta quality is still widely used, for example, in the popular B3LYP/6‐31G* approach. In this Review, we critically analyze the two main sources of error in such computations, that is, the basis set superposition error on the one hand and the missing London dispersion interactions on the other. We review various strategies to correct those errors and present exemplary calculations on mainly noncovalently bound systems of widely varying size. Energies and geometries of small dimers, large supramolecular complexes, and molecular crystals are covered. We conclude that it is not justified to rely on fortunate error compensation, as the main inconsistencies can be cured by modern correction schemes which clearly outperform the plain mean‐field methods. PMID:27308221

  14. A linear- and sublinear-scaling method for calculating NMR shieldings in atomic orbital-based second-order Møller-Plesset perturbation theory.

    PubMed

    Maurer, Marina; Ochsenfeld, Christian

    2013-05-07

    An atomic-orbital (AO) based formulation for calculating nuclear magnetic resonance chemical shieldings at the second-order Møller-Plesset perturbation theory level is introduced, which provides a basis for reducing the scaling of the computational effort with the molecular size from the fifth power to linear and for a specific nucleus to sublinear. The latter sublinear scaling in the rate-determining steps becomes possible by avoiding global perturbations with respect to the magnetic field and by solving for quantities that involve the local nuclear magnetic spin perturbation instead. For avoiding the calculation of the second-order perturbed density matrix, we extend our AO-based reformulation of the Z-vector method within a density matrix-based scheme. Our pilot implementation illustrates the fast convergence with respect to the required number of Laplace points and the asymptotic scaling behavior in the rate-determining steps.

  15. Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting.

    PubMed

    Kumar, Chandan; Kjærgaard, Thomas; Helgaker, Trygve; Fliegl, Heike

    2016-12-21

    An atomic orbital density matrix based response formulation of the nuclei-selected approach of Beer, Kussmann, and Ochsenfeld [J. Chem. Phys. 134, 074102 (2011)] to calculate nuclear magnetic resonance (NMR) shielding tensors has been developed and implemented into LSDalton allowing for a simultaneous solution of the response equations, which significantly improves the performance. The response formulation to calculate nuclei-selected NMR shielding tensors can be used together with the density-fitting approximation that allows efficient calculation of Coulomb integrals. It is shown that using density-fitting does not lead to a significant loss in accuracy for both the nuclei-selected and the conventional ways to calculate NMR shielding constants and should thus be used for applications with LSDalton.

  16. Small Atomic Orbital Basis Set First-Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources.

    PubMed

    Sure, Rebecca; Brandenburg, Jan Gerit; Grimme, Stefan

    2016-04-01

    In quantum chemical computations the combination of Hartree-Fock or a density functional theory (DFT) approximation with relatively small atomic orbital basis sets of double-zeta quality is still widely used, for example, in the popular B3LYP/6-31G* approach. In this Review, we critically analyze the two main sources of error in such computations, that is, the basis set superposition error on the one hand and the missing London dispersion interactions on the other. We review various strategies to correct those errors and present exemplary calculations on mainly noncovalently bound systems of widely varying size. Energies and geometries of small dimers, large supramolecular complexes, and molecular crystals are covered. We conclude that it is not justified to rely on fortunate error compensation, as the main inconsistencies can be cured by modern correction schemes which clearly outperform the plain mean-field methods.

  17. Psychological Screening for Weapons Use Suitability: A Formal Decision Model,

    DTIC Science & Technology

    Psychological tests, *Military personnel, *Performance(Human), *Models, *Decision making, Scoring, Ratings, Data bases, Standardization, Personality ...tests, Psychology , Questionnaires, factor analysis, Diagnosis(General), Symposia

  18. Experimental Evaluation of a Planning Language Suitable for Formal Verification

    NASA Technical Reports Server (NTRS)

    Butler, Rick W.; Munoz, Cesar A.; Siminiceanu, Radu I.

    2008-01-01

    The marriage of model checking and planning faces two seemingly diverging alternatives: the need for a planning language expressive enough to capture the complexity of real-life applications, as opposed to a language simple, yet robust enough to be amenable to exhaustive verification and validation techniques. In an attempt to reconcile these differences, we have designed an abstract plan description language, ANMLite, inspired from the Action Notation Modeling Language (ANML) [17]. We present the basic concepts of the ANMLite language as well as an automatic translator from ANMLite to the model checker SAL (Symbolic Analysis Laboratory) [7]. We discuss various aspects of specifying a plan in terms of constraints and explore the implications of choosing a robust logic behind the specification of constraints, rather than simply propose a new planning language. Additionally, we provide an initial assessment of the efficiency of model checking to search for solutions of planning problems. To this end, we design a basic test benchmark and study the scalability of the generated SAL models in terms of plan complexity.

  19. X-ray atomic orbital analysis of 4f and 5d electron configuration of SmB6 at 100, 165, 230 and 298 K.

    PubMed

    Funahashi, Shiro; Tanaka, Kiyoaki; Iga, Fumitoshi

    2010-06-01

    Accurate electron-density measurement of SmB(6) at 100, 165, 230 and 298 K, and X-ray atomic orbital (XAO) analysis were carried out. The 4f-electron density around Sm and 5d electron density at approximately 1 A from Sm were analysed by XAO analysis. The 5d electron density is due to the electrons of the 5d(J = 5/2)Gamma(8) orbitals which stem from the e(g) orbitals in the strong field approximation. The change in electron populations of the 5d(5/2)Gamma(8) orbitals with temperature is similar to that of the resistivity. Since the conduction band consists of 5d(5/2)Gamma(8) and B-2p orbitals according to band theory, this indicates that the larger populations of the 5d(5/2)Gamma(8) orbitals correspond to the larger number of localized electrons and are correlated to the resistivity of SmB(6). The occupation of the bulky 5d(5/2)Gamma(8) orbitals may be the reason for the elongation of the lattice parameter below 150 K. The 4f(7/2)Gamma(6) orbitals are obviously occupied except at 100 K, which seems to be caused by the energy gap between 4f(5/2) and 4f(7/2) states, which begins to exist between 100 and 150 K, and may represent one of the properties of a Kondo insulator.

  20. X-ray absorption near edge structure/electron energy loss near edge structure calculation using the supercell orthogonalized linear combination of atomic orbitals method

    NASA Astrophysics Data System (ADS)

    Ching, Wai-Yim; Rulis, Paul

    2009-03-01

    Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO (orthogonalized linear combination of atomic orbitals) method, obtaining results in very good agreement with experiments. The method takes into account the core-hole effect and includes the dipole matrix elements calculated from ab initio wavefunctions. In this paper, we describe the method in considerable detail, emphasizing the special advantages of this method for large complex systems. Selected results are reviewed and several hitherto unpublished results are also presented. These include the Y K edge of Y ions segregated to the core of a Σ31 grain boundary in alumina, O K edges of water molecules, C K edges in different types of single walled carbon nanotubes, and the Co K edge in the cyanocobalamin (vitamin B12) molecule. On the basis of these results, it is argued that the interpretation of specific features of the calculated XANES/ELNES edges is not simple for complex material systems because of the delocalized nature of the conduction band states. The long-standing notion of the 'fingerprinting' technique for spectral interpretation of experimental data is not tenable. A better approach is to fully characterize the structure under study, using either crystalline data or accurate ab initio modeling. Comparison between calculated XANES/ELNES spectra and available measurements enables us to ascertain the validity of the modeled structure. For complex crystals or structures, it is necessary to use the weighted sum of the spectra from structurally nonequivalent sites for comparison with the measured data. Future application of the supercell-OLCAO method to complex biomolecular systems is also discussed.

  1. X-ray absorption near edge structure/electron energy loss near edge structure calculation using the supercell orthogonalized linear combination of atomic orbitals method.

    PubMed

    Ching, Wai-Yim; Rulis, Paul

    2009-03-11

    Over the last eight years, a large number of x-ray absorption near edge structure (XANES) and/or electron energy loss near edge structure (ELNES) spectroscopic calculations for complex oxides and nitrides have been performed using the supercell-OLCAO (orthogonalized linear combination of atomic orbitals) method, obtaining results in very good agreement with experiments. The method takes into account the core-hole effect and includes the dipole matrix elements calculated from ab initio wavefunctions. In this paper, we describe the method in considerable detail, emphasizing the special advantages of this method for large complex systems. Selected results are reviewed and several hitherto unpublished results are also presented. These include the Y K edge of Y ions segregated to the core of a Σ31 grain boundary in alumina, O K edges of water molecules, C K edges in different types of single walled carbon nanotubes, and the Co K edge in the cyanocobalamin (vitamin B(12)) molecule. On the basis of these results, it is argued that the interpretation of specific features of the calculated XANES/ELNES edges is not simple for complex material systems because of the delocalized nature of the conduction band states. The long-standing notion of the 'fingerprinting' technique for spectral interpretation of experimental data is not tenable. A better approach is to fully characterize the structure under study, using either crystalline data or accurate ab initio modeling. Comparison between calculated XANES/ELNES spectra and available measurements enables us to ascertain the validity of the modeled structure. For complex crystals or structures, it is necessary to use the weighted sum of the spectra from structurally nonequivalent sites for comparison with the measured data. Future application of the supercell-OLCAO method to complex biomolecular systems is also discussed.

  2. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.

    PubMed

    Doser, Bernd; Lambrecht, Daniel S; Kussmann, Jörg; Ochsenfeld, Christian

    2009-02-14

    A Laplace-transformed second-order Moller-Plesset perturbation theory (MP2) method is presented, which allows to achieve linear scaling of the computational effort with molecular size for electronically local structures. Also for systems with a delocalized electronic structure, a cubic or even quadratic scaling behavior is achieved. Numerically significant contributions to the atomic orbital (AO)-MP2 energy are preselected using the so-called multipole-based integral estimates (MBIE) introduced earlier by us [J. Chem. Phys. 123, 184102 (2005)]. Since MBIE provides rigorous upper bounds, numerical accuracy is fully controlled and the exact MP2 result is attained. While the choice of thresholds for a specific accuracy is only weakly dependent upon the molecular system, our AO-MP2 scheme offers the possibility for incremental thresholding: for only little additional computational expense, the numerical accuracy can be systematically converged. We illustrate this dependence upon numerical thresholds for the calculation of intermolecular interaction energies for the S22 test set. The efficiency and accuracy of our AO-MP2 method is demonstrated for linear alkanes, stacked DNA base pairs, and carbon nanotubes: e.g., for DNA systems the crossover toward conventional MP2 schemes occurs between one and two base pairs. In this way, it is for the first time possible to compute wave function-based correlation energies for systems containing more than 1000 atoms with 10 000 basis functions as illustrated for a 16 base pair DNA system on a single-core computer, where no empirical restrictions are introduced and numerical accuracy is fully preserved.

  3. Formal Methods Tool Qualification

    NASA Technical Reports Server (NTRS)

    Wagner, Lucas G.; Cofer, Darren; Slind, Konrad; Tinelli, Cesare; Mebsout, Alain

    2017-01-01

    Formal methods tools have been shown to be effective at finding defects in safety-critical digital systems including avionics systems. The publication of DO-178C and the accompanying formal methods supplement DO-333 allows applicants to obtain certification credit for the use of formal methods without providing justification for them as an alternative method. This project conducted an extensive study of existing formal methods tools, identifying obstacles to their qualification and proposing mitigations for those obstacles. Further, it interprets the qualification guidance for existing formal methods tools and provides case study examples for open source tools. This project also investigates the feasibility of verifying formal methods tools by generating proof certificates which capture proof of the formal methods tool's claim, which can be checked by an independent, proof certificate checking tool. Finally, the project investigates the feasibility of qualifying this proof certificate checker, in the DO-330 framework, in lieu of qualifying the model checker itself.

  4. The isotropic Hamiltonian formalism

    SciTech Connect

    Vaisman, Izu

    2011-02-10

    A Hamiltonian formalism is a procedure that allows to associate a dynamical system to a function and that includes classical Hamiltonian mechanics as a particular case. The present, expository paper gives a survey of the Hamiltonian formalism defined by an isotropic subbundle of TM+T*M, in particular, by a Dirac structure. We discuss reduction and geometric quantization of the Hamiltonian dynamical systems provided by this formalism.

  5. An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing units

    SciTech Connect

    Snyder, James W.; Hohenstein, Edward G.; Luehr, Nathan; Martínez, Todd J.

    2015-10-21

    We recently presented an algorithm for state-averaged complete active space self-consistent field (SA-CASSCF) orbital optimization that capitalizes on sparsity in the atomic orbital basis set to reduce the scaling of computational effort with respect to molecular size. Here, we extend those algorithms to calculate the analytic gradient and nonadiabatic coupling vectors for SA-CASSCF. Combining the low computational scaling with acceleration from graphical processing units allows us to perform SA-CASSCF geometry optimizations for molecules with more than 1000 atoms. The new approach will make minimal energy conical intersection searches and nonadiabatic dynamics routine for molecular systems with O(10{sup 2}) atoms.

  6. Software Formal Inspections Guidebook

    NASA Technical Reports Server (NTRS)

    1993-01-01

    The Software Formal Inspections Guidebook is designed to support the inspection process of software developed by and for NASA. This document provides information on how to implement a recommended and proven method for conducting formal inspections of NASA software. This Guidebook is a companion document to NASA Standard 2202-93, Software Formal Inspections Standard, approved April 1993, which provides the rules, procedures, and specific requirements for conducting software formal inspections. Application of the Formal Inspections Standard is optional to NASA program or project management. In cases where program or project management decide to use the formal inspections method, this Guidebook provides additional information on how to establish and implement the process. The goal of the formal inspections process as documented in the above-mentioned Standard and this Guidebook is to provide a framework and model for an inspection process that will enable the detection and elimination of defects as early as possible in the software life cycle. An ancillary aspect of the formal inspection process incorporates the collection and analysis of inspection data to effect continual improvement in the inspection process and the quality of the software subjected to the process.

  7. Formality in Rhetorical Delivery.

    ERIC Educational Resources Information Center

    Skopec, Eric Wm.

    Formality in rhetorical delivery can be defined as a complex variable that represents the speaker's efforts to invoke sociocultural rules of audience control through the nonverbal components of the delivery. This document describes some of the aspects of formality, outlines its significance in rhetorical contexts, and evaluates the concept in…

  8. Formalizing Probabilistic Safety Claims

    NASA Technical Reports Server (NTRS)

    Herencia-Zapana, Heber; Hagen, George E.; Narkawicz, Anthony J.

    2011-01-01

    A safety claim for a system is a statement that the system, which is subject to hazardous conditions, satisfies a given set of properties. Following work by John Rushby and Bev Littlewood, this paper presents a mathematical framework that can be used to state and formally prove probabilistic safety claims. It also enables hazardous conditions, their uncertainties, and their interactions to be integrated into the safety claim. This framework provides a formal description of the probabilistic composition of an arbitrary number of hazardous conditions and their effects on system behavior. An example is given of a probabilistic safety claim for a conflict detection algorithm for aircraft in a 2D airspace. The motivation for developing this mathematical framework is that it can be used in an automated theorem prover to formally verify safety claims.

  9. Software Formal Inspections Standard

    NASA Technical Reports Server (NTRS)

    1993-01-01

    This Software Formal Inspections Standard (hereinafter referred to as Standard) is applicable to NASA software. This Standard defines the requirements that shall be fulfilled by the software formal inspections process whenever this process is specified for NASA software. The objective of this Standard is to define the requirements for a process that inspects software products to detect and eliminate defects as early as possible in the software life cycle. The process also provides for the collection and analysis of inspection data to improve the inspection process as well as the quality of the software.

  10. Ontology or formal ontology

    NASA Astrophysics Data System (ADS)

    Žáček, Martin

    2017-07-01

    Ontology or formal ontology? Which word is correct? The aim of this article is to introduce correct terms and explain their basis. Ontology describes a particular area of interest (domain) in a formal way - defines the classes of objects that are in that area, and relationships that may exist between them. Meaning of ontology consists mainly in facilitating communication between people, improve collaboration of software systems and in the improvement of systems engineering. Ontology in all these areas offer the possibility of unification of view, maintaining consistency and unambiguity.

  11. Correlates of Formal Reasoning.

    ERIC Educational Resources Information Center

    Linn, Marcia C.; Pulos, Steven

    This study of Piagetian formal reasoning in seventh grade students reports the relationships between four aspects of the ability to control variables in an experiment and the relationships between those four aspects and other constructs. The four aspects of the ability to control variables identified are: (1) set up a controlled experiment, (2)…

  12. Biodiversity: Habitat Suitability

    EPA Science Inventory

    Habitat suitability quantifies the relationship between species and habitat, and is evaluated according to the species’ fitness (i.e. proportion of birth rate to death rate). Even though it might maximize evolutionary success, species are not always in habitat that optimizes fit...

  13. Biodiversity: Habitat Suitability

    EPA Science Inventory

    Habitat suitability quantifies the relationship between species and habitat, and is evaluated according to the species’ fitness (i.e. proportion of birth rate to death rate). Even though it might maximize evolutionary success, species are not always in habitat that optimizes fit...

  14. Semisymmetric systems: Hermitian formalism

    NASA Astrophysics Data System (ADS)

    Buchdahl, H. A.

    1995-04-01

    The power series representing the characteristic function of a regular semisymmetric system involves four linearly independent rotational invariants XA (A=1,.. .,4) that jointly satisfy a quadratic identity. When the X A are appropriately chosen, this takes the form -(X1)2-(X2 )2-(X3)2+( X4)2=0 . The XA are thus the components of a null vector in a four-dimensional Euclidean space whose metric is gAB: =diag(-1,-1 ,-1,1) . Such a vector is equivalent to a simple 2-spinor xi alpha . The intrinsic presence of a spin vector in the formalism used hitherto suggests that it might be of advantage to replace the latter with an explicit 2-spinor formalism. A way of doing this is examined.

  15. Terrain correlation suitability

    NASA Astrophysics Data System (ADS)

    Tang, Wang; McClintock, Robert L.

    1994-07-01

    Terrain-aided navigation (TAN), also referred to as terrain correlation, is a technique that has proven to be highly successful as a navigational aid for autonomous, unmanned guided missiles. Qualitatively speaking, the effectiveness of terrain correlation is a function of signal- to-noise (S/N) ratio. The signal is equivalent to terrain roughness, while the noise is the combination of reference map errors, radar altimeter errors, and INS altitude errors. However, it is not practical to use only a single parameter, such as S/N, to define the suitability of terrain correlation. This paper discusses the shortcomings of the conventional single-parameter approach to the terrain contour matching algorithm (TERCOM) used in cruise missile guidance systems scene selection. A more comprehensive technique is then presented that analyzes the terrain correlation suitability based on a Monte Carlo simulation technique. A figure-of-merit (FOM) for terrain correlation suitability, computed from sample statistics, is introduced and simulation results are provided to illustrate the feasibility of using a multi-parameter FOM technique. The preliminary results indicate that the proposed approach could provide a cost effective enhancement to the TAN-based mission planning process.

  16. Formalizing the concept of sound.

    SciTech Connect

    Kaper, H. G.; Tipei, S.

    1999-08-03

    The notion of formalized music implies that a musical composition can be described in mathematical terms. In this article we explore some formal aspects of music and propose a framework for an abstract approach.

  17. Formalizing Space Shuttle Software Requirements

    NASA Technical Reports Server (NTRS)

    Crow, Judith; DiVito, Ben L.

    1996-01-01

    This paper describes two case studies in which requirements for new flight-software subsystems on NASA's Space Shuttle were analyzed, one using standard formal specification techniques, the other using state exploration. These applications serve to illustrate three main theses: (1) formal methods can complement conventional requirements analysis processes effectively, (2) formal methods confer benefits regardless of how extensively they are adopted and applied, and (3) formal methods are most effective when they are judiciously tailored to the application.

  18. Covariant Bardeen perturbation formalism

    NASA Astrophysics Data System (ADS)

    Vitenti, S. D. P.; Falciano, F. T.; Pinto-Neto, N.

    2014-05-01

    In a previous work we obtained a set of necessary conditions for the linear approximation in cosmology. Here we discuss the relations of this approach with the so-called covariant perturbations. It is often argued in the literature that one of the main advantages of the covariant approach to describe cosmological perturbations is that the Bardeen formalism is coordinate dependent. In this paper we will reformulate the Bardeen approach in a completely covariant manner. For that, we introduce the notion of pure and mixed tensors, which yields an adequate language to treat both perturbative approaches in a common framework. We then stress that in the referred covariant approach, one necessarily introduces an additional hypersurface choice to the problem. Using our mixed and pure tensors approach, we are able to construct a one-to-one map relating the usual gauge dependence of the Bardeen formalism with the hypersurface dependence inherent to the covariant approach. Finally, through the use of this map, we define full nonlinear tensors that at first order correspond to the three known gauge invariant variables Φ, Ψ and Ξ, which are simultaneously foliation and gauge invariant. We then stress that the use of the proposed mixed tensors allows one to construct simultaneously gauge and hypersurface invariant variables at any order.

  19. Hamiltonian formalism of minimal massive gravity

    NASA Astrophysics Data System (ADS)

    Mahdavian Yekta, Davood

    2015-09-01

    In this paper, we study the three-dimensional minimal massive gravity (MMG) in the Hamiltonian formalism. At first, we define the canonical gauge generators as building blocks in this formalism and then derive the canonical expressions for the asymptotic conserved charges. The construction of a consistent asymptotic structure of MMG requires introducing suitable boundary conditions. In the second step, we show that the Poisson bracket algebra of the improved canonical gauge generators produces an asymptotic gauge group, which includes two separable versions of the Virasoro algebras. For instance, we study the Banados-Teitelboim-Zanelli (BTZ) black hole as a solution of the MMG field equations, and the conserved charges give the energy and angular momentum of the BTZ black hole. Finally, we compute the black hole entropy from the Cardy formula in the dual conformal field theory and show our result is consistent with the value obtained by using the Smarr formula from the holographic principle.

  20. Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. III. Introduction of gauge-including atomic orbitals and a finite-size nuclear model

    NASA Astrophysics Data System (ADS)

    Hamaya, S.; Maeda, H.; Funaki, M.; Fukui, H.

    2008-12-01

    The relativistic calculation of nuclear magnetic shielding tensors in hydrogen halides is performed using the second-order regular approximation to the normalized elimination of the small component (SORA-NESC) method with the inclusion of the perturbation terms from the metric operator. This computational scheme is denoted as SORA-Met. The SORA-Met calculation yields anisotropies, Δσ =σ∥-σ⊥, for the halogen nuclei in hydrogen halides that are too small. In the NESC theory, the small component of the spinor is combined to the large component via the operator σ⃗ṡπ⃗U/2c, in which π⃗=p⃗+A⃗, U is a nonunitary transformation operator, and c ≅137.036 a.u. is the velocity of light. The operator U depends on the vector potential A⃗ (i.e., the magnetic perturbations in the system) with the leading order c-2 and the magnetic perturbation terms of U contribute to the Hamiltonian and metric operators of the system in the leading order c-4. It is shown that the small Δσ for halogen nuclei found in our previous studies is related to the neglect of the U(0,1) perturbation operator of U, which is independent of the external magnetic field and of the first order with respect to the nuclear magnetic dipole moment. Introduction of gauge-including atomic orbitals and a finite-size nuclear model is also discussed.

  1. Relativistic calculation of nuclear magnetic shielding tensor using the regular approximation to the normalized elimination of the small component. III. Introduction of gauge-including atomic orbitals and a finite-size nuclear model.

    PubMed

    Hamaya, S; Maeda, H; Funaki, M; Fukui, H

    2008-12-14

    The relativistic calculation of nuclear magnetic shielding tensors in hydrogen halides is performed using the second-order regular approximation to the normalized elimination of the small component (SORA-NESC) method with the inclusion of the perturbation terms from the metric operator. This computational scheme is denoted as SORA-Met. The SORA-Met calculation yields anisotropies, Delta sigma = sigma(parallel) - sigma(perpendicular), for the halogen nuclei in hydrogen halides that are too small. In the NESC theory, the small component of the spinor is combined to the large component via the operator sigma x piU/2c, in which pi = p + A, U is a nonunitary transformation operator, and c approximately = 137.036 a.u. is the velocity of light. The operator U depends on the vector potential A (i.e., the magnetic perturbations in the system) with the leading order c(-2) and the magnetic perturbation terms of U contribute to the Hamiltonian and metric operators of the system in the leading order c(-4). It is shown that the small Delta sigma for halogen nuclei found in our previous studies is related to the neglect of the U(0,1) perturbation operator of U, which is independent of the external magnetic field and of the first order with respect to the nuclear magnetic dipole moment. Introduction of gauge-including atomic orbitals and a finite-size nuclear model is also discussed.

  2. Mathematical and Formalized Epistemologies

    NASA Astrophysics Data System (ADS)

    Vallée, Robert

    A mathematical epistemology at the macroscopic level is proposed, based on the process of perception represented by an observation operator. The linear case introduces a Volterra composition with the two extreme cases of multiplication and convolution. Presented in terms of observation operators, are introduced the concepts of epistemological indiscernibility and of epistemological inverse transfer. The case of perception of duration is considered, as well as time-space selection and time-space filtering, which give rise to rather general modelings of familiar observation devices. If the observing system also has the ability to decide, a pragmatic operator, the product of observation and decision operators, may be introduced. It generates pragmatic indiscernibility and pragmatic inverse transfers. The resulting actions modify the evolution of the supersystem composed of the system and its environment, thereby creating a feedback loop allowing the construction of a mathematical epistemo-praxiology, which may be seen as a step toward other formal epistemologies not restricted to the macroscopic domain.

  3. The formal verification of generic interpreters

    NASA Technical Reports Server (NTRS)

    Windley, P.; Levitt, K.; Cohen, G. C.

    1991-01-01

    The task assignment 3 of the design and validation of digital flight control systems suitable for fly-by-wire applications is studied. Task 3 is associated with formal verification of embedded systems. In particular, results are presented that provide a methodological approach to microprocessor verification. A hierarchical decomposition strategy for specifying microprocessors is also presented. A theory of generic interpreters is presented that can be used to model microprocessor behavior. The generic interpreter theory abstracts away the details of instruction functionality, leaving a general model of what an interpreter does.

  4. Formal verification of AI software

    NASA Technical Reports Server (NTRS)

    Rushby, John; Whitehurst, R. Alan

    1989-01-01

    The application of formal verification techniques to Artificial Intelligence (AI) software, particularly expert systems, is investigated. Constraint satisfaction and model inversion are identified as two formal specification paradigms for different classes of expert systems. A formal definition of consistency is developed, and the notion of approximate semantics is introduced. Examples are given of how these ideas can be applied in both declarative and imperative forms.

  5. Formalized Epistemology, Logic, and Grammar

    NASA Astrophysics Data System (ADS)

    Bitbol, Michel

    The task of a formal epistemology is defined. It appears that a formal epistemology must be a generalization of "logic" in the sense of Wittgenstein's Tractatus. The generalization is required because, whereas logic presupposes a strict relation between activity and language, this relation may be broken in some domains of experimental enquiry (e.g., in microscopic physics). However, a formal epistemology should also retain a major feature of Wittgenstein's "logic": It must not be a discourse about scientific knowledge, but rather a way of making manifest the structures usually implicit in knowledge-gaining activity. This strategy is applied to the formalism of quantum mechanics.

  6. Formal, Non-Formal and Informal Learning in the Sciences

    ERIC Educational Resources Information Center

    Ainsworth, Heather L.; Eaton, Sarah Elaine

    2010-01-01

    This research report investigates the links between formal, non-formal and informal learning and the differences between them. In particular, the report aims to link these notions of learning to the field of sciences and engineering in Canada and the United States, including professional development of adults working in these fields. It offers…

  7. Ultrafast charge transfer and atomic orbital polarization

    SciTech Connect

    Deppe, M.; Foehlisch, A.; Hennies, F.; Nagasono, M.; Beye, M.; Sanchez-Portal, D.; Echenique, P. M.; Wurth, W.

    2007-11-07

    The role of orbital polarization for ultrafast charge transfer between an atomic adsorbate and a substrate is explored. Core hole clock spectroscopy with linearly polarized x-ray radiation allows to selectively excite adsorbate resonance states with defined spatial orientation relative to the substrate surface. For c(4x2)S/Ru(0001) the charge transfer times between the sulfur 2s{sup -1}3p*{sup +1} antibonding resonance and the ruthenium substrate have been studied, with the 2s electron excited into the 3p{sub perpendicular}* state along the surface normal and the 3p{sub parallel}* state in the surface plane. The charge transfer times are determined as 0.18{+-}0.07 and 0.84{+-}0.23 fs, respectively. This variation is the direct consequence of the different adsorbate-substrate orbital overlap.

  8. Habitat Suitability Index Models: Fallfish

    USGS Publications Warehouse

    Trial, Joan G.; Wade, Charles S.; Stanley, Jon G.; Nelson, Patrick C.

    1983-01-01

    A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for fallfish (Semotilis corporalis), a freshwater species. The models are scaled to produce an index of habitat suitability between 0 (unsuitable habitat) to 1 (optimally suitable habitat) for freshwater, marine and estuarine areas of the continental United States. Habitat suitability indexes (HSI's) are designed for use with the habitat evaluation procedures developed by the U.S. Fish and Wildlife Service. Also included are discussions of Suitability Index (SI) curves as used in the Instream Flow Incremental Methodology (IFIM) and SI curves available for an IFIM analysis of Fallfish habitat.

  9. Habitat Suitability Information: Blacknose dace

    USGS Publications Warehouse

    Trial, Joan G.; Stanley, Jon G.; Batcheller, Mary; Gebhart, Gary; Maughan, O. Eugene; Nelson, Patrick C.

    1983-01-01

    A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for Blacknose dace, a freshwater species. The models are scaled to produce an index of habitat suitability between 0 (unsuitable habitat) to 1 (optimally suitable habitat) for freshwater, marine, and estuarine areas of the continental United States. Habitat suitability indexes (HSI's) are designed for use with the habitat evaluation procedures developed by the U.S. Fish and Wildlife Service. Also included are discussions of Suitability Index (SI) curves as used in the Instream Flow Incremental Methodology (IFIM) and SI curves available for an IFIM analysis of Blacknose dace.

  10. NASA Formal Methods Workshop, 1990

    NASA Technical Reports Server (NTRS)

    Butler, Ricky W. (Compiler)

    1990-01-01

    The workshop brought together researchers involved in the NASA formal methods research effort for detailed technical interchange and provided a mechanism for interaction with representatives from the FAA and the aerospace industry. The workshop also included speakers from industry to debrief the formal methods researchers on the current state of practice in flight critical system design, verification, and certification. The goals were: define and characterize the verification problem for ultra-reliable life critical flight control systems and the current state of practice in industry today; determine the proper role of formal methods in addressing these problems, and assess the state of the art and recent progress toward applying formal methods to this area.

  11. Concepts of formal concept analysis

    NASA Astrophysics Data System (ADS)

    Žáček, Martin; Homola, Dan; Miarka, Rostislav

    2017-07-01

    The aim of this article is apply of Formal Concept Analysis on concept of world. Formal concept analysis (FCA) as a methodology of data analysis, information management and knowledge representation has potential to be applied to a verity of linguistic problems. FCA is mathematical theory for concepts and concept hierarchies that reflects an understanding of concept. Formal concept analysis explicitly formalizes extension and intension of a concept, their mutual relationships. A distinguishing feature of FCA is an inherent integration of three components of conceptual processing of data and knowledge, namely, the discovery and reasoning with concepts in data, discovery and reasoning with dependencies in data, and visualization of data, concepts, and dependencies with folding/unfolding capabilities.

  12. Formalism and functionalism in linguistics.

    PubMed

    Newmeyer, Frederick J

    2010-05-01

    Formalism and functionalism in linguistics are often taken to be diametrically opposed approaches. However, close examination of the relevant phenomena reveals that the two are complementary, rather than being irrevocably in opposition to each other. One can be a formal linguist and a functional linguist at the same time, without there being any contradiction. Copyright © 2010 John Wiley & Sons, Ltd. For further resources related to this article, please visit the WIREs website.

  13. The stable computation of formal orthogonal polynomials

    NASA Astrophysics Data System (ADS)

    Beckermann, Bernhard

    1996-12-01

    For many applications - such as the look-ahead variants of the Lanczos algorithm - a sequence of formal (block-)orthogonal polynomials is required. Usually, one generates such a sequence by taking suitable polynomial combinations of a pair of basis polynomials. These basis polynomials are determined by a look-ahead generalization of the classical three term recurrence, where the polynomial coefficients are obtained by solving a small system of linear equations. In finite precision arithmetic, the numerical orthogonality of the polynomials depends on a good choice of the size of the small systems; this size is usually controlled by a heuristic argument such as the condition number of the small matrix of coefficients. However, quite often it happens that orthogonality gets lost.

  14. Formalization of an environmental model using formal concept analysis - FCA

    NASA Astrophysics Data System (ADS)

    Bourdon-García, Rubén D.; Burgos-Salcedo, Javier D.

    2016-08-01

    Nowadays, there is a huge necessity to generate novel strategies for social-ecological systems analyses for resolving global sustainability problems. This paper has as main purpose the application of the formal concept analysis to formalize the theory of Augusto Ángel Maya, who without a doubt, was one of the most important environmental philosophers in South America; Ángel Maya proposed and established that Ecosystem-Culture relations, instead Human-Nature ones, are determinants in our understanding and management of natural resources. Based on this, a concept lattice, formal concepts, subconcept-superconcept relations, partially ordered sets, supremum and infimum of the lattice and implications between attributes (Duquenne-Guigues base), were determined for the ecosystem-culture relations.

  15. ADM canonical formalism for gravitating spinning objects

    SciTech Connect

    Steinhoff, Jan; Schaefer, Gerhard; Hergt, Steven

    2008-05-15

    In general relativity, systems of spinning classical particles are implemented into the canonical formalism of Arnowitt, Deser, and Misner [R. Arnowitt, S. Deser, and C. W. Misner, in Gravitation: An Introduction to Current Research, edited by L. Witten (Wiley, New York, 1962), p. 227; arXiv:gr-qc/0405109]. The implementation is made with the aid of a symmetric stress-energy tensor and not a 4-dimensional covariant action functional. The formalism is valid to terms linear in the single spin variables and up to and including the next-to-leading order approximation in the gravitational spin-interaction part. The field-source terms for the spinning particles occurring in the Hamiltonian are obtained from their expressions in Minkowski space with canonical variables through 3-dimensional covariant generalizations as well as from a suitable shift of projections of the curved spacetime stress-energy tensor originally given within covariant spin supplementary conditions. The applied coordinate conditions are the generalized isotropic ones introduced by Arnowitt, Deser, and Misner. As applications, the Hamiltonian of two spinning compact bodies with next-to-leading order gravitational spin-orbit coupling, recently obtained by Damour, Jaranowski, and Schaefer [Phys. Rev. D 77, 064032 (2008)], is rederived and the derivation of the next-to-leading order gravitational spin(1)-spin(2) Hamiltonian, shown for the first time in [J. Steinhoff, S. Hergt, and G. Schaefer, Phys. Rev. D 77, 081501(R) (2008)], is presented.

  16. Habitat Suitability Index Models: Pronghorn

    USGS Publications Warehouse

    Allen, Arthur W.; Cook, John G.; Armbruster, Michael J.

    1984-01-01

    This is one of a series of publications that provide information on the habitat requirements of selected fish and wildlife species. Literature describing the relationship between habitat variables related to life requisites and habitat suitability for the pronghorn (Antilocapra americana) are synthesized. These data are subsequently used to develop Habitat Suitability Index (HSI) models. The HSI models are designed to provide information that can be used in impact assessment and habitat management.

  17. The Formal Semantics of PVS

    NASA Technical Reports Server (NTRS)

    Owre, Sam; Shankar, Natarajan

    1999-01-01

    A specification language is a medium for expressing what is computed rather than how it is computed. Specification languages share some features with programming languages but are also different in several important ways. For our purpose, a specification language is a logic within which the behavior of computational systems can be formalized. Although a specification can be used to simulate the behavior of such systems, we mainly use specifications to state and prove system properties with mechanical assistance. We present the formal semantics of the specification language of SRI's Prototype Verification System (PVS). This specification language is based on the simply typed lambda calculus. The novelty in PVS is that it contains very expressive language features whose static analysis (e.g., typechecking) requires the assistance of a theorem prover. The formal semantics illuminates several of the design considerations underlying PVS, the interaction between theorem proving and typechecking.

  18. A brief overview of NASA Langley's research program in formal methods

    NASA Technical Reports Server (NTRS)

    1992-01-01

    An overview of NASA Langley's research program in formal methods is presented. The major goal of this work is to bring formal methods technology to a sufficiently mature level for use by the United States aerospace industry. Towards this goal, work is underway to design and formally verify a fault-tolerant computing platform suitable for advanced flight control applications. Also, several direct technology transfer efforts have been initiated that apply formal methods to critical subsystems of real aerospace computer systems. The research team consists of six NASA civil servants and contractors from Boeing Military Aircraft Company, Computational Logic Inc., Odyssey Research Associates, SRI International, University of California at Davis, and Vigyan Inc.

  19. Evidence Arguments for Using Formal Methods in Software Certification

    NASA Technical Reports Server (NTRS)

    Denney, Ewen W.; Pai, Ganesh

    2013-01-01

    We describe a generic approach for automatically integrating the output generated from a formal method/tool into a software safety assurance case, as an evidence argument, by (a) encoding the underlying reasoning as a safety case pattern, and (b) instantiating it using the data produced from the method/tool. We believe this approach not only improves the trustworthiness of the evidence generated from a formal method/tool, by explicitly presenting the reasoning and mechanisms underlying its genesis, but also provides a way to gauge the suitability of the evidence in the context of the wider assurance case. We illustrate our work by application to a real example-an unmanned aircraft system- where we invoke a formal code analysis tool from its autopilot software safety case, automatically transform the verification output into an evidence argument, and then integrate it into the former.

  20. Formal verification of mathematical software

    NASA Technical Reports Server (NTRS)

    Sutherland, D.

    1984-01-01

    Methods are investigated for formally specifying and verifying the correctness of mathematical software (software which uses floating point numbers and arithmetic). Previous work in the field was reviewed. A new model of floating point arithmetic called the asymptotic paradigm was developed and formalized. Two different conceptual approaches to program verification, the classical Verification Condition approach and the more recently developed Programming Logic approach, were adapted to use the asymptotic paradigm. These approaches were then used to verify several programs; the programs chosen were simplified versions of actual mathematical software.

  1. The Traps of Formal Correspondence.

    ERIC Educational Resources Information Center

    Albert, Sandor

    The dangers of translation are discussed when the translator does not try to create textual equivalence, but settles for formal correspondence (i.e., with simple transcoding at a linguistic level) during the process of translating. Difficulties of explaining, commenting, or summarizing rather than translating are also discussed. Pedagogical and…

  2. Habitat Suitability Index Models: Bluegill

    USGS Publications Warehouse

    Stuber, Robert J.; Gebhart, Glen; Maughan, O. Eugene

    1982-01-01

    A literature review encompassing habitat and species characteristics of the bluegill (Lepomis macrochirus) is followed by a discussion of the relationship of habitat variables and life requisites of this species. These data re then incorporated into Habitat Suitability Index models for the bluegill. This is one in a series of publications describing habitat requirements of selected fish and wildlife species. Numerous literature sources have been consulted in an effort to consolidate scientific data on species habitat relationships. These data have subsequently been synthesized into Habitat Suitability Index (HSI) models. the models are based on suitability indices formulated for variables found to affect the life cycle and survival of the species. The models are designed to be modified to evaluate specific habitat alterations using the HSI model building techniques presented in the U.S. Fish and Wildlife Service's Habitat Evaluation Procedures.

  3. Habitat Suitability Index Models: Marten

    USGS Publications Warehouse

    Allen, Arthur W.

    1982-01-01

    Habitat preferences and species characteristics of the pine marten (Martes americana) are described in this publication. It is one of a series of Habitat Suitability Index (HSI) models and was developed through an analysis of available scientific data on the species-habitat requirements of the pine marten. Habitat use information is presented in a review of the literature, followed by the development of a HSI model. The model is presented in three formats: graphic, word and mathematical. Suitability index graphs quantify the species-habitat relationship. These data are then synthesized into a model which is designed to provide information for use in impact assessment and habitat management activities.

  4. Habitat Suitability Index Models: Veery

    USGS Publications Warehouse

    Sousa, Patrick J.

    1982-01-01

    Habitat preferences and species characteristics of the veery (Catharus fuscesens) are described in this publication. It is one of a series of Habitat Suitability Index (HSI) models and was developed through an analysis of available scientific data on the habitat requirements of the veery. Habitat use information is presented in a review of the literature, followed by the development of an HSI model. The model is presented in three formats: graphic; word; and mathematical. Suitability index graphs quantify the species-habitat relationship. These data are synthesized into a model designed to provide information for use in impact assessment and habitat management.

  5. Landscape habitat suitability index software

    Treesearch

    William D. Dijak; Chadwick D. Rittenhouse; Michael A. Larson; Frank R. III Thompson; Joshua J. Millspaugh

    2007-01-01

    Habitat suitability index (HSI) models are traditionally used to evaluate habitat quality for wildlife at a local scale. Rarely have such models incorporated spatial relationships of habitat components. We introduce Landscape HSImodels, a new Microsoft Windowst (Microsoft, Redmond, WA)-based program that incorporates local habitat as well as landscape-scale attributes...

  6. Environmental Suitability for Leasing Property

    EPA Pesticide Factsheets

    This is a Memorandum of Understanding between the U.S. Environmental Protection Agency and the U.S. Department of Defense, regarding the procedures to determine environmental suitability for leasing property available as a result of a base closure or realignment.

  7. Formal Dining-In Handbook

    DTIC Science & Technology

    1983-01-01

    variety of source material. The primary research document was the booklet, Formal Dining -In, published by the 1st Battalion, The School E rigade , United...CHAPTER 1: Background on British Regimental Mess, CHAPTER II: Background on US Regimental b Mess: CHAPTER III: Standards for Dining-In 9 CHAPTER IV: E ...entertaining guests in the surroundings of traditions and customs of the regiment, served to make the officers aware of the luxuries of life . Young

  8. Formal development of a clock synchronization circuit

    NASA Technical Reports Server (NTRS)

    Miner, Paul S.

    1995-01-01

    This talk presents the latest stage in formal development of a fault-tolerant clock synchronization circuit. The development spans from a high level specification of the required properties to a circuit realizing the core function of the system. An abstract description of an algorithm has been verified to satisfy the high-level properties using the mechanical verification system EHDM. This abstract description is recast as a behavioral specification input to the Digital Design Derivation system (DDD) developed at Indiana University. DDD provides a formal design algebra for developing correct digital hardware. Using DDD as the principle design environment, a core circuit implementing the clock synchronization algorithm was developed. The design process consisted of standard DDD transformations augmented with an ad hoc refinement justified using the Prototype Verification System (PVS) from SRI International. Subsequent to the above development, Wilfredo Torres-Pomales discovered an area-efficient realization of the same function. Establishing correctness of this optimization requires reasoning in arithmetic, so a general verification is outside the domain of both DDD transformations and model-checking techniques. DDD represents digital hardware by systems of mutually recursive stream equations. A collection of PVS theories was developed to aid in reasoning about DDD-style streams. These theories include a combinator for defining streams that satisfy stream equations, and a means for proving stream equivalence by exhibiting a stream bisimulation. DDD was used to isolate the sub-system involved in Torres-Pomales' optimization. The equivalence between the original design and the optimized verified was verified in PVS by exhibiting a suitable bisimulation. The verification depended upon type constraints on the input streams and made extensive use of the PVS type system. The dependent types in PVS provided a useful mechanism for defining an appropriate bisimulation.

  9. Habitat Suitability Index Models: Bullfrog

    USGS Publications Warehouse

    Graves, Brent M.; Anderson, Stanley H.

    1987-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the bullfrog (Rana catesbeiana). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  10. Biopolymers suitable for space environments

    NASA Astrophysics Data System (ADS)

    Ouchen, Fahima; Yaney, Perry; Rau, Ileana; Kajzar, François; Grote, James

    2014-09-01

    This paper is a review of the properties of bio-based materials, to assess their suitability for space-based environments. Materials under investigation included salmon deoxyribonucleic acid (DNA)-based biopolymers and preliminary results of nucleobase materials. We will present optical damage thresholds, stability to ultraviolet light exposure, photodegradation, temperature stability for both the bulk and film form of the materials and gamma-ray irradiation. We have also included comparisons with more traditional polymers.

  11. Habitat Suitability Index Models: Bobcat

    USGS Publications Warehouse

    Boyle, Katherine A.; Fendley, Timothy T.

    1987-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the bobcat (Felis rufus). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  12. Habitat Suitability Index Models: Osprey

    USGS Publications Warehouse

    Vana-Miller, Sandra L.

    1987-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the osprey (Pandion haliaetus). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  13. Iran's Land Suitability for Agriculture.

    PubMed

    Mesgaran, Mohsen B; Madani, Kaveh; Hashemi, Hossein; Azadi, Pooya

    2017-08-09

    Increasing population has posed insurmountable challenges to agriculture in the provision of future food security, particularly in the Middle East and North Africa (MENA) region where biophysical conditions are not well-suited for agriculture. Iran, as a major agricultural country in the MENA region, has long been in the quest for food self-sufficiency, however, the capability of its land and water resources to realize this goal is largely unknown. Using very high-resolution spatial data sets, we evaluated the capacity of Iran's land for sustainable crop production based on the soil properties, topography, and climate conditions. We classified Iran's land suitability for cropping as (million ha): very good 0.4% (0.6), good 2.2% (3.6), medium 7.9% (12.8), poor 11.4% (18.5), very poor 6.3% (10.2), unsuitable 60.0% (97.4), and excluded areas 11.9% (19.3). In addition to overarching limitations caused by low precipitation, low soil organic carbon, steep slope, and high soil sodium content were the predominant soil and terrain factors limiting the agricultural land suitability in Iran. About 50% of the Iran's existing croplands are located in low-quality lands, representing an unsustainable practice. There is little room for cropland expansion to increase production but redistribution of cropland to more suitable areas may improve sustainability and reduce pressure on water resources, land, and ecosystem in Iran.

  14. Formal Inspection: A Tool for TQM

    NASA Technical Reports Server (NTRS)

    Welz, L.; Kelly, J.

    1995-01-01

    The goal of the Formal Inspection Program at the Jet Propulsion Laboratory (JPL) is to support projects wishing to use Formal Inspections to improve the quality of software and system level engineering products.

  15. Formalizing the Analysis of Algorithms.

    DTIC Science & Technology

    1979-06-01

    worst case or in the average case. For the parameter A, the worst case analysis is no challenge . First, since the if-test is only performed once per...use of a counter variable; this approach was introduced by Knuth [ exercise 1.2.1-13 in 18]. We can add to the program a new variable C, set initially...encoded. Value of the Proposed System. It is worthwhile pausing for a moment to attempt to assess the benefits that such a formal system might have

  16. On Vasyliunas's equivalent conductivity formalism

    NASA Technical Reports Server (NTRS)

    Pontius, D. H., Jr.

    1992-01-01

    The Vasyliunas's (1972) equivalent conductivity formalism (ECF) for representing the coupling of the ionosphere and the magnetosphere is discussed, and a new, simpler, derivation is presented of the ECF, in which certain of the underlying assumptions and their implications are made transparent. The derivation presented indicates that the only role of the ions in the ECF is to insure quasi-neutrality. It is shown that the ECF is not as robust as usually assumed and that caution must be used to insure that reasonable results are obtained.

  17. The formal de Rham complex

    NASA Astrophysics Data System (ADS)

    Zharinov, V. V.

    2013-02-01

    We propose a formal construction generalizing the classic de Rham complex to a wide class of models in mathematical physics and analysis. The presentation is divided into a sequence of definitions and elementary, easily verified statements; proofs are therefore given only in the key case. Linear operations are everywhere performed over a fixed number field {F} = {R},{C}. All linear spaces, algebras, and modules, although not stipulated explicitly, are by definition or by construction endowed with natural locally convex topologies, and their morphisms are continuous.

  18. Knowledge formalization of intelligent building

    NASA Astrophysics Data System (ADS)

    Žáček, Martin

    2016-06-01

    This article aim is understanding the basic knowledge about an intelligent building. The notion of the intelligent building can be called any building equipped with computer and communication technology, which can automatically respond to internal or external stimuli. The result of the intelligent building is an automated and foreseeing of activities that enable to reduce operating costs and increase comfort. The best way to use the intelligent building is for a low-energy building, a passive building, or for building with high savings. The output of this article is the formalization of basic knowledge of the intelligent building by RDF graph.

  19. Habitat Suitability Index Models: Beaver

    USGS Publications Warehouse

    Allen, Arthur W.

    1982-01-01

    Habitat preferences of the beaver (Castor canadensis) are described in this publication, which is one of a series of Habitat Suitability Index (HSI) models. Habitat use information is presented in a synthesis of the literature on the species-habitat requirements of the beaver, followed by the development of the HSI model. The model is designed to provide information for use in impact assessment and habitat management activities, and should be used in conjunction with habitat evaluation procedures previously developed by the Fish and Wildlife Service. This revised model updates the original publication dated September 1982.

  20. Comment: universality of formal operational thought.

    PubMed

    Mwamwenda, T S

    1992-08-01

    Piaget suggested four stages of development (sensorimotor, preoperational, concrete and formal operations) may be universally observed, but only the first three have been confirmed because few people attain formal operations. Both Westerners and Africans may attain formal operations, however, given the way they reason and interact in their milieu.

  1. 47 CFR 8.12 - Formal complaints.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 1 2014-10-01 2014-10-01 false Formal complaints. 8.12 Section 8.12 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL PRESERVING THE OPEN INTERNET § 8.12 Formal complaints. Any person may file a formal complaint alleging a violation of the rules in this part....

  2. 47 CFR 8.12 - Formal complaints.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 1 2012-10-01 2012-10-01 false Formal complaints. 8.12 Section 8.12 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL PRESERVING THE OPEN INTERNET § 8.12 Formal complaints. Any person may file a formal complaint alleging a violation of the rules in this part....

  3. 47 CFR 8.12 - Formal complaints.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 1 2013-10-01 2013-10-01 false Formal complaints. 8.12 Section 8.12 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL PRESERVING THE OPEN INTERNET § 8.12 Formal complaints. Any person may file a formal complaint alleging a violation of the rules in this part....

  4. 47 CFR 8.12 - Formal Complaints.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 1 2011-10-01 2011-10-01 false Formal Complaints. 8.12 Section 8.12 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL PRESERVING THE OPEN INTERNET § 8.12 Formal Complaints. Any person may file a formal complaint alleging a violation of the rules in this part....

  5. Review of current actuator suitability for use in medical implants.

    PubMed

    Szczesny, Spencer; Jetzki, Stefanie; Leonhardt, Steffen

    2006-01-01

    This paper presents an initial formal review of the suitability of currently available actuation technologies for use in fully implantable medical devices, with a focus on applications requiring linear motion. Examples of such applications are a mechatronic hydrocephalus shunt and implantable insulin pumps. Some general basic requirements for fully implantable devices are discussed, followed by an overview of potential actuators. Possible design concepts are presented for electromagnetic and shape memory technologies, including a comparison of their respective pros and cons. Methods of modeling and analysis are given to aid early decision-making processes for general design applications. Finally, other more complicated but attractive actuation possibilities are discussed.

  6. Formal groups and Z-entropies

    NASA Astrophysics Data System (ADS)

    Tempesta, Piergiulio

    2016-11-01

    We shall prove that the celebrated Rényi entropy is the first example of a new family of infinitely many multi-parametric entropies. We shall call them the Z-entropies. Each of them, under suitable hypotheses, generalizes the celebrated entropies of Boltzmann and Rényi. A crucial aspect is that every Z-entropy is composable (Tempesta 2016 Ann. Phys. 365, 180-197. (doi:10.1016/j.aop.2015.08.013)). This property means that the entropy of a system which is composed of two or more independent systems depends, in all the associated probability space, on the choice of the two systems only. Further properties are also required to describe the composition process in terms of a group law. The composability axiom, introduced as a generalization of the fourth Shannon-Khinchin axiom (postulating additivity), is a highly non-trivial requirement. Indeed, in the trace-form class, the Boltzmann entropy and Tsallis entropy are the only known composable cases. However, in the non-trace form class, the Z-entropies arise as new entropic functions possessing the mathematical properties necessary for information-theoretical applications, in both classical and quantum contexts. From a mathematical point of view, composability is intimately related to formal group theory of algebraic topology. The underlying group-theoretical structure determines crucially the statistical properties of the corresponding entropies.

  7. Formal groups and Z-entropies.

    PubMed

    Tempesta, Piergiulio

    2016-11-01

    We shall prove that the celebrated Rényi entropy is the first example of a new family of infinitely many multi-parametric entropies. We shall call them the Z-entropies. Each of them, under suitable hypotheses, generalizes the celebrated entropies of Boltzmann and Rényi. A crucial aspect is that every Z-entropy is composable (Tempesta 2016 Ann. Phys.365, 180-197. (doi:10.1016/j.aop.2015.08.013)). This property means that the entropy of a system which is composed of two or more independent systems depends, in all the associated probability space, on the choice of the two systems only. Further properties are also required to describe the composition process in terms of a group law. The composability axiom, introduced as a generalization of the fourth Shannon-Khinchin axiom (postulating additivity), is a highly non-trivial requirement. Indeed, in the trace-form class, the Boltzmann entropy and Tsallis entropy are the only known composable cases. However, in the non-trace form class, the Z-entropies arise as new entropic functions possessing the mathematical properties necessary for information-theoretical applications, in both classical and quantum contexts. From a mathematical point of view, composability is intimately related to formal group theory of algebraic topology. The underlying group-theoretical structure determines crucially the statistical properties of the corresponding entropies.

  8. Formal Methods at Intel - An Overview

    NASA Technical Reports Server (NTRS)

    Harrison, John

    2010-01-01

    Since the 1990s, Intel has invested heavily in formal methods, which are now deployed in several domains: hardware, software, firmware, protocols etc. Many different formal methods tools and techniques are in active use, including symbolic trajectory evaluation, temporal logic model checking, SMT-style combined decision procedures, and interactive higher-order logic theorem proving. I will try to give a broad overview of some of the formal methods activities taking place at Intel, and describe the challenges of extending formal verification to new areas and of effectively using multiple formal techniques in combination

  9. A Comparison of Participation Patterns in Selected Formal, Non-Formal, and Informal Online Learning Environments

    ERIC Educational Resources Information Center

    Schwier, Richard A.; Seaton, J. X.

    2013-01-01

    Does learner participation vary depending on the learning context? Are there characteristic features of participation evident in formal, non-formal, and informal online learning environments? Six online learning environments were chosen as epitomes of formal, non-formal, and informal learning contexts and compared. Transcripts of online…

  10. Formal methods technology transfer: Some lessons learned

    NASA Technical Reports Server (NTRS)

    Hamilton, David

    1992-01-01

    IBM has a long history in the application of formal methods to software development and verification. There have been many successes in the development of methods, tools and training to support formal methods. And formal methods have been very successful on several projects. However, the use of formal methods has not been as widespread as hoped. This presentation summarizes several approaches that have been taken to encourage more widespread use of formal methods, and discusses the results so far. The basic problem is one of technology transfer, which is a very difficult problem. It is even more difficult for formal methods. General problems of technology transfer, especially the transfer of formal methods technology, are also discussed. Finally, some prospects for the future are mentioned.

  11. Identification of process suitable diluent

    SciTech Connect

    Dean R. Peterman

    2014-01-01

    The Sigma Team for Minor Actinide Separation (STMAS) was formed within the USDOE Fuel Cycle Research and Development (FCRD) program in order to develop more efficient methods for the separation of americium and other minor actinides (MA) from used nuclear fuel. The development of processes for MA separations is driven by the potential benefits; reduced long-term radiotoxicty of waste placed in a geologic repository, reduced timeframe of waste storage, reduced repository heat load, the possibility of increased repository capacity, and increased utilization of energy potential of used nuclear fuel. The research conducted within the STMAS framework is focused upon the realization of significant simplifications to aqueous recycle processes proposed for MA separations. This report describes the research efforts focused upon the identification of a process suitable diluent for a flowsheet concept for the separation of MA which is based upon the dithiophosphinic acid (DPAH) extractants previously developed at the Idaho National Laboratory (INL).

  12. Formal analysis of electromagnetic optics

    NASA Astrophysics Data System (ADS)

    Khan-Afshar, Sanaz; Hasan, Osman; Tahar, Sofiène

    2014-09-01

    Optical systems are increasingly being used in safety-critical applications. Due to the complexity and sensitivity of optical systems, their verification raises many challenges for engineers. Traditionally, the analysis of such systems has been carried out by paper-and-pencil based proofs and numerical computations. However, these techniques cannot provide accurate results due to the risk of human error and inherent approximations of numerical algorithms. In order to overcome these limitations, we propose to use theorem proving (i.e., a computer-based technique that allows to express mathematical expressions and reason about their correctness by taking into account all the details of mathematical reasoning) as a complementary approach to improve optical system analysis. This paper provides a higher-order logic (a language used to express mathematical theories) formalization of electromagnetic optics in the HOL Light theorem prover. In order to demonstrate the practical effectiveness of our approach, we present the analysis of resonant cavity enhanced photonic devices.

  13. Tensor formalism in anharmonic calculations

    NASA Astrophysics Data System (ADS)

    Nero, N.

    1984-11-01

    A new method is presented to compute cartesian tensors in the expansion of curvilinear internal coordinates. Second- and higher-order coefficients are related to the metrics of the space of displacements. Components of the metric tensor are taken from existing tables of inverse kinetic energy matrix elements or, when rotations are involved, derived from general invariance conditions of scalars within a molecule. This leads to a tensor formalism particularly convenient in dealing with curvilinear coordinates in anharmonic calculations of vibrational frequencies. Formulae are given for elements of the potential energy matrix, related to quadratic and cubic force constants in terms of Christoffel symbols. The latter quantities are also used in the expansion of redundancy relations, with explicit coefficients given up to the third order.

  14. 10 CFR 963.11 - Suitability determination.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.11 Suitability determination. DOE will evaluate whether the Yucca Mountain site is suitable... determinations described in §§ 963.12 and 963.15. If DOE's evaluation of the Yucca Mountain site for the location...

  15. 10 CFR 963.11 - Suitability determination.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.11 Suitability determination. DOE will evaluate whether the Yucca Mountain site is suitable... determinations described in §§ 963.12 and 963.15. If DOE's evaluation of the Yucca Mountain site for the location...

  16. 10 CFR 963.11 - Suitability determination.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.11 Suitability determination. DOE will evaluate whether the Yucca Mountain site is suitable... determinations described in §§ 963.12 and 963.15. If DOE's evaluation of the Yucca Mountain site for the location...

  17. 10 CFR 963.11 - Suitability determination.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.11 Suitability determination. DOE will evaluate whether the Yucca Mountain site is suitable... determinations described in §§ 963.12 and 963.15. If DOE's evaluation of the Yucca Mountain site for the location...

  18. 10 CFR 963.11 - Suitability determination.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.11 Suitability determination. DOE will evaluate whether the Yucca Mountain site is suitable... determinations described in §§ 963.12 and 963.15. If DOE's evaluation of the Yucca Mountain site for the location...

  19. Formal verification of automated teller machine systems using SPIN

    NASA Astrophysics Data System (ADS)

    Iqbal, Ikhwan Mohammad; Adzkiya, Dieky; Mukhlash, Imam

    2017-08-01

    Formal verification is a technique for ensuring the correctness of systems. This work focuses on verifying a model of the Automated Teller Machine (ATM) system against some specifications. We construct the model as a state transition diagram that is suitable for verification. The specifications are expressed as Linear Temporal Logic (LTL) formulas. We use Simple Promela Interpreter (SPIN) model checker to check whether the model satisfies the formula. This model checker accepts models written in Process Meta Language (PROMELA), and its specifications are specified in LTL formulas.

  20. One-parameter formal deformations of Hom-Lie-Yamaguti algebras

    NASA Astrophysics Data System (ADS)

    Ma, Yao; Chen, Liangyun; Lin, Jie

    2015-01-01

    This paper studies one-parameter formal deformations of Hom-Lie-Yamaguti algebras. The first, second, and third cohomology groups on Hom-Lie-Yamaguti algebras extending ones on Lie-Yamaguti algebras are provided. It is proved that first and second cohomology groups are suitable to the deformation theory involving infinitesimals, equivalent deformations, and rigidity. However, the third cohomology group is not suitable for the obstructions.

  1. Survey of Existing Tools for Formal Verification.

    SciTech Connect

    Punnoose, Ratish J.; Armstrong, Robert C.; Wong, Matthew H.; Jackson, Mayo

    2014-12-01

    Formal methods have come into wide use because of their effectiveness in verifying "safety and security" requirements of digital systems; a set of requirements for which testing is mostly ineffective. Formal methods are routinely used in the design and verification of high-consequence digital systems in industry. This report outlines our work in assessing the capabilities of commercial and open source formal tools and the ways in which they can be leveraged in digital design workflows.

  2. Verification Games: Crowd-Sourced Formal Verification

    DTIC Science & Technology

    2016-03-01

    Formal Verification the verification tools developed by the Programming Languages and Software Engineering group were improved. A series of games... software makes it imperative to find more effective and efficient mechanisms for improving software reliability. Formal verification is an important part...of this effort, since it is the only way to be certain that a given piece of software is free of (certain types of) errors. To date, formal

  3. M-Theory in the Gaugeon Formalism

    NASA Astrophysics Data System (ADS)

    Mir, Faizal

    2012-04-01

    In this paper we will analyse the Aharony-Bergman-Jafferis-Maldacena (ABJM) theory in superspace formalism. We then study the quantum gauge transformations for this ABJM theory in gaugeon formalism. We will also analyse the extended BRST symmetry for this ABJM theory in gaugeon formalism and show that these BRST transformations for this theory are nilpotent and this in turn leads to the unitary evolution of the S-matrix.

  4. Formalization of algorithms for relational database machines

    SciTech Connect

    Ryvkin, V.M.; Komarov, P.I.; Nazarov, A.S.

    1986-11-01

    This paper applies the apparatus of algorithmic algebras to formalize the mapping of the relational algebra language into the internal database processor language. The apparatus is a popular tool for formal structured description of parallel algorithms. The MUL'TIPROTSESSIST automatic parallel program design system using systems of algorithmic algebras may be applied to automate the design of database machine operating algorithms in experimental research and to formalize the parallel organization of interpretation algorithms for the relational algebraic operations.

  5. Universal formalism of Fano resonance

    SciTech Connect

    Huang, Liang; Lai, Ying-Cheng; Luo, Hong-Gang; Grebogi, Celso

    2015-01-15

    The phenomenon of Fano resonance is ubiquitous in a large variety of wave scattering systems, where the resonance profile is typically asymmetric. Whether the parameter characterizing the asymmetry should be complex or real is an issue of great experimental interest. Using coherent quantum transport as a paradigm and taking into account of the collective contribution from all available scattering channels, we derive a universal formula for the Fano-resonance profile. We show that our formula bridges naturally the traditional Fano formulas with complex and real asymmetry parameters, indicating that the two types of formulas are fundamentally equivalent (except for an offset). The connection also reveals a clear footprint for the conductance resonance during a dephasing process. Therefore, the emergence of complex asymmetric parameter when fitting with experimental data needs to be properly interpreted. Furthermore, we have provided a theory for the width of the resonance, which relates explicitly the width to the degree of localization of the close-by eigenstates and the corresponding coupling matrices or the self-energies caused by the leads. Our work not only resolves the issue about the nature of the asymmetry parameter, but also provides deeper physical insights into the origin of Fano resonance. Since the only assumption in our treatment is that the transport can be described by the Green’s function formalism, our results are also valid for broad disciplines including scattering problems of electromagnetic waves, acoustics, and seismology.

  6. Anyons in the operational formalism

    SciTech Connect

    Neori, Klil H.; Goyal, Philip

    2015-01-13

    The operational formalism to quantum mechanics seeks to base the theory on a firm foundation of physically well-motivated axioms [1]. It has succeeded in deriving the Feynman rules [2] for general quantum systems. Additional elaborations have applied the same logic to the question of identical particles, confirming the so-called Symmetrization Postulate [3]: that the only two options available are fermions and bosons [4, 5]. However, this seems to run counter to results in two-dimensional systems, which allow for anyons, particles with statistics which interpolate between Fermi-Dirac and Bose-Einstein (see [6] for a review). In this talk we will show that the results in two dimensions can be made compatible with the operational results. That is, we will show that anyonic behavior is a result of the topology of the space in two dimensions [7], and does not depend on the particles being identical; but that nevertheless, if the particles are identical, the resulting system is still anyonic.

  7. Formal Methods for Life-Critical Software

    NASA Technical Reports Server (NTRS)

    Butler, Ricky W.; Johnson, Sally C.

    1993-01-01

    The use of computer software in life-critical applications, such as for civil air transports, demands the use of rigorous formal mathematical verification procedures. This paper demonstrates how to apply formal methods to the development and verification of software by leading the reader step-by-step through requirements analysis, design, implementation, and verification of an electronic phone book application. The current maturity and limitations of formal methods tools and techniques are then discussed, and a number of examples of the successful use of formal methods by industry are cited.

  8. The Second NASA Formal Methods Workshop 1992

    NASA Technical Reports Server (NTRS)

    Johnson, Sally C. (Compiler); Holloway, C. Michael (Compiler); Butler, Ricky W. (Compiler)

    1992-01-01

    The primary goal of the workshop was to bring together formal methods researchers and aerospace industry engineers to investigate new opportunities for applying formal methods to aerospace problems. The first part of the workshop was tutorial in nature. The second part of the workshop explored the potential of formal methods to address current aerospace design and verification problems. The third part of the workshop involved on-line demonstrations of state-of-the-art formal verification tools. Also, a detailed survey was filled in by the attendees; the results of the survey are compiled.

  9. Third NASA Langley Formal Methods Workshop

    NASA Technical Reports Server (NTRS)

    Holloway, C. Michael (Compiler)

    1995-01-01

    This publication constitutes the proceedings of NASA Langley Research Center's third workshop on the application of formal methods to the design and verification of life-critical systems. This workshop brought together formal methods researchers, industry engineers, and academicians to discuss the potential of NASA-sponsored formal methods and to investigate new opportunities for applying these methods to industry problems. contained herein are copies of the material presented at the workshop, summaries of many of the presentations, a complete list of attendees, and a detailed summary of the Langley formal methods program. Much of this material is available electronically through the World-Wide Web via the following URL.

  10. Directly executable formal models of middleware for MANET and Cloud Networking and Computing

    NASA Astrophysics Data System (ADS)

    Pashchenko, D. V.; Sadeq Jaafar, Mustafa; Zinkin, S. A.; Trokoz, D. A.; Pashchenko, T. U.; Sinev, M. P.

    2016-04-01

    The article considers some “directly executable” formal models that are suitable for the specification of computing and networking in the cloud environment and other networks which are similar to wireless networks MANET. These models can be easily programmed and implemented on computer networks.

  11. Enantiodivergent formal synthesis of (+)- and (-)-cyclophellitol from D-xylose based on the latent symmetry concept.

    PubMed

    Kireev, Artem S; Breithaupt, August T; Collins, William; Nadein, Oleg N; Kornienko, Alexander

    2005-01-21

    Formal synthesis of (+)- and (-)-cyclophellitol from d-xylose has been accomplished through utilization of the latent plane of chirality present in the starting carbohydrate. The synthetic pathway is suitable for preparation and biological evaluation of cyclophellitol analogues in both enantiomeric series.

  12. Formal language constrained path problems

    SciTech Connect

    Barrett, C.; Jacob, R.; Marathe, M.

    1997-07-08

    In many path finding problems arising in practice, certain patterns of edge/vertex labels in the labeled graph being traversed are allowed/preferred, while others are disallowed. Motivated by such applications as intermodal transportation planning, the authors investigate the complexity of finding feasible paths in a labeled network, where the mode choice for each traveler is specified by a formal language. The main contributions of this paper include the following: (1) the authors show that the problem of finding a shortest path between a source and destination for a traveler whose mode choice is specified as a context free language is solvable efficiently in polynomial time, when the mode choice is specified as a regular language they provide algorithms with improved space and time bounds; (2) in contrast, they show that the problem of finding simple paths between a source and a given destination is NP-hard, even when restricted to very simple regular expressions and/or very simple graphs; (3) for the class of treewidth bounded graphs, they show that (i) the problem of finding a regular language constrained simple path between source and a destination is solvable in polynomial time and (ii) the extension to finding context free language constrained simple paths is NP-complete. Several extensions of these results are presented in the context of finding shortest paths with additional constraints. These results significantly extend the results in [MW95]. As a corollary of the results, they obtain a polynomial time algorithm for the BEST k-SIMILAR PATH problem studied in [SJB97]. The previous best algorithm was given by [SJB97] and takes exponential time in the worst case.

  13. Habitat Suitability Index Models: Wood duck

    USGS Publications Warehouse

    Sousa, Patrick J.; Farmer, Adrian H.

    1983-01-01

    A review and synthesis of existing information were used to develop models for breeding and wintering habitats for the wood duck (Aix sponsa). The models are scaled to produce indices of habitat suitability between 0 (unsuitable habitat) and 1 (optimally suitable habitat). Habitat suitability indices are designed for use with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  14. 45 CFR 12a.4 - Suitability determination.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... PROPERTY TO ASSIST THE HOMELESS § 12a.4 Suitability determination. (a) Suitability determination. Within 30... § 12a.6, which properties are suitable for use as facilities to assist the homeless and report its... use as a facility to assist the homeless without regard to any particular use. (c)...

  15. 45 CFR 12a.4 - Suitability determination.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... PROPERTY TO ASSIST THE HOMELESS § 12a.4 Suitability determination. (a) Suitability determination. Within 30... § 12a.6, which properties are suitable for use as facilities to assist the homeless and report its... use as a facility to assist the homeless without regard to any particular use. (c)...

  16. 45 CFR 12a.4 - Suitability determination.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... PROPERTY TO ASSIST THE HOMELESS § 12a.4 Suitability determination. (a) Suitability determination. Within 30... § 12a.6, which properties are suitable for use as facilities to assist the homeless and report its... use as a facility to assist the homeless without regard to any particular use. (c)...

  17. 45 CFR 12a.4 - Suitability determination.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... PROPERTY TO ASSIST THE HOMELESS § 12a.4 Suitability determination. (a) Suitability determination. Within 30... § 12a.6, which properties are suitable for use as facilities to assist the homeless and report its... use as a facility to assist the homeless without regard to any particular use. (c)...

  18. 45 CFR 12a.4 - Suitability determination.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... PROPERTY TO ASSIST THE HOMELESS § 12a.4 Suitability determination. (a) Suitability determination. Within 30... § 12a.6, which properties are suitable for use as facilities to assist the homeless and report its... use as a facility to assist the homeless without regard to any particular use. (c)...

  19. 14 CFR 302.20 - Formal intervention.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Formal intervention. 302.20 Section 302.20... Proceedings § 302.20 Formal intervention. (a) Who may intervene. Any person who has a statutory right to be... whose intervention will be conducive to the public interest and will not unduly delay the conduct of...

  20. 18 CFR 1b.5 - Formal investigations.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 18 Conservation of Power and Water Resources 1 2013-04-01 2013-04-01 false Formal investigations. 1b.5 Section 1b.5 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION, DEPARTMENT OF ENERGY GENERAL RULES RULES RELATING TO INVESTIGATIONS § 1b.5 Formal investigations. The...

  1. 18 CFR 1b.5 - Formal investigations.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 18 Conservation of Power and Water Resources 1 2012-04-01 2012-04-01 false Formal investigations. 1b.5 Section 1b.5 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION, DEPARTMENT OF ENERGY GENERAL RULES RULES RELATING TO INVESTIGATIONS § 1b.5 Formal investigations. The...

  2. Coefficient rings of formal group laws

    SciTech Connect

    Buchstaber, V M; Ustinov, A V

    2015-11-30

    We describe the coefficient rings of universal formal group laws which arise in algebraic geometry, algebraic topology and their application to mathematical physics. We also describe the homomorphisms of these coefficient rings coming from reductions of one formal group law to another. The proofs are based on the number-theoretic properties of binomial coefficients. Bibliography: 37 titles.

  3. Formal hardware verification of digital circuits

    NASA Technical Reports Server (NTRS)

    Joyce, J.; Seger, C.-J.

    1991-01-01

    The use of formal methods to verify the correctness of digital circuits is less constrained by the growing complexity of digital circuits than conventional methods based on exhaustive simulation. This paper briefly outlines three main approaches to formal hardware verification: symbolic simulation, state machine analysis, and theorem-proving.

  4. The Hierarchical Structure of Formal Operational Tasks.

    ERIC Educational Resources Information Center

    Bart, William M.; Mertens, Donna M.

    1979-01-01

    The hierarchical structure of the formal operational period of Piaget's theory of cognitive development was explored through the application of ordering theoretical methods to a set of data that systematically utilized the various formal operational schemes. Results suggested a common structure underlying task performance. (Author/BH)

  5. Multiverse in the Third Quantized Formalism

    NASA Astrophysics Data System (ADS)

    Mir, Faizal

    2014-11-01

    In this paper we will analyze the third quantization of gravity in path integral formalism. We will use the time-dependent version of Wheeler—DeWitt equation to analyze the multiverse in this formalism. We will propose a mechanism for baryogenesis to occur in the multiverse, without violating the baryon number conservation.

  6. The Hierarchical Structure of Formal Operational Tasks.

    ERIC Educational Resources Information Center

    Bart, William M.; Mertens, Donna M.

    1979-01-01

    The hierarchical structure of the formal operational period of Piaget's theory of cognitive development was explored through the application of ordering theoretical methods to a set of data that systematically utilized the various formal operational schemes. Results suggested a common structure underlying task performance. (Author/BH)

  7. Formal Mentoring Programs and Organizational Attraction

    ERIC Educational Resources Information Center

    Allen, Tammy D.; O'Brien, Kimberly E.

    2006-01-01

    This study was designed to test if formal mentoring programs enhance organizational attraction. Participants were 190 undergraduates looking for a job related to their major. Results indicated that participants were more attracted to an organization when it was depicted as having a formal mentoring program than when it was not so depicted. Drawing…

  8. Formalisms for user interface specification and design

    NASA Technical Reports Server (NTRS)

    Auernheimer, Brent J.

    1989-01-01

    The application of formal methods to the specification and design of human-computer interfaces is described. A broad outline of human-computer interface problems, a description of the field of cognitive engineering and two relevant research results, the appropriateness of formal specification techniques, and potential NASA application areas are described.

  9. Formal Moral Education and Individual Moral Development.

    ERIC Educational Resources Information Center

    Friend, Gary Gene

    This report provides a summarization of a study designed to determine if there is a significant relationship between formal religious education and the moral judgment development of college students, and after controlling for formal religious education, to see if there was also a significant relationship between the educational environment or…

  10. Integrating Formal and Informal Learning at Work

    ERIC Educational Resources Information Center

    Svensson, Lennart; Ellstrom, Per-Erik; Aberg, Carina

    2004-01-01

    A model for workplace learning is presented, which intends to integrate formal and informal learning with the use of e-learning. An important underlying assumption is that the integration of formal and informal learning is necessary in order to create desirable competencies, from both an individual and an organisational perspective. Two case…

  11. Structuring the formal definition of Ada

    NASA Technical Reports Server (NTRS)

    Hansen, Kurt W.

    1986-01-01

    The structure of the formal definition of Ada are described. At present, a difficult subset of Ada has been defined and the experience gained so far by this work is reported. Currently, the work continues towards the formal definition of the Ada language.

  12. Opinion dynamics model based on quantum formalism

    SciTech Connect

    Artawan, I. Nengah; Trisnawati, N. L. P.

    2016-03-11

    Opinion dynamics model based on quantum formalism is proposed. The core of the quantum formalism is on the half spin dynamics system. In this research the implicit time evolution operators are derived. The analogy between the model with Deffuant dan Sznajd models is discussed.

  13. Restorative Practices as Formal and Informal Education

    ERIC Educational Resources Information Center

    Carter, Candice C.

    2013-01-01

    This article reviews restorative practices (RP) as education in formal and informal contexts of learning that are fertile sites for cultivating peace. Formal practices involve instruction about response to conflict, while informal learning occurs beyond academic lessons. The research incorporated content analysis and a critical examination of the…

  14. Male-Female Differences in Formal Thought.

    ERIC Educational Resources Information Center

    Linn, Marcia C.

    Two studies were conducted to clarify the influence of experiences and aptitudes on male-female differences in formal thought. Participants were 788 seventh-, ninth-, and eleventh-graders in three school districts differing in location, socioeconomic composition, and course offerings. Formal thought was measured with tasks involving proportional…

  15. Integrating Formal and Informal Learning at Work

    ERIC Educational Resources Information Center

    Svensson, Lennart; Ellstrom, Per-Erik; Aberg, Carina

    2004-01-01

    A model for workplace learning is presented, which intends to integrate formal and informal learning with the use of e-learning. An important underlying assumption is that the integration of formal and informal learning is necessary in order to create desirable competencies, from both an individual and an organisational perspective. Two case…

  16. Formal Validation of OFEPSP+ with AVISPA

    NASA Astrophysics Data System (ADS)

    Hernandez-Ardieta, Jorge L.; Gonzalez-Tablas, Ana I.; Ramos, Benjamin

    Formal validation of security protocols is of utmost importance before they gain market or academic acceptance. In particular, the results obtained from the formal validation of the improved Optimistic Fair Exchange Protocol based on Signature Policies (OFEPSP+) are presented. OFEPSP+ ensures that no party gains an unfair advantage over the other during the protocol execution, while substantially reducing the probability of a successful attack on the protocol due to a compromise of the signature creation environment. We have used the Automated Validation of Internet Security Protocols and Applications (AVISPA) and the Security Protocol ANimator for AVISPA (SPAN), two powerful automated reasoning technique tools to formally specify and validate security protocols for the Internet.

  17. Covariant Quantisation in the Antifield Formalism

    NASA Astrophysics Data System (ADS)

    Vandoren, S.

    1996-01-01

    In this thesis we give an overview of the antifield formalism and show how it must be used to quantise arbitrary gauge theories. The formalism is further developed and illustrated in several examples, including Yang-Mills theory, chiral W_3 and W_{2,5/2} gravity, strings in curved backgrounds and topological field theories. All these models are characterised by their gauge algebra, which can be open, reducible, or even infinitly reducible. We show in detail how to perform the gauge fixing and how to compute the anomalies using Pauli-Villars regularisation and the heat kernel method. Finally, we discuss the geometrical structure of the antifield formalism.

  18. Unified formalism for nonautonomous mechanical systems

    NASA Astrophysics Data System (ADS)

    Barbero-Liñán, María; Echeverría-Enríquez, Arturo; Diego, David Martín de; Muñoz-Lecanda, Miguel C.; Román-Roy, Narciso

    2008-06-01

    We present a unified geometric framework for describing both the Lagrangian and Hamiltonian formalisms of regular and nonregular time-dependent mechanical systems, which is based on the approach of Skinner and Rusk ["Generalized Hamiltonian dynamics I. Formulation on T*Q⊗TQ," J. Math. Phys. 24, 2589 (1983)]. The dynamical equations of motion and their compatibility and consistency are carefully studied, making clear that all the characteristics of the Lagrangian and the Hamiltonian formalisms are recovered in this formulation. As an example, a semidiscretization of the nonlinear wave equation is studied, proving the applicability of the proposed formalism.

  19. Habitat Suitability Index Models: Baird's sparrow

    USGS Publications Warehouse

    Sousa, Patrick J.; McDonal, W. Neil

    1983-01-01

    A review and synthesis of existing information were used to develop a habitat model for Baird's sparrow. The model is scaled to produce an index of suitability between 0 (unsuitable habitat) to 1 (optimally suitable habitat) for Baird's sparrow habitat in the Northern Great Plains. Habitat suitability indices are designed for use with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  20. Habitat Suitability Index Models: Downy woodpecker

    USGS Publications Warehouse

    Schroeder, Richard L.

    1983-01-01

    A review and synthesis of existing information was used to develop a habitat model for the downy woodpecker (Picoides eubescens). The model is scaled to produce an index of habitat suitability between 0 (unsuitable habitat) and 1 (optimally suitable habitat) for areas of the continental United States. Habitat suitability indexes are designed for use with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  1. Habitat Suitability Index Models: Pileated woodpecker

    USGS Publications Warehouse

    Schroeder, Richard L.

    1983-01-01

    A review and synthesis of existing information was used to develop a habitat model for the pileated woodpecker (Dryocopus pileatus). The model is scaled to produce an index of habitat suitability between 0 (unsuitable habitat) and 1 (optimally suitable habitat) for areas of the continental United States. Habitat suitability indexes are designed for use.with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  2. Habitat Suitability Index Models: Longnose dace

    USGS Publications Warehouse

    Edwards, Elizabeth A.; Li, Hiram; Schreck, Carl B.

    1983-01-01

    A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for longnose dace (Rhinichthys cataractae), a freshwater fish. The models are scaled to produce an index of habitat suitability between 0 (unsuitable habitat) to 1 (optimally suitable habitat) for freshwater, marine and estuarine areas of the continental United States. Habitat suitability indexes (HSI's) are designed for use with the habitat evaluation procedures developed by the U.S. Fish and Wildlife Service.

  3. Habitat Suitability Index Models: Common shiner

    USGS Publications Warehouse

    Trial, Joan G.; Wade, Charles S.; Stanley, Jon G.; Nelson, Patrick C.

    1983-01-01

    A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for common shiner (Notropis cornutus). The models are scaled to produce an index of habitat suitability between 0 (unsuitable habitat) to 1 (optimally suitable habitat) for the northeastern range of the common shiner in North America. Habitat suitability indexes (HSI's) are designed for use with the habitat evaluation procedures developed by the U.S. Fish and Wildlife Service. Also included are discussions of Suitability Index (SI) curves as used in the Instream Flow Incremental Methodology (IFIM) and SI curves available for an IFIM analysis of smallmouth bass habitat.

  4. Habitat Suitability Index Models: Yellow perch

    USGS Publications Warehouse

    Krieger, Douglas A.; Terrell, James W.; Nelson, Patrick C.

    1983-01-01

    A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for yellow perch (Perca flavescens). The models are scaled to produce an index of habitat suitability between 0 (unsuitable habitat) to 1 (optimally suitable habitat) for riverine, lacustrine, and palustrine habitat in the 48 contiguous United States. Habitat Suitability Indexes (HSI's) are designed for use with the Habitat Evaluation Procedures developed by the U.S. Fish and Wildlife Service. Also included are discussions of Suitability Index (SI) curves as used in the Instream Flow Incremental Methodology (IFIM) and SI curves available for an IFIM analysis of yellow perch habitat.

  5. Habitat Suitability Index Models: Bigmouth buffalo

    USGS Publications Warehouse

    Edwards, Elizabeth A.

    1983-01-01

    A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for Bigmouth buffalo (Ictiobus cyprinellus), a freshwater fish. The models are scaled to produce an indices of habitat suitability between 0 (unsuitable habitat) and 1 (optimally suitable habitat) for freshwater areas of the continental United States. Other habitat suitability models found in the literature are also included. Habitat suitability indices (HSI's) are designed for use with the habitat evaluation procedures developed by the U.S. Fish and Wildlife Service.

  6. Alligator, Alligator mississippiensis, habitat suitability index model

    USGS Publications Warehouse

    Waddle, Hardin

    2017-01-01

    The 2012 Coastal Master Plan utilized Habitat Suitability Indices (HSIs) to evaluate potential project effects on wildlife species. Even though HSIs quantify habitat condition, which may not directly correlate to species abundance, they remain a practical and tractable way to assess changes in habitat quality from various restoration actions. As part of the legislatively mandated five year update to the 2012 plan, the wildlife habitat suitability indices were updated and revised using literature and existing field data where available. The outcome of these efforts resulted in improved, or in some cases entirely new suitability indices. This report describes the development of the habitat suitability indices for the American alligator, Alligator mississippiensis.

  7. A non-commuting stabilizer formalism

    SciTech Connect

    Ni, Xiaotong; Van den Nest, Maarten; Buerschaper, Oliver

    2015-05-15

    We propose a non-commutative extension of the Pauli stabilizer formalism. The aim is to describe a class of many-body quantum states which is richer than the standard Pauli stabilizer states. In our framework, stabilizer operators are tensor products of single-qubit operators drawn from the group 〈αI, X, S〉, where α = e{sup iπ/4} and S = diag(1, i). We provide techniques to efficiently compute various properties related to bipartite entanglement, expectation values of local observables, preparation by means of quantum circuits, parent Hamiltonians, etc. We also highlight significant differences compared to the Pauli stabilizer formalism. In particular, we give examples of states in our formalism which cannot arise in the Pauli stabilizer formalism, such as topological models that support non-Abelian anyons.

  8. Transitions from Formal Education to the Workplace

    ERIC Educational Resources Information Center

    Olson, Joann S.

    2014-01-01

    This chapter frames the transition to adulthood in the context of the moving from formal educational settings to the often less-structured learning that occurs in workplace settings. Although schooling may end, learning continues.

  9. Formal specification of human-computer interfaces

    NASA Technical Reports Server (NTRS)

    Auernheimer, Brent

    1990-01-01

    A high-level formal specification of a human computer interface is described. Previous work is reviewed and the ASLAN specification language is described. Top-level specifications written in ASLAN for a library and a multiwindow interface are discussed.

  10. Importance of reversibility in the quantum formalism.

    PubMed

    David, François

    2011-10-28

    In this Letter I stress the role of causal reversibility (time symmetry), together with causality and locality, in the justification of the quantum formalism. First, in the algebraic quantum formalism, I show that the assumption of reversibility implies that the observables of a quantum theory form an abstract real C^{⋆} algebra, and can be represented as an algebra of operators on a real Hilbert space. Second, in the quantum logic formalism, I emphasize which axioms for the lattice of propositions (the existence of an orthocomplementation and the covering property) derive from reversibility. A new argument based on locality and Soler's theorem is used to derive the representation as projectors on a regular Hilbert space from the general quantum logic formalism. In both cases it is recalled that the restriction to complex algebras and Hilbert spaces comes from the constraints of locality and separability.

  11. General formalism for singly thermostated Hamiltonian dynamics.

    PubMed

    Ramshaw, John D

    2015-11-01

    A general formalism is developed for constructing modified Hamiltonian dynamical systems which preserve a canonical equilibrium distribution by adding a time evolution equation for a single additional thermostat variable. When such systems are ergodic, canonical ensemble averages can be computed as dynamical time averages over a single trajectory. Systems of this type were unknown until their recent discovery by Hoover and colleagues. The present formalism should facilitate the discovery, construction, and classification of other such systems by encompassing a wide class of them within a single unified framework. This formalism includes both canonical and generalized Hamiltonian systems in a state space of arbitrary dimensionality (either even or odd) and therefore encompasses both few- and many-particle systems. Particular attention is devoted to the physical motivation and interpretation of the formalism, which largely determine its structure. An analogy to stochastic thermostats and fluctuation-dissipation theorems is briefly discussed.

  12. The Intersituational Generality of Formal Thought

    ERIC Educational Resources Information Center

    Stone, Mary Ann; Ausubel, David P.

    1969-01-01

    Shows that, contrary to Piagetian Theory, formal thought in a variety of subject matters is not possible until sufficient requisite concrete background experience in each content area involved has been attained. (MH)

  13. Importance of Reversibility in the Quantum Formalism

    NASA Astrophysics Data System (ADS)

    David, François

    2011-10-01

    In this Letter I stress the role of causal reversibility (time symmetry), together with causality and locality, in the justification of the quantum formalism. First, in the algebraic quantum formalism, I show that the assumption of reversibility implies that the observables of a quantum theory form an abstract real C⋆ algebra, and can be represented as an algebra of operators on a real Hilbert space. Second, in the quantum logic formalism, I emphasize which axioms for the lattice of propositions (the existence of an orthocomplementation and the covering property) derive from reversibility. A new argument based on locality and Soler’s theorem is used to derive the representation as projectors on a regular Hilbert space from the general quantum logic formalism. In both cases it is recalled that the restriction to complex algebras and Hilbert spaces comes from the constraints of locality and separability.

  14. The adolescent personality, formal reasoning, and values.

    PubMed

    Darmody, J P

    1991-01-01

    This study examined the relationship between levels of Piagetian formal reasoning ability and values preferences derived from the Rokeach Value Survey. The subjects were 448 secondary school students (mean age = 16.25 years). The results of the study were consistent with predictions about the likely changes in value rankings as formal reasoning ability develops. Subjects with high scores on formal reasoning ranked terminal values representing abstract notions with long-term implications higher than those focusing on immediate gratification. They also favored the instrumental values of self-reliance, competence, and independence. Low scorers on formal reasoning showed a preference for value groupings which were personal, hedonistic, and involved immediate gratification and social approval.

  15. Why Engineers Should Consider Formal Methods

    NASA Technical Reports Server (NTRS)

    Holloway, C. Michael

    1997-01-01

    This paper presents a logical analysis of a typical argument favoring the use of formal methods for software development, and suggests an alternative argument that is simpler and stronger than the typical one.

  16. Experiences Using Formal Methods for Requirements Modeling

    NASA Technical Reports Server (NTRS)

    Easterbrook, Steve; Lutz, Robyn; Covington, Rick; Kelly, John; Ampo, Yoko; Hamilton, David

    1996-01-01

    This paper describes three cases studies in the lightweight application of formal methods to requirements modeling for spacecraft fault protection systems. The case studies differ from previously reported applications of formal methods in that formal methods were applied very early in the requirements engineering process, to validate the evolving requirements. The results were fed back into the projects, to improve the informal specifications. For each case study, we describe what methods were applied, how they were applied, how much effort was involved, and what the findings were. In all three cases, the formal modeling provided a cost effective enhancement of the existing verification and validation processes. We conclude that the benefits gained from early modeling of unstable requirements more than outweigh the effort needed to maintain multiple representations.

  17. Geodermatophilaceae fam. nov., a formal description.

    PubMed

    Normand, Philippe

    2006-10-01

    The family name 'Geodermatophilaceae' was first published by Normand et al. (1996) to contain the genera Geodermatophilus and Blastococcus, but a formal description and the designation of the type genus were not included, thus making the name invalid. Since then, the genus Modestobacter has been described as a member of the family 'Geodermatophilaceae' by Mevs et al. (2000). We hereby formally describe the family 'Geodermatophilaceae' which includes the recently described genus Modestobacter. The type genus of the family is Geodermatophilus.

  18. Design for validation, based on formal methods

    NASA Technical Reports Server (NTRS)

    Butler, Ricky W.

    1990-01-01

    Validation of ultra-reliable systems decomposes into two subproblems: (1) quantification of probability of system failure due to physical failure; (2) establishing that Design Errors are not present. Methods of design, testing, and analysis of ultra-reliable software are discussed. It is concluded that a design-for-validation based on formal methods is needed for the digital flight control systems problem, and also that formal methods will play a major role in the development of future high reliability digital systems.

  19. (abstract) Formal Inspection Technology Transfer Program

    NASA Technical Reports Server (NTRS)

    Welz, Linda A.; Kelly, John C.

    1993-01-01

    A Formal Inspection Technology Transfer Program, based on the inspection process developed by Michael Fagan at IBM, has been developed at JPL. The goal of this program is to support organizations wishing to use Formal Inspections to improve the quality of software and system level engineering products. The Technology Transfer Program provides start-up materials and assistance to help organizations establish their own Formal Inspection program. The course materials and certified instructors associated with the Technology Transfer Program have proven to be effective in classes taught at other NASA centers as well as at JPL. Formal Inspections (NASA tailored Fagan Inspections) are a set of technical reviews whose objective is to increase quality and reduce the cost of software development by detecting and correcting errors early. A primary feature of inspections is the removal of engineering errors before they amplify into larger and more costly problems downstream in the development process. Note that the word 'inspection' is used differently in software than in a manufacturing context. A Formal Inspection is a front-end quality enhancement technique, rather than a task conducted just prior to product shipment for the purpose of sorting defective systems (manufacturing usage). Formal Inspections are supporting and in agreement with the 'total quality' approach being adopted by many NASA centers.

  20. Formal verification of an avionics microprocessor

    NASA Technical Reports Server (NTRS)

    Srivas, Mandayam, K.; Miller, Steven P.

    1995-01-01

    Formal specification combined with mechanical verification is a promising approach for achieving the extremely high levels of assurance required of safety-critical digital systems. However, many questions remain regarding their use in practice: Can these techniques scale up to industrial systems, where are they likely to be useful, and how should industry go about incorporating them into practice? This report discusses a project undertaken to answer some of these questions, the formal verification of the AAMPS microprocessor. This project consisted of formally specifying in the PVS language a rockwell proprietary microprocessor at both the instruction-set and register-transfer levels and using the PVS theorem prover to show that the microcode correctly implemented the instruction-level specification for a representative subset of instructions. Notable aspects of this project include the use of a formal specification language by practicing hardware and software engineers, the integration of traditional inspections with formal specifications, and the use of a mechanical theorem prover to verify a portion of a commercial, pipelined microprocessor that was not explicitly designed for formal verification.

  1. Formality of the Chinese collective leadership.

    PubMed

    Li, Haiying; Graesser, Arthur C

    2016-09-01

    We investigated the linguistic patterns in the discourse of four generations of the collective leadership of the Communist Party of China (CPC) from 1921 to 2012. The texts of Mao Zedong, Deng Xiaoping, Jiang Zemin, and Hu Jintao were analyzed using computational linguistic techniques (a Chinese formality score) to explore the persuasive linguistic features of the leaders in the contexts of power phase, the nation's education level, power duration, and age. The study was guided by the elaboration likelihood model of persuasion, which includes a central route (represented by formal discourse) versus a peripheral route (represented by informal discourse) to persuasion. The results revealed that these leaders adopted the formal, central route more when they were in power than before they came into power. The nation's education level was a significant factor in the leaders' adoption of the persuasion strategy. The leaders' formality also decreased with their increasing age and in-power times. However, the predictability of these factors for formality had subtle differences among the different types of leaders. These results enhance our understanding of the Chinese collective leadership and the role of formality in politically persuasive messages.

  2. Prospective comparison of curbside versus formal consultations.

    PubMed

    Burden, Marisha; Sarcone, Ellen; Keniston, Angela; Statland, Barbara; Taub, Julie A; Allyn, Rebecca L; Reid, Mark B; Cervantes, Lilia; Frank, Maria G; Scaletta, Nicholas; Fung, Philip; Chadaga, Smitha R; Mastalerz, Katarzyna; Maller, Nancy; Mascolo, Margherita; Zoucha, Jeff; Campbell, Jessica; Maher, Mary P; Stella, Sarah A; Albert, Richard K

    2013-01-01

    Curbside consultations are commonly requested during the care of hospitalized patients, but physicians perceive that the recommendations provided may be based on inaccurate or incomplete information. To compare the accuracy and completeness of the information received from providers requesting a curbside consultation of hospitalists with that obtained in a formal consultation on the same patients, and to examine whether the recommendations offered in the 2 consultations differed. Prospective cohort. University-affiliated, urban safety net hospital. Proportion of curbside consultations with inaccurate or incomplete information; frequency with which recommendations in the formal consultation differed from those in the curbside consultation. Curbside consultations were requested for 50 patients, 47 of which were also evaluated in a formal consultation performed on the same day by a hospitalist other than the one performing the curbside consultation. Based on information collected in the formal consultation, information was either inaccurate or incomplete in 24/47 (51%) of the curbside consultations. Management advice after formal consultation differed from that given in the curbside consultation for 28/47 patients (60%). When inaccurate or incomplete information was received, the advice provided in the formal versus the curbside consultation differed in 22/24 patients (92%, P < 0.0001). Information presented during inpatient curbside consultations of hospitalists is often inaccurate or incomplete, and this often results in inaccurate management advice. Copyright © 2012 Society of Hospital Medicine.

  3. 45 CFR 12a.6 - Suitability criteria.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 1 2012-10-01 2012-10-01 false Suitability criteria. 12a.6 Section 12a.6 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION USE OF FEDERAL REAL PROPERTY TO ASSIST THE HOMELESS § 12a.6 Suitability criteria. (a) All properties, buildings and land will...

  4. 45 CFR 12a.6 - Suitability criteria.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 1 2010-10-01 2010-10-01 false Suitability criteria. 12a.6 Section 12a.6 Public Welfare DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL ADMINISTRATION USE OF FEDERAL REAL PROPERTY TO ASSIST THE HOMELESS § 12a.6 Suitability criteria. (a) All properties, buildings and land will...

  5. Habitat Suitability Index Models: Rainbow trout

    USGS Publications Warehouse

    Raleigh, Robert F.; Hickman, Terry; Solomon, R. Charles; Nelson, Patrick C.

    1984-01-01

    A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for rainbow trout (Salmo gairdneri), a freshwater species. The models are scaled to produce an index of habitat suitability between 0 (unsuitable habitat) to 1 (optimally suitable habitat) for freshwater areas of the continental United States. Other habitat suitability models found in the literature are also included. Habitat suitability indexes (HSI's) are designed for use with the habitat evaluation procedures developed by the U.S. Fish and Wildlife Service. Also included are discussions of Suitability Index (SI) curves as used in the Instream Flow Incremental Methodology (IFIM) and SI curves available for an IFIM analysis of Fallfish habitat.

  6. Habitat Suitability Index Models: Smallmouth bass

    USGS Publications Warehouse

    Edwards, Elizabeth A.; Gebhart, Glen; Maughan, O. Eugene

    1983-01-01

    A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for Smallmouth bass (Micropterus dolomieui), a freshwater species. The models are scaled to produce an index of habitat suitability between 0 (unsuitable habitat) and 1 (optimally suitable habitat) for freshwater areas of the continental United States. Habitat suitability indexes (HSI's) are designed for use with the habitat evaluation procedures developed by the U.S. Fish and Wildlife Service. The instream flow suitability curves are intended for use with the Instream Flow Incremental Methodology. Also included are discussions of Suitability Index (SI) curves as used by the Instream Flow Incremental Methodology (IFIM) and SI curves available for an IFIM analysis of Smallmouth bass habitat.

  7. Assessing Non-Technical Site Suitability Criteria for Stormwater Capture, Treatment and Recharge

    NASA Astrophysics Data System (ADS)

    Eisenstein, W.

    2016-12-01

    This presentation will describe a new method for assessing non-technical site suitability criteria for the siting of stormwater capture, treatment and recharge (or stormwater CTR) facilities in Sonoma County, California, USA. "Non-technical site suitability criteria" include issues such as community acceptance, aesthetics, nuisances and hazards, and compatibility with neighboring land uses, and are distinguished from "technical criteria" such as hydrology and soil characteristics that are the traditional subject of suitability analyses. Non-technical criteria are rarely, if ever, considered in formal siting suitability studies conducted by agencies and municipalities, yet can be fatal to the prospects of a given project's construction if not identified and mitigated. The researchers developed a new method for identifying and spatially characterizing relevant non-technical criteria through interviews and questionnaires with community stakeholders, and introducing those criteria into a spatial multi-criteria decision analysis framework that assesses site suitabilty across a study watershed (the Upper Petaluma River watershed in Sonoma County).

  8. Formal Methods for Verification and Validation of Partial Specifications: A Case Study

    NASA Technical Reports Server (NTRS)

    Easterbrook, Steve; Callahan, John

    1997-01-01

    This paper describes our work exploring the suitability of formal specification methods for independent verification and validation (IV&V) of software specifications for large, safety critical systems. An IV&V contractor often has to perform rapid analysis on incomplete specifications, with no control over how those specifications are represented. Lightweight formal methods show significant promise in this context, as they offer a way of uncovering major errors, without the burden of full proofs of correctness. We describe a case study of the use of partial formal models for V&V of the requirements for Fault Detection Isolation and Recovery on the space station. We conclude that the insights gained from formalizing a specification are valuable, and it is the process of formalization, rather than the end product that is important. It was only necessary to build enough of the formal model to test the properties in which we were interested. Maintenance of fidelity between multiple representations of the same requirements (as they evolve) is still a problem, and deserves further study.

  9. Synthesis of heterocycles by formal cycloadditions of isocyanides.

    PubMed

    Kruithof, Art; Ruijter, Eelco; Orru, Romano V A

    2015-03-01

    Synthetic methodology for the synthesis of heterocycles is of continuous and high interest with applications in materials, catalysis, and medicines. Multicomponent reactions are suitable tools to efficiently generate chemically diverse sets of heterocycles with sufficient structural complexity. Especially isocyanides have proven to be particularly versatile building blocks in these one-pot processes. Due to their electronic structure, isocyanides are able to act sequentially or simultaneously as a nucleophile and an electrophile. Traditionally, isocyanides are therefore frequently used in multicomponent chemistry. In the recent literature, numerous reactions have been reported that involve formal cycloadditions of isocyanides with conjugated heterodienes. This Focus Review aims at mapping this reactivity and at providing insight into the relationship between the various reported reaction partners and the observed reactivity modes.

  10. On a Broken Formal Symmetry between Kinetic and Gravitational Energy

    NASA Astrophysics Data System (ADS)

    Nikkhah Shirazi, Armin

    2011-03-01

    Historically, the discovery of symmetries has played an important role in the progress of our fundamental understanding of nature. This paper will demonstrate that there exists in Newtonian theory in a spherical gravitational field a formal symmetry between the kinetic (KE) and gravitational potential energy (GPE) of a test mass. Put differently, there exists a way of expressing GPE such that the form of the mathematical expression remains invariant under an interchange of KE and GPE. When extended to relativity by a suitable assumption, it leads to a framework that bridges the general relativistic and Newtonian conceptions of gravitational energy, even though the symmetry is broken except in the infinitesimal limit. Recognizing this symmetry at infinitesimal scales makes it possible to write a relativistic equation of an individual graviton, the properties of which under under one interpretation may be unexpected.

  11. A Formal Model of Partitioning for Integrated Modular Avionics

    NASA Technical Reports Server (NTRS)

    DiVito, Ben L.

    1998-01-01

    The aviation industry is gradually moving toward the use of integrated modular avionics (IMA) for civilian transport aircraft. An important concern for IMA is ensuring that applications are safely partitioned so they cannot interfere with one another. We have investigated the problem of ensuring safe partitioning and logical non-interference among separate applications running on a shared Avionics Computer Resource (ACR). This research was performed in the context of ongoing standardization efforts, in particular, the work of RTCA committee SC-182, and the recently completed ARINC 653 application executive (APEX) interface standard. We have developed a formal model of partitioning suitable for evaluating the design of an ACR. The model draws from the mathematical modeling techniques developed by the computer security community. This report presents a formulation of partitioning requirements expressed first using conventional mathematical notation, then formalized using the language of SRI'S Prototype Verification System (PVS). The approach is demonstrated on three candidate designs, each an abstraction of features found in real systems.

  12. a Unified Formalism of Thermal Quantum Field Theory

    NASA Astrophysics Data System (ADS)

    Chu, H.; Umezawa, H.

    We present a comprehensive review of the most fundamental and practical aspects of thermo-field dynamics (TFD), including some of the most recent developments in the field. To make TFD fully consistent, some suitable changes in the structure of the thermal doublets and the Bogoliubov transformation matrices have been made. A close comparison between TFD and the Schwinger-Keldysh closed time path formalism (SKF) is presented. We find that TFD and SKF are in many ways the same in form; in particular, the two approaches are identical in stationary situations. However, TFD and SKF are quite different in time-dependent nonequilibrium situations. The main source of this difference is that the time evolution of the density matrix itself is ignored in SKF while in TFD it is replaced by a time-dependent Bogoliubov transformation. In this sense TFD is a better candidate for time-dependent quantum field theory. Even in equilibrium situations, TFD has some remarkable advantages over the Matsubara approach and SKF, the most notable being the Feynman diagram recipes, which we will present. We will show that the calculations of two-point functions are simplified, instead of being complicated, by the matrix nature of the formalism. We will present some explicit calculations using TFD, including space-time inhomogeneous situations and the vacuum polarization in equilibrium relativistic QED.

  13. Formal Methods Case Studies for DO-333

    NASA Technical Reports Server (NTRS)

    Cofer, Darren; Miller, Steven P.

    2014-01-01

    RTCA DO-333, Formal Methods Supplement to DO-178C and DO-278A provides guidance for software developers wishing to use formal methods in the certification of airborne systems and air traffic management systems. The supplement identifies the modifications and additions to DO-178C and DO-278A objectives, activities, and software life cycle data that should be addressed when formal methods are used as part of the software development process. This report presents three case studies describing the use of different classes of formal methods to satisfy certification objectives for a common avionics example - a dual-channel Flight Guidance System. The three case studies illustrate the use of theorem proving, model checking, and abstract interpretation. The material presented is not intended to represent a complete certification effort. Rather, the purpose is to illustrate how formal methods can be used in a realistic avionics software development project, with a focus on the evidence produced that could be used to satisfy the verification objectives found in Section 6 of DO-178C.

  14. Baxter Operator Formalism for Macdonald Polynomials

    NASA Astrophysics Data System (ADS)

    Gerasimov, Anton; Lebedev, Dimitri; Oblezin, Sergey

    2013-11-01

    We develop basic constructions of the Baxter operator formalism for the Macdonald polynomials associated with root systems of type A. Precisely, we construct a bispectral pair of mutually commuting Baxter operators such that the Macdonald polynomials are their common eigenfunctions. The bispectral pair of Baxter operators is closely related to the bispectral pair of recursive operators for Macdonald polynomials leading to various families of their integral representations. We also construct the Baxter operator formalism for the q-deformed {{gl}_{ell+1}} -Whittaker functions and the Jack polynomials obtained by degenerations of the Macdonald polynomials associated with the type A ℓ root system. This note provides a generalization of our previous results on the Baxter operator formalism for the Whittaker functions. It was demonstrated previously that Baxter operator formalism for the Whittaker functions has deep connections with representation theory. In particular, the Baxter operators should be considered as elements of appropriate spherical Hecke algebras and their eigenvalues are identified with local Archimedean L-factors associated with admissible representations of reductive groups over {{R}}. We expect that the Baxter operator formalism for the Macdonald polynomials has an interpretation in representation theory over higher-dimensional local/global fields.

  15. Link-space formalism for network analysis.

    PubMed

    Smith, David M D; Lee, Chiu Fan; Onnela, Jukka-Pekka; Johnson, Neil F

    2008-03-01

    We introduce the link-space formalism for analyzing network models with degree-degree correlations. The formalism is based on a statistical description of the fraction of links l(i,j) connecting nodes of degrees i and j. To demonstrate its use, we apply the framework to some pedagogical network models, namely, random attachment, Barabási-Albert preferential attachment, and the classical Erdos and Rényi random graph. For these three models the link-space matrix can be solved analytically. We apply the formalism to a simple one-parameter growing network model whose numerical solution exemplifies the effect of degree-degree correlations for the resulting degree distribution. We also employ the formalism to derive the degree distributions of two very simple network decay models, more specifically, that of random link deletion and random node deletion. The formalism allows detailed analysis of the correlations within networks and we also employ it to derive the form of a perfectly nonassortative network for arbitrary degree distribution.

  16. Habitat Suitability Index Models: Laughing gull

    USGS Publications Warehouse

    Zale, Alexander V.; Mulholland, Rosemarie

    1985-01-01

    A review and synthesis of existing information were used to develop a habitat model for laughing gull (Larus atricilla). The model is scaled to produce an index of habitat suitability between 0 (unsuitable habitat) and 1.0 (optimally suitable habitat) for areas along the Gulf of Mexico coast. Habitat suitability indices are designed for use with the Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service. Guidelines for application of the model and techniques for measuring model variables are described.

  17. Formalizing Darwinism and inclusive fitness theory.

    PubMed

    Grafen, Alan

    2009-11-12

    Inclusive fitness maximization is a basic building block for biological contributions to any theory of the evolution of society. There is a view in mathematical population genetics that nothing is caused to be maximized in the process of natural selection, but this is explained as arising from a misunderstanding about the meaning of fitness maximization. Current theoretical work on inclusive fitness is discussed, with emphasis on the author's 'formal Darwinism project'. Generally, favourable conclusions are drawn about the validity of assuming fitness maximization, but the need for continuing work is emphasized, along with the possibility that substantive exceptions may be uncovered. The formal Darwinism project aims more ambitiously to represent in a formal mathematical framework the central point of Darwin's Origin of Species, that the mechanical processes of inheritance and reproduction can give rise to the appearance of design, and it is a fitting ambition in Darwin's bicentenary year to capture his most profound discovery in the lingua franca of science.

  18. Towards Formal Verification of a Separation Microkernel

    NASA Astrophysics Data System (ADS)

    Butterfield, Andrew; Sanan, David; Hinchey, Mike

    2013-08-01

    The best approach to verifying an IMA separation kernel is to use a (fixed) time-space partitioning kernel with a multiple independent levels of separation (MILS) architecture. We describe an activity that explores the cost and feasibility of doing a formal verification of such a kernel to the Common Criteria (CC) levels mandated by the Separation Kernel Protection Profile (SKPP). We are developing a Reference Specification of such a kernel, and are using higher-order logic (HOL) to construct formal models of this specification and key separation properties. We then plan to do a dry run of part of a formal proof of those properties using the Isabelle/HOL theorem prover.

  19. 7 CFR 1955.63 - Suitability determination.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ..., discretion and sound judgment must be used in determining suitability. The majority of houses RHS acquires... create excessive energy and/or maintenance costs to very-low and low-income borrowers. (4) A dwelling...

  20. 7 CFR 1955.63 - Suitability determination.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ..., discretion and sound judgment must be used in determining suitability. The majority of houses RHS acquires... create excessive energy and/or maintenance costs to very-low and low-income borrowers. (4) A dwelling...

  1. 7 CFR 1955.63 - Suitability determination.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ..., discretion and sound judgment must be used in determining suitability. The majority of houses RHS acquires... create excessive energy and/or maintenance costs to very-low and low-income borrowers. (4) A dwelling...

  2. Habitat suitability index models: Black crappie

    USGS Publications Warehouse

    Edwards, Elizabeth A.; Krieger, Douglas A.; Bacteller, Mary; Maughan, O. Eugene

    1982-01-01

    Characteristics and habitat requirements of the black crappie (Pomoxis nigromaculatus) are described in a review of Habitat Suitability Index models. This is one in a series of publications to provide information on the habitat requirements of selected fish and wildlife species. Numerous literature sources have been consulted in an effort to consolidate scientific data on species-habitat relationships. These data have subsequently been synthesized into explicit Habitat Suitability Index (HSI) models. The models are based on suitability indices indicating habitat preferences. Indices have been formulated for variables found to affect the life cycle and survival of each species. Habitat Suitability Index (HSI) models are designed to provide information for use in impact assessment and habitat management activities. The HSI technique is a corollary to the U.S. Fish and Wildlife Service's Habitat Evaluation Procedures.

  3. User Interface Technology for Formal Specification Development

    NASA Technical Reports Server (NTRS)

    Lowry, Michael; Philpot, Andrew; Pressburger, Thomas; Underwood, Ian; Lum, Henry, Jr. (Technical Monitor)

    1994-01-01

    Formal specification development and modification are an essential component of the knowledge-based software life cycle. User interface technology is needed to empower end-users to create their own formal specifications. This paper describes the advanced user interface for AMPHION1 a knowledge-based software engineering system that targets scientific subroutine libraries. AMPHION is a generic, domain-independent architecture that is specialized to an application domain through a declarative domain theory. Formal specification development and reuse is made accessible to end-users through an intuitive graphical interface that provides semantic guidance in creating diagrams denoting formal specifications in an application domain. The diagrams also serve to document the specifications. Automatic deductive program synthesis ensures that end-user specifications are correctly implemented. The tables that drive AMPHION's user interface are automatically compiled from a domain theory; portions of the interface can be customized by the end-user. The user interface facilitates formal specification development by hiding syntactic details, such as logical notation. It also turns some of the barriers for end-user specification development associated with strongly typed formal languages into active sources of guidance, without restricting advanced users. The interface is especially suited for specification modification. AMPHION has been applied to the domain of solar system kinematics through the development of a declarative domain theory. Testing over six months with planetary scientists indicates that AMPHION's interactive specification acquisition paradigm enables users to develop, modify, and reuse specifications at least an order of magnitude more rapidly than manual program development.

  4. The Comparative Functionality of Formal and Non-Formal Education for Women: Final Report.

    ERIC Educational Resources Information Center

    Derryck, Vivian Lowery

    This final report describes a five-phase study to ascertain whether formal or non-formal education has the greater functionality to accelerate women's integration into development activities. Part 1 (two chapters), introduction and background, defines the problem, sets parameters of the study, and provides definitions of education terms. Part 2…

  5. Working life and stress symptoms among caregivers in elderly care with formal and no formal competence.

    PubMed

    Engström, Maria; Skytt, Bernice; Nilsson, Annika

    2011-09-01

    The aim of the present study was to describe and compare caregivers with formal and no formal competence on job satisfaction, psychosomatic health, structural and psychological empowerment and perceptions of care quality. A further aim was to study relationships among study variables. A convenience sample of 572 caregivers in elderly care participated. Caregivers with no formal competence perceived higher workload, more communication obstacles, less competence, poorer sleep and more stress symptoms than did their colleagues. Linear regression analyses revealed that the factor self-determination was an explanatory variable of stress levels among caregivers with no formal competence, and self-determination and impact among caregivers with formal competence. Linear regression analysis revealed that different dimensions in structural and psychological empowerment explained the variance in staff job satisfaction, perceived stress symptoms and quality of care. No formal competence seems to be a risk factor for psychosomatic health problems. Managers need to have a strategic plan for how to create a working environment for caregivers with no formal competence. Caregivers' self-determination seems to be important for stress symptoms. Meaning, self-determination, impact and opportunities appear to be important for job satisfaction and competence, opportunities, resources and formal power for quality of care. 2011 Blackwell Publishing Ltd.

  6. Combining Formal, Non-Formal and Informal Learning for Workforce Skill Development

    ERIC Educational Resources Information Center

    Misko, Josie

    2008-01-01

    This literature review, undertaken for Australian Industry Group, shows how multiple variations and combinations of formal, informal and non-formal learning, accompanied by various government incentives and organisational initiatives (including job redesign, cross-skilling, multi-skilling, diversified career pathways, action learning projects,…

  7. MOOC & B-Learning: Students' Barriers and Satisfaction in Formal and Non-Formal Learning Environments

    ERIC Educational Resources Information Center

    Gutiérrez-Santiuste, Elba; Gámiz-Sánchez, Vanesa-M.; Gutiérrez-Pérez, Jose

    2015-01-01

    The study presents a comparative analysis of two virtual learning formats: one non-formal through a Massive Open Online Course (MOOC) and the other formal through b-learning. We compare the communication barriers and the satisfaction perceived by the students (N = 249) by developing a qualitative analysis using semi-structured questionnaires and…

  8. Digital Resource Developments for Mathematics Education Involving Homework across Formal, Non-Formal and Informal Settings

    ERIC Educational Resources Information Center

    Radovic, Slaviša; Passey, Don

    2016-01-01

    The aim of this paper is to explore further an under-developed area--how drivers of curriculum, pedagogy and assessment conceptions and practices shape the creation and uses of technologically based resources to support mathematics learning across informal, non-formal and formal learning environments. The paper considers: the importance of…

  9. Enhancing the Intercultural Effectiveness of Exchange Programmes: Formal and Non-Formal Educational Interventions

    ERIC Educational Resources Information Center

    Almeida, Joana; Fantini, Alvino E.; Simões, Ana Raquel; Costa, Nilza

    2016-01-01

    This paper examines how the addition of intercultural interventions carried out throughout European credit-bearing exchange programmes can enhance sojourners' development of intercultural competencies, and it explores how both formal and non-formal pedagogical interventions may be designed and implemented. Such interventions were conducted at a…

  10. Digital Resource Developments for Mathematics Education Involving Homework across Formal, Non-Formal and Informal Settings

    ERIC Educational Resources Information Center

    Radovic, Slaviša; Passey, Don

    2016-01-01

    The aim of this paper is to explore further an under-developed area--how drivers of curriculum, pedagogy and assessment conceptions and practices shape the creation and uses of technologically based resources to support mathematics learning across informal, non-formal and formal learning environments. The paper considers: the importance of…

  11. Enhancing the Intercultural Effectiveness of Exchange Programmes: Formal and Non-Formal Educational Interventions

    ERIC Educational Resources Information Center

    Almeida, Joana; Fantini, Alvino E.; Simões, Ana Raquel; Costa, Nilza

    2016-01-01

    This paper examines how the addition of intercultural interventions carried out throughout European credit-bearing exchange programmes can enhance sojourners' development of intercultural competencies, and it explores how both formal and non-formal pedagogical interventions may be designed and implemented. Such interventions were conducted at a…

  12. Formal and Non-Formal Digital Practices: Institutionalizing Transactional Learning Spaces in a Media Classroom

    ERIC Educational Resources Information Center

    de Lange, Thomas

    2011-01-01

    This article examines how a classroom procedure known as PGE (Plan/Go-through/Evaluate) group work aims at integrating formal and non-formal media experiences and practices into classroom-based media learning. The study displays, on the one hand, how PGE group work emerged and was institutionally embedded in a media course. On the other hand, the…

  13. About the Identity of Informational Geography for Formal, Non-Formal, and Informal Educational Purposes.

    ERIC Educational Resources Information Center

    Verduin-Muller, Henriette

    In a shrinking world where there is limited space, materials, and capital for men's basic needs, it is important to make well considered use of the physical and human geographical setting. To obtain from the geographical setting the information needed to attain adequate decision making, empirical research is needed, and through formal, non-formal,…

  14. A Microcomputer-Assisted Presentation of Atomic Orbitals.

    ERIC Educational Resources Information Center

    Petrich, James A.

    1981-01-01

    A program written for the Apple II microcomputer that plots the "one-S" orbital of an atom is described. The material is used to move from the Bohr model of the atom to the quantum mechanical description. (MP)

  15. Embedding for bulk systems using localized atomic orbitals

    NASA Astrophysics Data System (ADS)

    Libisch, F.; Marsman, M.; Burgdörfer, J.; Kresse, G.

    2017-07-01

    We extend projection-based embedding techniques to bulk systems to treat point defects in semiconductors and insulators. To avoid non-additive kinetic energy contributions, we construct the density partition using orthogonal subsets of orbitals. We have implemented our approach in the popular Vienna ab initio simulation package software package. We demonstrate its power for defect structures in silicon and polaron formation in titania, two challenging cases for conventional Kohn-Sham density functional theory.

  16. A Microcomputer-Assisted Presentation of Atomic Orbitals.

    ERIC Educational Resources Information Center

    Petrich, James A.

    1981-01-01

    A program written for the Apple II microcomputer that plots the "one-S" orbital of an atom is described. The material is used to move from the Bohr model of the atom to the quantum mechanical description. (MP)

  17. Keldysh formalism for multiple parallel worlds

    SciTech Connect

    Ansari, M.; Nazarov, Y. V.

    2016-03-15

    We present a compact and self-contained review of the recently developed Keldysh formalism for multiple parallel worlds. The formalism has been applied to consistent quantum evaluation of the flows of informational quantities, in particular, to the evaluation of Renyi and Shannon entropy flows. We start with the formulation of the standard and extended Keldysh techniques in a single world in a form convenient for our presentation. We explain the use of Keldysh contours encompassing multiple parallel worlds. In the end, we briefly summarize the concrete results obtained with the method.

  18. Raman Tensor Formalism for Optically Anisotropic Crystals.

    PubMed

    Kranert, Christian; Sturm, Chris; Schmidt-Grund, Rüdiger; Grundmann, Marius

    2016-03-25

    We present a formalism for calculating the Raman scattering intensity dependent on the polarization configuration for optically anisotropic crystals. It can be applied to crystals of arbitrary orientation and crystal symmetry measured in normal incidence backscattering geometry. The classical Raman tensor formalism cannot be used for optically anisotropic materials due to birefringence causing the polarization within the crystal to be depth dependent. We show that in the limit of averaging over a sufficiently large scattering depth, the observed Raman intensities converge and can be described by an effective Raman tensor given here. Full agreement with experimental results for uniaxial and biaxial crystals is demonstrated.

  19. Extending the ADM formalism to Weyl geometry

    SciTech Connect

    Barreto, A. B.; Almeida, T. S.; Romero, C.

    2015-03-26

    In order to treat quantum cosmology in the framework of Weyl spacetimes we take the first step of extending the Arnowitt-Deser-Misner formalism to Weyl geometry. We then obtain an expression of the curvature tensor in terms of spatial quantities by splitting spacetime in (3+l)-dimensional form. We next write the Lagrangian of the gravitation field based in Weyl-type gravity theory. We extend the general relativistic formalism in such a way that it can be applied to investigate the quantum cosmology of models whose spacetimes are endowed with a Weyl geometrical structure.

  20. A formalization of the flutter shutter

    NASA Astrophysics Data System (ADS)

    Tendero, Yohann; Rougé, Bernard; Morel, Jean-Michel

    2012-09-01

    Acquiring good quality images of moving objects by a digital camera remains a valid question. If the velocity of the photographed object is not known, it is virtually impossible to tune an optimal exposure time. For this reason the recent Agrawal et al. flutter shutter apparatus has generated much interest. In this communication, we propose a mathematical formalization of a general flutter shutter method, also permitting non-binary shutter sequences. Thanks to this formalization, the question of the optimal flutter shutter code can be defined and solved. The method gives analytic formulas for the best attainable SNR for the restored image. It also gives a way to compute optimal flutter shutter codes.

  1. Differential matrix formalism for depolarizing anisotropic media.

    PubMed

    Ossikovski, Razvigor

    2011-06-15

    Azzam's differential matrix formalism [J. Opt. Soc. Am. 68, 1756 (1978)], originally developed for longitudinally inhomogeneous anisotropic nondepolarizing media, is extended to include depolarizing media. The generalization is physically interpreted in terms of means and uncertainties of the elementary optical properties of the medium, as well as of three anisotropy absorption parameters introduced to describe the depolarization. The formalism results in a particularly simple mathematical procedure for the retrieval of the elementary properties of a generally depolarizing anisotropic medium, assumed to be globally homogeneous, from its experimental Mueller matrix. The approach is illustrated on literature data and the conditions of its validity are identified and discussed.

  2. Geometric formalism for DNA quadruplex folding.

    PubMed

    Webba da Silva, Mateus

    2007-01-01

    Understanding the control of self-assembly and stereochemical properties of DNA higher order architectural folds is of fundamental importance in biology as well as biochemical technological applications. Guanine-rich DNA sequences can form tetrahelical architectures termed quadruplexes. A formalism is presented describing the interdependency of a set of structural descriptors as a geometric basis for folding of unimolecular quadruplex topologies. It represents a standard for interpretation of structural characteristics of quadruplexes, and is comprehensive in explicitly harmonizing the results of published literature with a unified language. The formalism is a fundamental step towards prediction of unimolecular quadruplex folding topologies from primary sequence.

  3. Educación no formal

    NASA Astrophysics Data System (ADS)

    Tignanelli, H.

    Se comentan en esta comunicación, las principales contribuciones realizadas en el campo de la educación en astronomía en los niveles primario, secundario y terciario, como punto de partida para la discusión de la actual inserción de los contenidos astronómicos en los nuevos contenidos curriculares de la EGB - Educación General Básica- y Polimodal, de la Reforma Educativa. En particular, se discuten los alcances de la educación formal y no formal, su importancia para la capacitación de profesores y maestros, y perspectivas a futuro.

  4. Relating transverse-momentum-dependent and collinear factorization theorems in a generalized formalism

    NASA Astrophysics Data System (ADS)

    Collins, J.; Gamberg, L.; Prokudin, A.; Rogers, T. C.; Sato, N.; Wang, B.

    2016-08-01

    We construct an improved implementation for combining transverse-momentum-dependent (TMD) factorization and collinear factorization. TMD factorization is suitable for low transverse momentum physics, while collinear factorization is suitable for high transverse momenta and for a cross section integrated over transverse momentum. The result is a modified version of the standard W +Y prescription traditionally used in the Collins-Soper-Sterman (CSS) formalism and related approaches. We further argue that questions regarding the shape and Q dependence of the cross sections at lower Q are largely governed by the matching to the Y term.

  5. Interpreter composition issues in the formal verification of a processor-memory module

    NASA Technical Reports Server (NTRS)

    Fura, David A.; Cohen, Gerald C.

    1994-01-01

    This report describes interpreter composition techniques suitable for the formal specification and verification of a processor-memory module using the HOL theorem proving system. The processor-memory module is a multichip subsystem within a fault-tolerant embedded system under development within the Boeing Defense and Space Group. Modeling and verification methods were developed that permit provably secure composition at the transaction-level of specification, significantly reducing the complexity of the hierarchical verification of the system.

  6. Situationally Embodied Curriculum: Relating Formalisms and Contexts

    ERIC Educational Resources Information Center

    Barab, Sasha; Zuiker, Steve; Warren, Scott; Hickey, Dan; Ingram-Goble, Adam; Kwon, Eun-Ju; Kouper, Inna; Herring, Susan C.

    2007-01-01

    This study describes an example of design-based research in which we make theoretical improvements in our understanding, in part based on empirical work, and use these to revise our curriculum and, simultaneously, our evolving theory of the relations between contexts and disciplinary formalisms. Prior to this study, we completed a first cycle of…

  7. Identifying Concrete and Formal Operational Children.

    ERIC Educational Resources Information Center

    Docherty, Edward M.

    This paper presents a study designed to determine if groups of concrete and formal operational children can be identified through the technique of cluster analysis, using a battery of Piagetian tasks. A Total of 64 subjects, 8 boys and 8 girls from each of the second, fourth, sixth, and eighth grade levels, were selected from a public elementary…

  8. Connecting Formal and Informal Learning Experiences

    ERIC Educational Resources Information Center

    O'Mahony, Timothy Kieran

    2010-01-01

    The learning study reports on part of a larger project being lead by the author. In this dissertation I explore one goal of this project--to understand effects on student learning outcomes as a function of using different methods for connecting out-of-school experiential learning with formal school-based instruction. There is a long history of…

  9. Partial Acquisition of the Formal Operations.

    ERIC Educational Resources Information Center

    Greene, Anita-Louise

    Sixty adolescents, stratified by sex and grade level (i.e., 9th, 12th, and college sophomore) participated in an examination of Piaget's suggestion that the formal operations are prerequisite to the development of political idealism, abstract thought and future time perspective in adolescence. Analysis of the cognition data revealed that the…

  10. Informal Science Learning in the Formal Classroom

    ERIC Educational Resources Information Center

    Walsh, Lori; Straits, William

    2014-01-01

    In this article the authors share advice from the viewpoints of both a formal and informal educator that will help teachers identify the right Informal Science Institutions (ISIs)--institutions that specialize in learning that occurs outside of the school setting--to maximize their students' learning and use informal education to their…

  11. Computer Programming: A Formal Operational Task.

    ERIC Educational Resources Information Center

    Fischer, Gwen Bredendieck

    Concerned with a high failure rate in computer programming courses, two studies were undertaken to discover if two individual cognitive styles--"analytic" (formal thought) and "heuristic" (concrete or pre-operational thought)--were predictors of performance in a beginning computer programming course. To appropriately measure…

  12. A Preliminary Search for Formal Operations Structures.

    ERIC Educational Resources Information Center

    Neimark, Edith D.

    In a test the presence or absence of a "structure" in the individual's cognitive processes of formal operations thinking, 61 fourth, fifth, and sixth grade students were administered three tasks supposedly requiring such a method of thinking. The three tasks were (1) a problem solving task (PS), (2) a chemistry task requiring a certain combination…

  13. HIV Education in the Formal Curriculum

    ERIC Educational Resources Information Center

    Nsubuga, Yusuf K.; Bonnet, Sandrine

    2009-01-01

    The AIDS epidemic presents a complex of issues that require global answers, involving entire societies. The only sustainable solution is to include all sectors of society in a multidisciplinary collaboration, within which the formal education system plays a key role in delivering a comprehensive response to the disease at the national level.…

  14. Chao Formalism and Kondratenko Crossing Tests

    SciTech Connect

    Raymond, R. S.; Chao, A. W.; Krisch, A. D.; Leonova, M. A.; Morozov, V. S.; Sivers, D. W.; Wong, V. K.; Gebel, R.; Lehrach, A.; Lorentz, B.; Maier, R.; Prasuhn, D.; Schnase, A.; Stockhorst, H.; Hinterberger, F.; Ulbrich, K.; Kondratenko, A. M.

    2007-06-13

    We recently started testing Chao's proposed new matrix formalism for describing the spin dynamics due to a single spin resonance; this seems to be the first generalization of the Froissart-Stora equation since it was published in 1960. The Chao matrix formalism allows one to calculate analytically the polarization's behavior inside a resonance, which is not possible using the Froissart-Stora equation. We recently tested some Chao formalism predictions using a 1.85 GeV/c polarized deuteron beam stored in COSY. We swept an rf dipole's frequency through 200 Hz while varying the distance from the sweep's end frequency to an rf-induced spin resonance's central frequency. While the Froissart-Stora formula can make no prediction in this case, the data seem to support the Chao formalism.We also started investigating the new Kondratenko method to preserve beam polarization during a spin resonance crossing; the method uses 3 rapid changes of the crossing rate near the resonance. With a proper choice of crossing parameters, Kondratenko Crossing may better preserve the polarization than simple fast crossing. We tested Kondratenko's idea using 2.1 GeV/c polarized protons stored in COSY; the frequency of a ferrite rf dipole was swept though an rf-induced spin resonance using Kondratenko's crossing shape. We have not yet observed a significant advantage of Kondratenko Crossing over simple fast crossing. We plan to study it further by choosing better crossing parameters and a smaller momentum spread.

  15. 50 CFR 402.14 - Formal consultation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... OF COMMERCE); ENDANGERED SPECIES COMMITTEE REGULATIONS SUBCHAPTER A INTERAGENCY COOPERATION-ENDANGERED SPECIES ACT OF 1973, AS AMENDED Consultation Procedures § 402.14 Formal consultation. (a... time to determine whether any action may affect listed species or critical habitat. If such a...

  16. 50 CFR 402.14 - Formal consultation.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ..., DEPARTMENT OF COMMERCE); ENDANGERED SPECIES COMMITTEE REGULATIONS SUBCHAPTER A INTERAGENCY COOPERATION-ENDANGERED SPECIES ACT OF 1973, AS AMENDED Consultation Procedures § 402.14 Formal consultation. (a... time to determine whether any action may affect listed species or critical habitat. If such a...

  17. 50 CFR 402.14 - Formal consultation.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ..., DEPARTMENT OF COMMERCE); ENDANGERED SPECIES COMMITTEE REGULATIONS SUBCHAPTER A INTERAGENCY COOPERATION-ENDANGERED SPECIES ACT OF 1973, AS AMENDED Consultation Procedures § 402.14 Formal consultation. (a... time to determine whether any action may affect listed species or critical habitat. If such a...

  18. 50 CFR 402.14 - Formal consultation.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... OF COMMERCE); ENDANGERED SPECIES COMMITTEE REGULATIONS SUBCHAPTER A INTERAGENCY COOPERATION-ENDANGERED SPECIES ACT OF 1973, AS AMENDED Consultation Procedures § 402.14 Formal consultation. (a... time to determine whether any action may affect listed species or critical habitat. If such a...

  19. 50 CFR 402.14 - Formal consultation.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ..., DEPARTMENT OF COMMERCE); ENDANGERED SPECIES COMMITTEE REGULATIONS SUBCHAPTER A INTERAGENCY COOPERATION-ENDANGERED SPECIES ACT OF 1973, AS AMENDED Consultation Procedures § 402.14 Formal consultation. (a... time to determine whether any action may affect listed species or critical habitat. If such a...

  20. 18 CFR 1b.5 - Formal investigations.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 18 Conservation of Power and Water Resources 1 2011-04-01 2011-04-01 false Formal investigations. 1b.5 Section 1b.5 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION.... Orders of Investigation will outline the basis for the investigation, the matters to be investigated, the...

  1. 18 CFR 1b.5 - Formal investigations.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 18 Conservation of Power and Water Resources 1 2014-04-01 2014-04-01 false Formal investigations. 1b.5 Section 1b.5 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION.... Orders of Investigation will outline the basis for the investigation, the matters to be investigated, the...

  2. 18 CFR 1b.5 - Formal investigations.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 18 Conservation of Power and Water Resources 1 2010-04-01 2010-04-01 false Formal investigations. 1b.5 Section 1b.5 Conservation of Power and Water Resources FEDERAL ENERGY REGULATORY COMMISSION.... Orders of Investigation will outline the basis for the investigation, the matters to be investigated, the...

  3. Informal and Formal Learning of General Practitioners

    ERIC Educational Resources Information Center

    Spaan, Nadia Roos; Dekker, Anne R. J.; van der Velden, Alike W.; de Groot, Esther

    2016-01-01

    Purpose: The purpose of this study is to understand the influence of formal learning from a web-based training and informal (workplace) learning afterwards on the behaviour of general practitioners (GPs) with respect to prescription of antibiotics. Design/methodology/approach: To obtain insight in various learning processes, semi-structured…

  4. HIV Education in the Formal Curriculum

    ERIC Educational Resources Information Center

    Nsubuga, Yusuf K.; Bonnet, Sandrine

    2009-01-01

    The AIDS epidemic presents a complex of issues that require global answers, involving entire societies. The only sustainable solution is to include all sectors of society in a multidisciplinary collaboration, within which the formal education system plays a key role in delivering a comprehensive response to the disease at the national level.…

  5. Rhythmic Characteristics of Colloquial and Formal Tamil

    ERIC Educational Resources Information Center

    Keane, Elinor

    2006-01-01

    Application of recently developed rhythmic measures to passages of read speech in colloquial and formal Tamil revealed some significant differences between the two varieties, which are in diglossic distribution. Both were also distinguished from a set of control data from British English speakers reading an equivalent passage. The findings have…

  6. Teaching Some Informatics Concepts Using Formal System

    ERIC Educational Resources Information Center

    Yang, Sojung; Park, Seongbin

    2014-01-01

    There are many important issues in informatics and many agree that algorithms and programming are most important issues that need to be included in informatics education (Dagiene and Jevsikova, 2012). In this paper, we propose how some of these issues can be easily taught using the notion of a formal system which consists of axioms and inference…

  7. STUDENTS' MANUAL OF MODERN FORMAL TAMIL.

    ERIC Educational Resources Information Center

    LISKER, LEIGH; VAIDYANATHAN, S.

    A BEGINNING TEXT IN TAMIL, ONE OF THE MOST WIDELY SPOKEN DRAVIDIAN LANGUAGES IN INDIA, IS PRESENTED. THE FORMAL LANGUAGE STYLE USED IN THESE MATERIALS REPRESENTS THE STYLE USED IN LECTURES, RADIO BROADCASTS, AND CITATION FORMS, AND IS ESSENTIALLY THE SPOKEN VERSION OF THE MODERN STANDARD WRITTEN TAMIL. THIS MANUAL, WHILE SERVING AS INTRODUCTION TO…

  8. Formal Foundations for Hierarchical Safety Cases

    NASA Technical Reports Server (NTRS)

    Denney, Ewen; Pai, Ganesh; Whiteside, Iain

    2015-01-01

    Safety cases are increasingly being required in many safety-critical domains to assure, using structured argumentation and evidence, that a system is acceptably safe. However, comprehensive system-wide safety arguments present appreciable challenges to develop, understand, evaluate, and manage, partly due to the volume of information that they aggregate, such as the results of hazard analysis, requirements analysis, testing, formal verification, and other engineering activities. Previously, we have proposed hierarchical safety cases, hicases, to aid the comprehension of safety case argument structures. In this paper, we build on a formal notion of safety case to formalise the use of hierarchy as a structuring technique, and show that hicases satisfy several desirable properties. Our aim is to provide a formal, theoretical foundation for safety cases. In particular, we believe that tools for high assurance systems should be granted similar assurance to the systems to which they are applied. To this end, we formally specify and prove the correctness of key operations for constructing and managing hicases, which gives the specification for implementing hicases in AdvoCATE, our toolset for safety case automation. We motivate and explain the theory with the help of a simple running example, extracted from a real safety case and developed using AdvoCATE.

  9. Catalytic formal Homo-Nazarov cyclization.

    PubMed

    De Simone, Filippo; Andrès, Julien; Torosantucci, Riccardo; Waser, Jérôme

    2009-02-19

    The first catalytic method for the cyclization of vinyl-cyclopropyl ketones (formal homo-Nazarov reaction) is reported. Starting from activated cyclopropanes, heterocyclic, and carbocyclic compounds were obtained under mild conditions using Brønsted acid catalysts. Preliminary investigation of the reaction mechanism indicated a stepwise process.

  10. A Simplified Approach to Product Operator Formalism

    ERIC Educational Resources Information Center

    Spiese, Christopher E.

    2004-01-01

    The utilization of the simple and traditional vector model-based product operator formalism is highlighted. It is seen as a critical device in the area of nuclear magnetic resonance (NMR) spectrometry for a comprehensive analysis of spin coupling and quantum coherences.

  11. 9 CFR 162.13 - Formal complaint.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... ACCREDITATION OF VETERINARIANS AND SUSPENSION OR REVOCATION OF SUCH ACCREDITATION RULES OF PRACTICE GOVERNING REVOCATION OR SUSPENSION OF VETERINARIANS' ACCREDITATION Supplemental Rules of Practice § 162.13 Formal complaint. If a consent order has not been issued, or if, after an informal conference, the Veterinarian-in...

  12. 9 CFR 162.13 - Formal complaint.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... ACCREDITATION OF VETERINARIANS AND SUSPENSION OR REVOCATION OF SUCH ACCREDITATION RULES OF PRACTICE GOVERNING REVOCATION OR SUSPENSION OF VETERINARIANS' ACCREDITATION Supplemental Rules of Practice § 162.13 Formal complaint. If a consent order has not been issued, or if, after an informal conference, the Veterinarian-in...

  13. 9 CFR 162.13 - Formal complaint.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... ACCREDITATION OF VETERINARIANS AND SUSPENSION OR REVOCATION OF SUCH ACCREDITATION RULES OF PRACTICE GOVERNING REVOCATION OR SUSPENSION OF VETERINARIANS' ACCREDITATION Supplemental Rules of Practice § 162.13 Formal complaint. If a consent order has not been issued, or if, after an informal conference, the Veterinarian-in...

  14. 9 CFR 162.13 - Formal complaint.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... ACCREDITATION OF VETERINARIANS AND SUSPENSION OR REVOCATION OF SUCH ACCREDITATION RULES OF PRACTICE GOVERNING REVOCATION OR SUSPENSION OF VETERINARIANS' ACCREDITATION Supplemental Rules of Practice § 162.13 Formal complaint. If a consent order has not been issued, or if, after an informal conference, the Veterinarian-in...

  15. 9 CFR 162.13 - Formal complaint.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... ACCREDITATION OF VETERINARIANS AND SUSPENSION OR REVOCATION OF SUCH ACCREDITATION RULES OF PRACTICE GOVERNING REVOCATION OR SUSPENSION OF VETERINARIANS' ACCREDITATION Supplemental Rules of Practice § 162.13 Formal complaint. If a consent order has not been issued, or if, after an informal conference, the Veterinarian-in...

  16. Quantum formalism to describe binocular rivalry.

    PubMed

    Manousakis, Efstratios

    2009-11-01

    On the basis of the general character and operation of the process of perception, a formalism is sought to mathematically describe the subjective or abstract/mental process of perception. It is shown that the formalism of orthodox quantum theory of measurement, where the observer plays a key role, is a broader mathematical foundation which can be adopted to describe the dynamics of the subjective experience. The mathematical formalism describes the psychophysical dynamics of the subjective or cognitive experience as communicated to us by the subject. Subsequently, the formalism is used to describe simple perception processes and, in particular, to describe the probability distribution of dominance duration obtained from the testimony of subjects experiencing binocular rivalry. Using this theory and parameters based on known values of neuronal oscillation frequencies and firing rates, the calculated probability distribution of dominance duration of rival states in binocular rivalry under various conditions is found to be in good agreement with available experimental data. This theory naturally explains an observed marked increase in dominance duration in binocular rivalry upon periodic interruption of stimulus and yields testable predictions for the distribution of perceptual alteration in time.

  17. Situationally Embodied Curriculum: Relating Formalisms and Contexts

    ERIC Educational Resources Information Center

    Barab, Sasha; Zuiker, Steve; Warren, Scott; Hickey, Dan; Ingram-Goble, Adam; Kwon, Eun-Ju; Kouper, Inna; Herring, Susan C.

    2007-01-01

    This study describes an example of design-based research in which we make theoretical improvements in our understanding, in part based on empirical work, and use these to revise our curriculum and, simultaneously, our evolving theory of the relations between contexts and disciplinary formalisms. Prior to this study, we completed a first cycle of…

  18. Weak rigidity in the PPN formalism

    SciTech Connect

    del Olmo, V.; Olivert, J.

    1987-04-01

    The influence of the concept of weakly rigid almost-thermodynamic material schemes on the classical deformations is analyzed. The methods of the PPN approximation are considered. In this formalism, the equations that characterize the weak rigidity are expressed. As a consequence of that, an increase of two orders of magnitude in the strain rate tensor is obtained.

  19. Formal Schema Theory and Teaching EFL Reading

    ERIC Educational Resources Information Center

    Young, Barbara N; Man, Zhou

    2005-01-01

    Inquirers designed and conducted a study investigating whether or not results derived from previous research focusing on teaching and learning English as a native or foreign language would be replicated in a learning environment in which English is taught as a foreign language as in China. Because activation of formal schemata plays an important…

  20. STUDENTS' MANUAL OF MODERN FORMAL TAMIL.

    ERIC Educational Resources Information Center

    LISKER, LEIGH; VAIDYANATHAN, S.

    A BEGINNING TEXT IN TAMIL, ONE OF THE MOST WIDELY SPOKEN DRAVIDIAN LANGUAGES IN INDIA, IS PRESENTED. THE FORMAL LANGUAGE STYLE USED IN THESE MATERIALS REPRESENTS THE STYLE USED IN LECTURES, RADIO BROADCASTS, AND CITATION FORMS, AND IS ESSENTIALLY THE SPOKEN VERSION OF THE MODERN STANDARD WRITTEN TAMIL. THIS MANUAL, WHILE SERVING AS INTRODUCTION TO…

  1. Formal Synthesis of (±)-Roseophilin

    PubMed Central

    Bitar, Abdallah Y.; Frontier, Alison J.

    2009-01-01

    A formal synthesis of (±)-roseophilin is described. Scandium(III)-catalyzed Nazarov cyclization of 2,5-disubstituted N-tosylpyrrole 19 gives a 5,5’-fused ketopyrrole, and ansa-bridge formation via π-allyl palladium macrocyclization gives 21. PMID:19053717

  2. Informal Science Learning in the Formal Classroom

    ERIC Educational Resources Information Center

    Walsh, Lori; Straits, William

    2014-01-01

    In this article the authors share advice from the viewpoints of both a formal and informal educator that will help teachers identify the right Informal Science Institutions (ISIs)--institutions that specialize in learning that occurs outside of the school setting--to maximize their students' learning and use informal education to their…

  3. 39 CFR 3001.20 - Formal intervention.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Formal intervention. 3001.20 Section 3001.20 Postal Service POSTAL REGULATORY COMMISSION PERSONNEL RULES OF PRACTICE AND PROCEDURE Rules of General... intervenor's interest in the issues to be decided, including the classifications of postal service utilized...

  4. Connecting Formal and Informal Learning Experiences

    ERIC Educational Resources Information Center

    O'Mahony, Timothy Kieran

    2010-01-01

    The learning study reports on part of a larger project being lead by the author. In this dissertation I explore one goal of this project--to understand effects on student learning outcomes as a function of using different methods for connecting out-of-school experiential learning with formal school-based instruction. There is a long history of…

  5. The formal path integral and quantum mechanics

    SciTech Connect

    Johnson-Freyd, Theo

    2010-11-15

    Given an arbitrary Lagrangian function on R{sup d} and a choice of classical path, one can try to define Feynman's path integral supported near the classical path as a formal power series parameterized by 'Feynman diagrams', although these diagrams may diverge. We compute this expansion and show that it is (formally, if there are ultraviolet divergences) invariant under volume-preserving changes of coordinates. We prove that if the ultraviolet divergences cancel at each order, then our formal path integral satisfies a 'Fubini theorem' expressing the standard composition law for the time evolution operator in quantum mechanics. Moreover, we show that when the Lagrangian is inhomogeneous quadratic in velocity such that its homogeneous-quadratic part is given by a matrix with constant determinant, then the divergences cancel at each order. Thus, by 'cutting and pasting' and choosing volume-compatible local coordinates, our construction defines a Feynman-diagrammatic 'formal path integral' for the nonrelativistic quantum mechanics of a charged particle moving in a Riemannian manifold with an external electromagnetic field.

  6. A Simplified Approach to Product Operator Formalism

    ERIC Educational Resources Information Center

    Spiese, Christopher E.

    2004-01-01

    The utilization of the simple and traditional vector model-based product operator formalism is highlighted. It is seen as a critical device in the area of nuclear magnetic resonance (NMR) spectrometry for a comprehensive analysis of spin coupling and quantum coherences.

  7. 28 CFR 68.39 - Formal hearings.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... ALIENS, UNFAIR IMMIGRATION-RELATED EMPLOYMENT PRACTICES, AND DOCUMENT FRAUD § 68.39 Formal hearings. (a... Law Judge shall have jurisdiction to decide all issues of fact and related issues of law. (c) Rights of parties. Every party shall have the right of timely notice and all other rights essential to...

  8. 28 CFR 68.39 - Formal hearings.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... ALIENS, UNFAIR IMMIGRATION-RELATED EMPLOYMENT PRACTICES, AND DOCUMENT FRAUD § 68.39 Formal hearings. (a... Law Judge shall have jurisdiction to decide all issues of fact and related issues of law. (c) Rights of parties. Every party shall have the right of timely notice and all other rights essential to...

  9. An Elementary Formalism for General Relativity.

    ERIC Educational Resources Information Center

    diSessa, Andrea A.

    1981-01-01

    An elementary formalism is developed for representing curved space-time which allows transparent qualitative explanation of general relativistic effects and is used to make a conceptual analysis of Einstein's principle of equivalence. A final section outlines a number of student activities. (Author/SK)

  10. An Elementary Formalism for General Relativity.

    ERIC Educational Resources Information Center

    diSessa, Andrea A.

    1981-01-01

    An elementary formalism is developed for representing curved space-time which allows transparent qualitative explanation of general relativistic effects and is used to make a conceptual analysis of Einstein's principle of equivalence. A final section outlines a number of student activities. (Author/SK)

  11. On the Need for Practical Formal Methods

    DTIC Science & Technology

    1998-01-01

    either a good violin or a highly talented violinist . Light-weight techniques o er software developers good violins. A user need not be a talented... violinist to bene t. This is in contrast to heavy-duty techniques where the user needs to be a good violinist . Formal methods research has already produced a

  12. The Transition to Formal Thinking in Mathematics

    ERIC Educational Resources Information Center

    Tall, David

    2008-01-01

    This paper focuses on the changes in thinking involved in the transition from school mathematics to formal proof in pure mathematics at university. School mathematics is seen as a combination of visual representations, including geometry and graphs, together with symbolic calculations and manipulations. Pure mathematics in university shifts…

  13. HEALTH EDUCATION THROUGH NON – FORMAL EDUCATION

    PubMed Central

    Sundararaj, P. Selva Peter; Kumar, P. Surendra

    1990-01-01

    The non-availability of health care in the rural area leads to the problems like infant mortality, infectious disease deaths and malnutrition. Rural health can be promoted both at preventive and promotive levels through non-formal education. PMID:22556504

  14. Informal and Formal Learning of General Practitioners

    ERIC Educational Resources Information Center

    Spaan, Nadia Roos; Dekker, Anne R. J.; van der Velden, Alike W.; de Groot, Esther

    2016-01-01

    Purpose: The purpose of this study is to understand the influence of formal learning from a web-based training and informal (workplace) learning afterwards on the behaviour of general practitioners (GPs) with respect to prescription of antibiotics. Design/methodology/approach: To obtain insight in various learning processes, semi-structured…

  15. Rhythmic Characteristics of Colloquial and Formal Tamil

    ERIC Educational Resources Information Center

    Keane, Elinor

    2006-01-01

    Application of recently developed rhythmic measures to passages of read speech in colloquial and formal Tamil revealed some significant differences between the two varieties, which are in diglossic distribution. Both were also distinguished from a set of control data from British English speakers reading an equivalent passage. The findings have…

  16. Formal and Applied Counseling in Israel

    ERIC Educational Resources Information Center

    Israelashvili, Moshe; Wegman-Rozi, Orit

    2012-01-01

    Living in Israel is intensive and demanding but also meaningful and exciting. This article addresses the gap between the narrowly defined formal status of counseling in Israel and the widespread occurrence of counseling in various settings. It is argued that several recent changes, especially in the definition of treatment, along with the…

  17. Moving interprofessional learning forward through formal assessment.

    PubMed

    Stone, Judy

    2010-04-01

    There is increasing agreement that graduates who finish tertiary education with the full complement of skills and knowledge required for their designated profession are not 'work-ready' unless they also acquire interpersonal, collaborative practice and team-working capabilities. Health workers are unable to contribute to organisational culture in a positive way unless they too attain these capabilities. These capabilities have been shown to improve health care in terms of patient safety, worker satisfaction and health service efficiency. Given the importance of interprofessional learning (IPL) which seeks to address these capabilities, why is IPL not consistently embedded into the education of undergraduates, postgraduates and vocationally qualified personnel through formal assessment? This paper offers an argument for the formal assessment of IPL. It illustrates how the interests of the many stakeholders in IPL can benefit from, and contribute to, the integration of IPL into mainstream professional development and tertiary education. It offers practical examples of assessment in IPL which could drive learning and offer authentic, contextual teaching and learning experiences to undergraduates and health workers alike. Assessment drives learning and without formal assessment IPL will continue to be viewed as an optional topic of little relative importance for learners. In order to make the next step forward, IPL needs to be recognised and endorsed through formal assessment, both at the tertiary education level and within the workplace environment. This is supported by workforce initiatives and tertiary education policy which can be used to specify the capabilities or generic skills necessary for effective teamwork and collaborative practice.

  18. A formal theory of the selfish gene.

    PubMed

    Gardner, A; Welch, J J

    2011-08-01

    Adaptation is conventionally regarded as occurring at the level of the individual organism. In contrast, the theory of the selfish gene proposes that it is more correct to view adaptation as occurring at the level of the gene. This view has received much popular attention, yet has enjoyed only limited uptake in the primary research literature. Indeed, the idea of ascribing goals and strategies to genes has been highly controversial. Here, we develop a formal theory of the selfish gene, using optimization theory to capture the analogy of 'gene as fitness-maximizing agent' in mathematical terms. We provide formal justification for this view of adaptation by deriving mathematical correspondences that translate the optimization formalism into dynamical population genetics. We show that in the context of social interactions between genes, it is the gene's inclusive fitness that provides the appropriate maximand. Hence, genic selection can drive the evolution of altruistic genes. Finally, we use the formalism to assess the various criticisms that have been levelled at the theory of the selfish gene, dispelling some and strengthening others.

  19. Trainability of Formal Operations in Adulthood.

    ERIC Educational Resources Information Center

    Rankin, Jane; And Others

    Past studies have shown that, although older adults are more likely than young adults to fail various concrete operational tasks, age differences on these tasks can be eliminated through short-term training. To test the trainability of formal, rather than concrete, operations college students (N=27) were compared with older adults (N=27).…

  20. Aspects of Financing Non-Formal Education.

    ERIC Educational Resources Information Center

    Morales, Francisco X. Swett

    1983-01-01

    Various financing structures for nonformal education are presented, using examples from Colombia, Brazil, Costa Rica, and Ecuador. Many resources of the formal education system can be used in the planning, coordination, and execution of nonformal education. The importance of community involvement and financial backing is stressed. (JA)

  1. Formally verifying Ada programs which use real number types

    NASA Technical Reports Server (NTRS)

    Sutherland, David

    1986-01-01

    Formal verification is applied to programs which use real number arithmetic operations (mathematical programs). Formal verification of a program P consists of creating a mathematical model of F, stating the desired properties of P in a formal logical language, and proving that the mathematical model has the desired properties using a formal proof calculus. The development and verification of the mathematical model are discussed.

  2. 20 CFR 702.336 - Formal hearings; new issues.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Formal hearings; new issues. 702.336 Section... Procedures Formal Hearings § 702.336 Formal hearings; new issues. (a) If, during the course of the formal..., the hearing may be expanded to include the new issue. If in the opinion of the administrative law...

  3. The Formality of the Latinate Lexicon in English.

    ERIC Educational Resources Information Center

    Levin, Harry; And Others

    1981-01-01

    Tests the hypothesis that Latinate words are preferred to Anglo-Saxon words in formal instructions or tasks that vary in formality. Three experiments were done, each implementing varying degrees of formality. Situations that call out Latinate words must be unequivocally formal. (Author/PJM)

  4. 20 CFR 702.332 - Formal hearings; how conducted.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Formal hearings; how conducted. 702.332 Section 702.332 Employees' Benefits EMPLOYMENT STANDARDS ADMINISTRATION, DEPARTMENT OF LABOR LONGSHOREMEN... Adjudication Procedures Formal Hearings § 702.332 Formal hearings; how conducted. Formal hearings shall...

  5. Formalism and the notion of truth

    NASA Astrophysics Data System (ADS)

    Spencer, Joseph M.

    The most widely acknowledged conceptions of truth take some kind of relation to be at truth's core. This dissertation attempts to establish that an adequate conception of this relation begins with an investigation of the entanglement of the formal and the material as set forth in the model theoretical development of set theoretical mathematics. Truth concerns first and most crucially a certain commerce across the border between the formal and the material, between the ideal and the real. The entanglement of the formal and the material must be thought in itself, apart from or prior to any assimilation into philosophical schemas committed to larger metaphysical claims. This is accomplished in model theory. The twentieth century witnessed two attempts at bringing model theoretical mathematics to bear on accounting philosophically for the concept of truth: that of Alfred Tarski, and that of Alain Badiou. In order to investigate the relevance of model theory to the task of working out a philosophical conception of truth, this dissertation investigates, through comparative work, these two thinkers. It is necessary to see where their projects converge in important ways, as well as where their projects diverge in equally important ways. What brings their work into close proximity is their shared conviction that truth must be thought in light of model theory. Nonetheless, the two do not agree about exactly how model theory sheds light on truth. Comparative study thus reveals both a shared site for thinking and a struggle over the significance of that site. Agreement between Tarski and Badiou concerns the excess of the purely formal over itself, marked by the generation of an undecidable statement within formal systems of a certain level of complexity. Both thinkers determine that this formal excess touches on the material, and both further determine that the consequent entanglement of the formal and the material provides the basic frame for any philosophical consideration

  6. Suitability of Varicose Veins for Endovenous Treatments

    SciTech Connect

    Goode, S. D.; Kuhan, G.; Altaf, N.; Simpson, R.; Beech, A.; Richards, T.; MacSweeney, S. T.; Braithwaite, B. D.

    2009-09-15

    The aim of the study was to assess the suitability of radiofrequency ablation (RFA), endovenous laser ablation (EVLA), and foam sclerotherapy (FS) for patients with symptomatic varicose veins (VVs). The study comprised 403 consecutive patients with symptomatic VVs. Data on 577 legs from 403 consecutive patients with symptomatic VVs were collected for the year 2006. Median patient age was 55 years (interquartile range 45-66), and 62% patients were women. A set of criteria based on duplex ultrasonography was used to select patients for each procedure. Great saphenous vein (GSV) reflux was present in 77% (446 of 577) of legs. Overall, 328 (73%) of the legs were suitable for at least one of the endovenous options. Of the 114 legs with recurrent GSV reflux disease, 83 (73%) were suitable to receive endovenous therapy. Patients with increasing age were less likely to be suitable for endovenous therapy (P = 0.03). Seventy-three percent of patients with VVs caused by GSV incompetence are suitable for endovenous therapy.

  7. Formal concept analysis and linguistic hedges

    NASA Astrophysics Data System (ADS)

    Belohlavek, Radim; Vychodil, Vilem

    2012-07-01

    This paper presents an application of linguistic hedges to formal concept analysis of data with fuzzy attributes. Formal concept analysis aims at extraction of particular (bi-)clusters, called formal concepts, from data. The clusters link collections of objects (extents) and attributes (intents), and have a clear interpretation due to a simple verbal description of the concept-forming operators. We insert linguistic hedges such as 'very' or 'extremely' in the description of the operators. In this way, linguistic hedges become parameters for formal concept analysis that control the number of clusters extracted from data. Namely, as we show theoretically as well as experimentally, stronger hedges result in a smaller number of clusters. The new concept-forming operators form Galois-like connections. We study their properties and axiomatize them. Then, we show that a concept lattice with hedges, i.e. the set of all formal concepts of the new operators is indeed a complete lattice which is isomorphic to a particular ordinary concept lattice. We describe the isomorphism and its inverse. These mappings serve as translation procedures. As a consequence, we obtain a theorem characterizing the structure of concept lattices with hedges which generalizes the well-known main theorem of ordinary concept lattices. The isomorphism and its inverse enable us to compute a concept lattice with hedges using algorithms for ordinary concept lattices. We demonstrate by experiments that when selecting various hedges from the strongest to weaker hedges, the reduction in size of the corresponding concept lattices is smooth. From a broader perspective, we argue that linguistic hedges represent mathematically and computationally a feasible way to parameterize methods for knowledge extraction from data that enable one to emphasize or to suppress extracted patterns while keeping their interpretation.

  8. Formal Methods of V&V of Partial Specifications: An Experience Report

    NASA Technical Reports Server (NTRS)

    Easterbrook, Steve; Callahan, John

    1997-01-01

    This paper describes our work exploring the suitability of formal specification methods for independent verification and validation (IV&V) of software specifications for large, safety critical systems. An IV&V contractor often has to perform rapid analysis on incomplete specifications, with no control over how those specifications are represented. Lightweight formal methods show significant promise in this context, as they offer a way of uncovering major errors, without the burden of full proofs of correctness. We describe an experiment in the application of the method SCR. to testing for consistency properties of a partial model of requirements for Fault Detection Isolation and Recovery on the space station. We conclude that the insights gained from formalizing a specification is valuable, and it is the process of formalization, rather than the end product that is important. It was only necessary to build enough of the formal model to test the properties in which we were interested. Maintenance of fidelity between multiple representations of the same requirements (as they evolve) is still a problem, and deserves further study.

  9. Formal verification of medical monitoring software using Z language: a representative sample.

    PubMed

    Babamir, Seyed Morteza; Borhani, Mehdi

    2012-08-01

    Medical monitoring systems are useful aids assisting physicians in keeping patients under constant surveillance; however, taking sound decision by the systems is a physician concern. As a result, verification of the systems behavior in monitoring patients is a matter of significant. The patient monitoring is undertaken by software in modern medical systems; so, software verification of modern medial systems have been noticed. Such verification can be achieved by the Formal Languages having mathematical foundations. Among others, the Z language is a suitable formal language has been used to formal verification of systems. This study aims to present a constructive method to verify a representative sample of a medical system by which the system is visually specified and formally verified against patient constraints stated in Z Language. Exploiting our past experience in formal modeling Continuous Infusion Insulin Pump (CIIP), we think of the CIIP system as a representative sample of medical systems in proposing our present study. The system is responsible for monitoring diabetic's blood sugar.

  10. Evaluation of a habitat suitability index model

    USGS Publications Warehouse

    Farmer, A.H.; Cade, B.S.; Stauffer, D.F.

    2002-01-01

    We assisted with development of a model for maternity habitat of the Indiana bat (Myotis soda/is), for use in conducting assessments of projects potentially impacting this endangered species. We started with an existing model, modified that model in a workshop, and evaluated the revised model, using data previously collected by others. Our analyses showed that higher indices of habitat suitability were associated with sites where Indiana bats were present and, thus, the model may be useful for identifying suitable habitat. Utility of the model, however, was based on a single component-density of suitable roost trees. Percentage of landscape in forest did not allow differentiation between sites occupied and not occupied by Indiana bats. Moreover, in spite of a general opinion by participants in the workshop that bodies of water were highly productive feeding areas and that a diversity of feeding habitats was optimal, we found no evidence to support either hypothesis.

  11. [Ecology suitability study of Ephedra intermedia].

    PubMed

    Ma, Xiao-Hui; Lu, You-Yuan; Huang, De-Dong; Zhu, Tian-Tian; Lv, Pei-Lin; Jin, Ling

    2017-06-01

    The study aims at predicting ecological suitability of Ephedra intermedia in China by using maximum entropy Maxent model combined with GIS, and finding the main ecological factors affecting the distribution of E. intermedia suitability in appropriate growth area. Thirty-eight collected samples of E. intermedia and E. intermedia and 116 distribution information from CVH information using ArcGIS technology were analyzed. MaxEnt model was applied to forecast the E. intermedia in our country's ecology. E. intermedia MaxEnt ROC curve model training data and testing data sets the AUC value was 0.986 and 0.958, respectively, which were greater than 0.9, tending to be 1.The calculated E. intermedia habitat suitability by the model showed a high accuracy and credibility, which indicated that MaxEnt model could well predict the potential distribution area of E. intermedia in China. Copyright© by the Chinese Pharmaceutical Association.

  12. Formal Assurance Certifiable Tooling Formal Assurance Certifiable Tooling Strategy Final Report

    NASA Technical Reports Server (NTRS)

    Bush, Eric; Oglesby, David; Bhatt, Devesh; Murugesan, Anitha; Engstrom, Eric; Mueller, Joe; Pelican, Michael

    2017-01-01

    This is the Final Report of a research project to investigate issues and provide guidance for the qualification of formal methods tools under the DO-330 qualification process. It consisted of three major subtasks spread over two years: 1) an assessment of theoretical soundness issues that may affect qualification for three categories of formal methods tools, 2) a case study simulating the DO-330 qualification of two actual tool sets, and 3) an investigation of risk mitigation strategies that might be applied to chains of such formal methods tools in order to increase confidence in their certification of airborne software.

  13. Habitat Suitability Index Models: Eastern brown pelican

    USGS Publications Warehouse

    Hingtgen, Terrence M.; Mulholland, Rosemarie; Zale, Alexander V.

    1985-01-01

    A review and synthesis of existing information were used to develop a habitat model for the eastern brown pelican (Pelecanus occidentalis carolinensis). The model is scaled to produce an index of habitat suitability between 0 (unsuitable habitat) and 1.0 (optimal habitat) for coastal areas within the eastern brown pelican's breeding range. Habitat suitability indices are designed for use with the Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service. Guidelines for application of the eastern brown pelican habitat model and techniques for measuring model variables are described.

  14. Habitat Suitability Index Models: Lewis' woodpecker

    USGS Publications Warehouse

    Sousa, Patrick J.

    1983-01-01

    This document is part of the Habitat Suitability Index (HSI) Model Series (FWS/OBS-82/10), which provides habitat information useful for impact assessment and habitat management. Several types of habitat i nformat i on are provided. The Habitat Use Information Section is largely constrained to those data that can be used to derive quantitative relationships between key environmental variables and habitat suitability. The habitat use information provides the foundation for HSI models that follow. In addition, this same information may be useful in the development of other models more appropriate to specific assessment or evaluation needs.

  15. Habitat Suitability Index Models: Lesser scaup (wintering)

    USGS Publications Warehouse

    Mulholland, Rosemarie

    1985-01-01

    A review and synthesis of existing information were used to develop a model for evaluating wintering habitat quality for the lesser scaup (Aythya affinis). The model is scaled to produce an index of habitat suitability between 0.0 (unsuitable habitat) to 1.0 (optimal habitat) for Southern Atlantic and Gulf of Mexico coastal areas of the continental United States. Habitat suitability indices are designed for use with the Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service Guidelines for model application and techniques for measuring model variables are provided.

  16. Formal Safety Certification of Aerospace Software

    NASA Technical Reports Server (NTRS)

    Denney, Ewen; Fischer, Bernd

    2005-01-01

    In principle, formal methods offer many advantages for aerospace software development: they can help to achieve ultra-high reliability, and they can be used to provide evidence of the reliability claims which can then be subjected to external scrutiny. However, despite years of research and many advances in the underlying formalisms of specification, semantics, and logic, formal methods are not much used in practice. In our opinion this is related to three major shortcomings. First, the application of formal methods is still expensive because they are labor- and knowledge-intensive. Second, they are difficult to scale up to complex systems because they are based on deep mathematical insights about the behavior of the systems (t.e., they rely on the "heroic proof"). Third, the proofs can be difficult to interpret, and typically stand in isolation from the original code. In this paper, we describe a tool for formally demonstrating safety-relevant aspects of aerospace software, which largely circumvents these problems. We focus on safely properties because it has been observed that safety violations such as out-of-bounds memory accesses or use of uninitialized variables constitute the majority of the errors found in the aerospace domain. In our approach, safety means that the program will not violate a set of rules that can range for the simple memory access rules to high-level flight rules. These different safety properties are formalized as different safety policies in Hoare logic, which are then used by a verification condition generator along with the code and logical annotations in order to derive formal safety conditions; these are then proven using an automated theorem prover. Our certification system is currently integrated into a model-based code generation toolset that generates the annotations together with the code. However, this automated formal certification technology is not exclusively constrained to our code generator and could, in principle, also be

  17. Formal higher-spin theories and Kontsevich-Shoikhet-Tsygan formality

    NASA Astrophysics Data System (ADS)

    Sharapov, Alexey; Skvortsov, Evgeny

    2017-08-01

    The formal algebraic structures that govern higher-spin theories within the unfolded approach turn out to be related to an extension of the Kontsevich formality, namely, the Shoikhet-Tsygan formality. Effectively, this allows one to construct the Hochschild cocycles of higher-spin algebras that make the interaction vertices. As an application of these results we construct a family of Vasiliev-like equations that generate the Hochschild cocycles with sp (2 n) symmetry from the corresponding cycles. A particular case of sp (4) may be relevant for the on-shell action of the 4d theory. We also give the exact equations that describe propagation of higher-spin fields on a higher-spin flat background. The consistency of formal higher-spin theories turns out to have a purely geometric interpretation: there exists a certain symplectic invariant associated to cutting a polytope into simplices, namely, the Alexander-Spanier cocycle.

  18. Arc Habitat Suitability Index computer software

    Treesearch

    Thomas M. Juntti; Mark A. Rumble

    2006-01-01

    This user manual describes the Arc Habitat Suitability Index (ArcHSI), which is a geographical information system (GIS) model that estimates the ability of an area to meet the food and cover requirements of an animal species. The components and parameters of the model occur in tables and can be easily edited or otherwise modified. ArcHSI runs on personal computers with...

  19. Elk habitat suitability map for North Carolina

    USGS Publications Warehouse

    Williams, Steven G.; Cobb, David T.; Collazo, Jaime

    2015-01-01

    Although eastern elk (Cervus elaphus canadensis) were extirpated from the eastern United States in the 19th century, they were successfully reintroduced in the North Carolina portion of the Great Smoky Mountains National Park in the early 2000s. The North Carolina Wildlife Resources Commission (NCWRC) is evaluating the prospect of reintroducing the species in other locations in the state to augment recreational opportunities. As a first step in the process, we created a state-wide elk habitat suitability map. We used medium-scale data sets and a two-component approach to iden- tify areas of high biological value for elk and exclude from consideration areas where elk-human conflicts were more likely. Habitats in the state were categorized as 66% unsuitable, 16.7% low, 17% medium, and <1% high suitability for elk. The coastal plain and Piedmont contained the most suitable habitat, but prospective reintroduction sites were largely excluded from consideration due to extensive agricultural activities and pervasiveness of secondary roads. We ranked 31 areas (≥ 500 km2) based on their suitability for reintroduction. The central region of the state contained the top five ranked areas. The Blue Ridge Mountains, where the extant population of elk occurs, was ranked 21st. Our work provides a benchmark for decision makers to evaluate potential consequences and trade-offs associated with the selection of prospective elk reintroduction sites.

  20. 24 CFR 581.6 - Suitability criteria.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... handling flammable or explosive material (excluding underground storage) will be determined unsuitable..., will not affect whether a particular property is determined suitable or unsuitable. Underground storage... provided in paragraph (a)(5) of this section. (3) Runway clear zone and military airfield clear zone. A...

  1. 45 CFR 12a.6 - Suitability criteria.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... underground storage) will be determined unsuitable. Above ground containers with a capacity of 100 gallons or... determined suitable or unsuitable. Underground storage, gasoline stations and tank trucks are not included in...) Runway clear zone and military airfield clear zone. A property located within an airport runway clear...

  2. 24 CFR 581.6 - Suitability criteria.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... handling flammable or explosive material (excluding underground storage) will be determined unsuitable..., will not affect whether a particular property is determined suitable or unsuitable. Underground storage... provided in paragraph (a)(5) of this section. (3) Runway clear zone and military airfield clear zone. A...

  3. 24 CFR 581.6 - Suitability criteria.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... handling flammable or explosive material (excluding underground storage) will be determined unsuitable..., will not affect whether a particular property is determined suitable or unsuitable. Underground storage... provided in paragraph (a)(5) of this section. (3) Runway clear zone and military airfield clear zone. A...

  4. 45 CFR 12a.6 - Suitability criteria.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... underground storage) will be determined unsuitable. Above ground containers with a capacity of 100 gallons or... determined suitable or unsuitable. Underground storage, gasoline stations and tank trucks are not included in...) Runway clear zone and military airfield clear zone. A property located within an airport runway clear...

  5. 45 CFR 12a.6 - Suitability criteria.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... underground storage) will be determined unsuitable. Above ground containers with a capacity of 100 gallons or... determined suitable or unsuitable. Underground storage, gasoline stations and tank trucks are not included in...) Runway clear zone and military airfield clear zone. A property located within an airport runway clear...

  6. 10 CFR 26.63 - Suitable inquiry.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Granting and Maintaining Authorization § 26.63 Suitable.... Licensees and other entities may also rely on those licensees' and entities' determinations of fitness that..., and other information that could reflect on the individual's fitness to be granted authorization. (2...

  7. 10 CFR 26.63 - Suitable inquiry.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Granting and Maintaining Authorization § 26.63 Suitable.... Licensees and other entities may also rely on those licensees' and entities' determinations of fitness that..., and other information that could reflect on the individual's fitness to be granted authorization. (2...

  8. 10 CFR 26.63 - Suitable inquiry.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Granting and Maintaining Authorization § 26.63 Suitable.... Licensees and other entities may also rely on those licensees' and entities' determinations of fitness that..., and other information that could reflect on the individual's fitness to be granted authorization. (2...

  9. 10 CFR 26.63 - Suitable inquiry.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Granting and Maintaining Authorization § 26.63 Suitable.... Licensees and other entities may also rely on those licensees' and entities' determinations of fitness that..., and other information that could reflect on the individual's fitness to be granted authorization. (2...

  10. 10 CFR 26.63 - Suitable inquiry.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... REGULATORY COMMISSION FITNESS FOR DUTY PROGRAMS Granting and Maintaining Authorization § 26.63 Suitable.... Licensees and other entities may also rely on those licensees' and entities' determinations of fitness that..., and other information that could reflect on the individual's fitness to be granted authorization. (2...

  11. 7 CFR 1955.63 - Suitability determination.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 14 2010-01-01 2009-01-01 true Suitability determination. 1955.63 Section 1955.63 Agriculture Regulations of the Department of Agriculture (Continued) RURAL HOUSING SERVICE, RURAL BUSINESS...) PROGRAM REGULATIONS (CONTINUED) PROPERTY MANAGEMENT Management of Property § 1955.63...

  12. Assessing the Suitability of Water for Irrigation

    USDA-ARS?s Scientific Manuscript database

    Introduction Water quality assessment to evaluate the suitability of an irrigation water has traditionally (Ayers and Westcot, 1985) considered only salinity and SAR (sodium adsorption ratio). The criteria have been developed from a combination of field observations by experts and short duration co...

  13. A suitable model for emeraldine salt.

    PubMed

    Varela-Alvarez, Adrián; Sordo, José A

    2008-05-07

    A new mechanism for the formation of doped polyaniline is presented. Besides providing suitable structural and spectroscopic parameters, the new mechanism allows for the rationalization of the experimentally observed equilibrium between polaron and bipolaron defects in emeraldine salt. The magnetic behavior and the "metallic island" model for conduction in doped polyaniline are also theoretically supported by the new proposal.

  14. Generalizing Prototype Theory: A Formal Quantum Framework

    PubMed Central

    Aerts, Diederik; Broekaert, Jan; Gabora, Liane; Sozzo, Sandro

    2016-01-01

    Theories of natural language and concepts have been unable to model the flexibility, creativity, context-dependence, and emergence, exhibited by words, concepts and their combinations. The mathematical formalism of quantum theory has instead been successful in capturing these phenomena such as graded membership, situational meaning, composition of categories, and also more complex decision making situations, which cannot be modeled in traditional probabilistic approaches. We show how a formal quantum approach to concepts and their combinations can provide a powerful extension of prototype theory. We explain how prototypes can interfere in conceptual combinations as a consequence of their contextual interactions, and provide an illustration of this using an intuitive wave-like diagram. This quantum-conceptual approach gives new life to original prototype theory, without however making it a privileged concept theory, as we explain at the end of our paper. PMID:27065436

  15. Viscous warm inflation: Hamilton-Jacobi formalism

    NASA Astrophysics Data System (ADS)

    Akhtari, L.; Mohammadi, A.; Sayar, K.; Saaidi, Kh.

    2017-04-01

    Using Hamilton-Jacobi formalism, the scenario of warm inflation with viscous pressure is considered. The formalism gives a way of computing the slow-rolling parameter without extra approximation, and it is well-known as a powerful method in cold inflation. The model is studied in detail for three different cases of the dissipation and bulk viscous pressure coefficients. In the first case where both coefficients are taken as constant, it is shown that the case could not portray warm inflationary scenario compatible with observational data even it is possible to restrict the model parameters. For other cases, the results shows that the model could properly predicts the perturbation parameters in which they stay in perfect agreement with Planck data. As a further argument, r -ns and αs -ns are drown that show the acquired result could stand in acceptable area expressing a compatibility with observational data.

  16. Theory of connectivity for formally symmetric operators

    PubMed Central

    Herrera, Ismael

    1977-01-01

    A previous paper introduced the notion of complete connectivity conditions and developed variational principles for diffraction problems subjected to such restrictions. Here, an abstract definition of formally symmetric operators is given and it is shown that the problem of connecting solutions of equations associated with this kind of operators leads to complete connectivity conditions. The variational principles previously developed as well as a present more general one are thus applicable. The problem of connecting solutions defined in different regions is basic for finite element formulations. Formally symmetric operators occur in many branches of science and engineering. Applications are given here to potential theory, wave propagation, elasticity, and a general class of boundary integral equations. PMID:16592459

  17. Hartle formalism for rotating Newtonian configurations

    NASA Astrophysics Data System (ADS)

    Boshkayev, Kuantay; Quevedo, Hernando; Kalymova, Zhanerke; Zhami, Bakytzhan

    2016-11-01

    We apply the Hartle formalism to study equilibrium configurations in the framework of Newtonian gravity. This approach allows one to study in a simple manner the properties of the interior gravitational field in the case of static as well as stationary rotating stars in hydrostatic equilibrium. It is shown that the gravitational equilibrium conditions reduce to a system of ordinary differential equations which can be integrated numerically. We derive all the relevant equations up to the second order in the angular velocity. Moreover, we find explicitly the total mass, the moment of inertia, the quadrupole moment, the polar and equatorial radii, the eccentricity and the gravitational binding energy of the rotating body. We also present the procedure to calculate the gravitational Love number. We test the formalism in the case of white dwarfs and show its compatibility with the known results in the literature.

  18. Formal Management of CAD/CAM Processes

    NASA Astrophysics Data System (ADS)

    Kohlhase, Michael; Lemburg, Johannes; Schröder, Lutz; Schulz, Ewaryst

    Systematic engineering design processes have many aspects in common with software engineering, with CAD/CAM objects replacing program code as the implementation stage of the development. They are, however, currently considerably less formal. We propose to draw on the mentioned similarities and transfer methods from software engineering to engineering design in order to enhance in particular the reliability and reusability of engineering processes. We lay out a vision of a document-oriented design process that integrates CAD/CAM documents with requirement specifications; as a first step towards supporting such a process, we present a tool that interfaces a CAD system with program verification workflows, thus allowing for completely formalised development strands within a semi-formal methodology.

  19. Generalizing Prototype Theory: A Formal Quantum Framework.

    PubMed

    Aerts, Diederik; Broekaert, Jan; Gabora, Liane; Sozzo, Sandro

    2016-01-01

    Theories of natural language and concepts have been unable to model the flexibility, creativity, context-dependence, and emergence, exhibited by words, concepts and their combinations. The mathematical formalism of quantum theory has instead been successful in capturing these phenomena such as graded membership, situational meaning, composition of categories, and also more complex decision making situations, which cannot be modeled in traditional probabilistic approaches. We show how a formal quantum approach to concepts and their combinations can provide a powerful extension of prototype theory. We explain how prototypes can interfere in conceptual combinations as a consequence of their contextual interactions, and provide an illustration of this using an intuitive wave-like diagram. This quantum-conceptual approach gives new life to original prototype theory, without however making it a privileged concept theory, as we explain at the end of our paper.

  20. Formal Definition of Measures for BPMN Models

    NASA Astrophysics Data System (ADS)

    Reynoso, Luis; Rolón, Elvira; Genero, Marcela; García, Félix; Ruiz, Francisco; Piattini, Mario

    Business process models are currently attaining more relevance, and more attention is therefore being paid to their quality. This situation led us to define a set of measures for the understandability of BPMN models, which is shown in a previous work. We focus on understandability since a model must be well understood before any changes are made to it. These measures were originally informally defined in natural language. As is well known, natural language is ambiguous and may lead to misunderstandings and a misinterpretation of the concepts captured by a measure and the way in which the measure value is obtained. This has motivated us to provide the formal definition of the proposed measures using OCL (Object Constraint Language) upon the BPMN (Business Process Modeling Notation) metamodel presented in this paper. The main advantages and lessons learned (which were obtained both from the current work and from previous works carried out in relation to the formal definition of other measures) are also summarized.

  1. A Formal Basis for Safety Case Patterns

    NASA Technical Reports Server (NTRS)

    Denney, Ewen; Pai, Ganesh

    2013-01-01

    By capturing common structures of successful arguments, safety case patterns provide an approach for reusing strategies for reasoning about safety. In the current state of the practice, patterns exist as descriptive specifications with informal semantics, which not only offer little opportunity for more sophisticated usage such as automated instantiation, composition and manipulation, but also impede standardization efforts and tool interoperability. To address these concerns, this paper gives (i) a formal definition for safety case patterns, clarifying both restrictions on the usage of multiplicity and well-founded recursion in structural abstraction, (ii) formal semantics to patterns, and (iii) a generic data model and algorithm for pattern instantiation. We illustrate our contributions by application to a new pattern, the requirements breakdown pattern, which builds upon our previous work

  2. A Formal Framework for Workflow Analysis

    NASA Astrophysics Data System (ADS)

    Cravo, Glória

    2010-09-01

    In this paper we provide a new formal framework to model and analyse workflows. A workflow is the formal definition of a business process that consists in the execution of tasks in order to achieve a certain objective. In our work we describe a workflow as a graph whose vertices represent tasks and the arcs are associated to workflow transitions. Each task has associated an input/output logic operator. This logic operator can be the logical AND (•), the OR (⊗), or the XOR -exclusive-or—(⊕). Moreover, we introduce algebraic concepts in order to completely describe completely the structure of workflows. We also introduce the concept of logical termination. Finally, we provide a necessary and sufficient condition for this property to hold.

  3. Formal verification of human-automation interaction.

    PubMed

    Degani, Asaf; Heymann, Michael

    2002-01-01

    This paper discusses a formal and rigorous approach to the analysis of operator interaction with machines. It addresses the acute problem of detecting design errors in human-machine interaction and focuses on verifying the correctness of the interaction in complex and automated control systems. The paper describes a systematic methodology for evaluating whether the interface provides the necessary information about the machine to enable the operator to perform a specified task successfully and unambiguously. It also addresses the adequacy of information provided to the user via training material (e.g., user manual) about the machine's behavior. The essentials of the methodology, which can be automated and applied to the verification of large systems, are illustrated by several examples and through a case study of pilot interaction with an autopilot aboard a modern commercial aircraft. The expected application of this methodology is an augmentation and enhancement, by formal verification, of human-automation interfaces.

  4. Measurements and mathematical formalism of quantum mechanics

    NASA Astrophysics Data System (ADS)

    Slavnov, D. A.

    2007-03-01

    A scheme for constructing quantum mechanics is given that does not have Hilbert space and linear operators as its basic elements. Instead, a version of algebraic approach is considered. Elements of a noncommutative algebra (observables) and functionals on this algebra (elementary states) associated with results of single measurements are used as primary components of the scheme. On the one hand, it is possible to use within the scheme the formalism of the standard (Kolmogorov) probability theory, and, on the other hand, it is possible to reproduce the mathematical formalism of standard quantum mechanics, and to study the limits of its applicability. A short outline is given of the necessary material from the theory of algebras and probability theory. It is described how the mathematical scheme of the paper agrees with the theory of quantum measurements, and avoids quantum paradoxes.

  5. Analyzing phonetic confusions using formal concept analysis.

    PubMed

    Peláez-Moreno, C; García-Moral, A I; Valverde-Albacete, F J

    2010-09-01

    Confusion matrices have been used as a tool for the analysis of speech perception or human speech recognition (HSR) for decades. However, they are rarely employed in automatic speech recognition (ASR) mainly due to the lack of a systematic procedure for their exploration. The generalization of formal concept analysis employed in this paper provides a conceptual interpretation of confusion matrices that enables the analysis of the structure of confusions for both human and machine performances. Generalized formal concept analysis transforms confusion matrices into ordered lattices of confusion events, supporting classic results in HSR that identify a hierarchy of virtual articulatory-acoustic channels. Translating this technique into ASR, a detailed map of the relationships among the speech units employed in the system can be traced to make different sources of confusions apparent: the influence of the lexicon, segmentation errors, dialectal variations or limitations of the feature extraction procedures, among others.

  6. Formal verification of human-automation interaction

    NASA Technical Reports Server (NTRS)

    Degani, Asaf; Heymann, Michael

    2002-01-01

    This paper discusses a formal and rigorous approach to the analysis of operator interaction with machines. It addresses the acute problem of detecting design errors in human-machine interaction and focuses on verifying the correctness of the interaction in complex and automated control systems. The paper describes a systematic methodology for evaluating whether the interface provides the necessary information about the machine to enable the operator to perform a specified task successfully and unambiguously. It also addresses the adequacy of information provided to the user via training material (e.g., user manual) about the machine's behavior. The essentials of the methodology, which can be automated and applied to the verification of large systems, are illustrated by several examples and through a case study of pilot interaction with an autopilot aboard a modern commercial aircraft. The expected application of this methodology is an augmentation and enhancement, by formal verification, of human-automation interfaces.

  7. Stochastic Formal Correctness of Numerical Algorithms

    NASA Technical Reports Server (NTRS)

    Daumas, Marc; Lester, David; Martin-Dorel, Erik; Truffert, Annick

    2009-01-01

    We provide a framework to bound the probability that accumulated errors were never above a given threshold on numerical algorithms. Such algorithms are used for example in aircraft and nuclear power plants. This report contains simple formulas based on Levy's and Markov's inequalities and it presents a formal theory of random variables with a special focus on producing concrete results. We selected four very common applications that fit in our framework and cover the common practices of systems that evolve for a long time. We compute the number of bits that remain continuously significant in the first two applications with a probability of failure around one out of a billion, where worst case analysis considers that no significant bit remains. We are using PVS as such formal tools force explicit statement of all hypotheses and prevent incorrect uses of theorems.

  8. Flexible receiver adapter formal design review

    SciTech Connect

    Krieg, S.A.

    1995-06-13

    This memo summarizes the results of the Formal (90%) Design Review process and meetings held to evaluate the design of the Flexible Receiver Adapters, support platforms, and associated equipment. The equipment is part of the Flexible Receiver System used to remove, transport, and store long length contaminated equipment and components from both the double and single-shell underground storage tanks at the 200 area tank farms.

  9. Terra in K-16 formal education settings

    NASA Astrophysics Data System (ADS)

    Chambers, L. H.; Fischer, J. D.; Lewis, P. M.; Moore, S. W.; Oots, P. C.; Rogerson, T. M.; Hitke, K. M.; Riebeek, H.

    2009-12-01

    Since it began, the Terra mission has had an active presence in formal education at the K-16 level. This educational presence was provided through the S’COOL project for the first five years of the mission, joined by the MY NASA DATA project for the second five years. The Students’ Cloud Observations On-Line (S’COOL) Project, begun in 1997 under the auspices of the Clouds and the Earth’s Radiant Energy System (CERES) project, seeks to motivate students across the entire K-12 spectrum to learn science basics and how they tie in to a larger picture. Beginning early on, college level participants have also participated in the project, both in science classes and in science education coursework. The project uses the connection to an on-going NASA science investigation as a powerful motivator for student observations, analysis and learning, and has reached around the globe as shown in the world map. This poster will review the impact that Terra, through S’COOL, has made in formal education over the last decade. The MY NASA DATA Project began in 2004 under the NASA Research, Education and Applications Solutions Network (REASoN). A 5-year REASoN grant enabled the creation of an extensive website which wraps easily accessible Earth science data - including Terra parameters from CERES (involving MODIS data fusion), MISR, and MOPITT (an example for carbon monoxide is given in the graph, with dark areas indicating high CO levels) - with explanatory material written at the middle school level, and an extensive collection of peer-reviewed lesson plans. The MY NASA DATA site has a rapidly growing user-base and was recently adopted by a number of NASA Earth Science missions, in addition to Terra, as a formal education arm of their Education and Public Outreach efforts. This poster will summarize the contributions that Terra, through MY NASA DATA, has made to formal education since 2004.

  10. A Modular Formal Semantics for Ptolemy

    DTIC Science & Technology

    2011-01-01

    computation, both untimed and timed, to be composed hierarchically in an arbitrary fashion . This paper proposes a formal semantics for Ptolemy which is...0720882 ( CSR -EHS: PRET) and #0931843 (ActionWebs), the U. S. Army Research Office (ARO #W911NF-11-2-0038), the Air Force Research Lab (AFRL), the Multiscale...Finally, a number of component-oriented frameworks come from the fields of traditional pro- gramming and software engineering, e.g., object-oriented

  11. Formal Specification and Verification of Concurrent Programs

    DTIC Science & Technology

    1993-02-01

    AFFIRM d. Each Request Serviced 2. FDM e. Termination 3. Gypsy f. Total Correctness 4. HDM 3. Others 5. P- NUT * III. Formal Models 6. SARA 1...P- NUT are specified, any theorem prover that can handle e SARA axiomatic definitions can be ,.sed to carry out proofs * PAISLey of property...two operating systems, Kernelized The P- NUT environment contains a variety of tools, Secure Operating System (KSOS) JMcCauley79] and including

  12. Fourth NASA Langley Formal Methods Workshop

    NASA Technical Reports Server (NTRS)

    Holloway, C. Michael (Compiler); Hayhurst, Kelly J. (Compiler)

    1997-01-01

    This publication consists of papers presented at NASA Langley Research Center's fourth workshop on the application of formal methods to the design and verification of life-critical systems. Topic considered include: Proving properties of accident; modeling and validating SAFER in VDM-SL; requirement analysis of real-time control systems using PVS; a tabular language for system design; automated deductive verification of parallel systems. Also included is a fundamental hardware design in PVS.

  13. Investigation of formally zerovalent Triphos iron complexes.

    PubMed

    Mukhopadhyay, Tufan K; Feller, Russell K; Rein, Francisca N; Henson, Neil J; Smythe, Nathan C; Trovitch, Ryan J; Gordon, John C

    2012-09-07

    The reduction of Triphos [PhP(CH(2)CH(2)PPh(2))(2)] iron halide complexes has been explored, yielding formally zerovalent (κ(3)-Triphos)Fe(κ(2)-Triphos) and (κ(3)-Triphos)Fe(κ(2)-Bpy). Electrochemical analysis, coupled with the metrical parameters of (κ(3)-Triphos)Fe(κ(2)-Bpy), reveal an electronic structure consistent with a π-radical monoanion bipyridine chelate that is antiferromagnetically coupled to a low spin, Fe(I) metal center.

  14. Structure Based Formal Methods for Software Engineering

    DTIC Science & Technology

    1989-07-27

    9 3.4 The Initial PegaSys Prototype ....... ...................... 9 4 Related Research 11 References 12 Accession For NI T 1... PegaSys - that uses pictures as for- mal documentation. To our knowledge, PegaSys is the first system to manipu- late nontrivial design structures in...The Initial PegaSys Prototype PegaSys is a display-oriented, interactive environment that uses intuitive graphical pictures as formal documentation to

  15. Formal Synthesis of (±)-Platensimycin

    PubMed Central

    Zou, Yefen; Chen, Chun-Hsing; Taylor, Christopher D.; Foxman, Bruce M.; Snider, Barry B.

    2008-01-01

    Reductive alkylation of 5-methoxy-1-tetralone (6) with 2,3-dibromopropene gave an equilibrium mixture of bicyclic diones 7 (51%) and 8 (35%). Radical cyclization of 7 afforded tricyclic dione 5 (84%), which was reduced, cyclized and dehydrated to give tetracyclic alkene 13 in 63% yield. Allylic oxidation of 13 with SeO2 and activated MnO2 afforded enone 2 in 85% yield, thereby completing a short formal synthesis of (±)-platensimycin. PMID:17407302

  16. Toward a Formal Evaluation of Refactorings

    NASA Technical Reports Server (NTRS)

    Paul, John; Kuzmina, Nadya; Gamboa, Ruben; Caldwell, James

    2008-01-01

    Refactoring is a software development strategy that characteristically alters the syntactic structure of a program without changing its external behavior [2]. In this talk we present a methodology for extracting formal models from programs in order to evaluate how incremental refactorings affect the verifiability of their structural specifications. We envision that this same technique may be applicable to other types of properties such as those that concern the design and maintenance of safety-critical systems.

  17. Formalized Epistemology in a Philosophical Perspective

    NASA Astrophysics Data System (ADS)

    Barreau, Hervé

    The need for a formalized epistemology is recognized by all scholars who think that the relativity of all sciences must not be referred to a social relativism. In XXth century, Husserl was the protagonist of such an epistemic philosophy. But this philosophy was more successful in social and human sciences than in natural sciences. In this latter domain, quantum mechanics obeys the requirements of a Kantien perspective in a more precise sense that was the case with Newtonian mechanics.

  18. Workshop on Formal Models for Intelligent Control

    DTIC Science & Technology

    1994-04-01

    how and when to make these control law changes is the business of the sequential automaton. He went on to discuss a a uniform model of hybrid systems...computation complexity of simple questions concerning the behavior of such systems. Ramadge reviewed some of these models and results and speculated on...15 Reprenttlveysts A Formal Model for Heuristic Rules in DEDS 900 - 930 Yu Chi Ho What is Intelligent Control? Harvad University Shenke Sasy University

  19. Decidability of formal theories and hyperincursivity theory

    NASA Astrophysics Data System (ADS)

    Grappone, Arturo G.

    2000-05-01

    This paper shows the limits of the Proof Standard Theory (briefly, PST) and gives some ideas of how to build a proof anticipatory theory (briefly, PAT) that has no such limits. Also, this paper considers that Gödel's proof of the undecidability of Principia Mathematica formal theory is not valid for axiomatic theories that use a PAT to build their proofs because the (hyper)incursive functions are self-representable.

  20. Formal System Verification for Trustworthy Embedded Systems

    DTIC Science & Technology

    2011-04-19

    capable of leaking data between the two. A third untrusted component, the SAC controller, pro- vides a web interface to the control network on NIC-C...of large, massively complex embedded sys- tems. Our larger research vision is building provably secure systems on top of a formally verified...time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing the

  1. A thermodynamical formalism describing mechanical interactions

    NASA Astrophysics Data System (ADS)

    Andrade, R. F. S.; Souza, A. M. C.; Curado, E. M. F.; Nobre, F. D.

    2014-10-01

    The dynamical behavior of an overdamped mechanical model devoid of any usual thermal effects is analyzed by a formalism that is similar to usual thermodynamics, and completely independent of any ad hoc assumption of a probability distribution of states in phase space of the mechanical model. It leads to the definition of a new entropy function, which does not coincide with the usual thermodynamical entropy. The new step making the difference to previous studies of this system is the identification of two non-equivalent mechanical interaction mechanisms, which are defined and identified as work and pseudo-heat. Together with the introduced effective temperature θ, they make it possible to characterize the equivalent to isothermal, adiabatic, isobaric, and isochoric processes. Three statements, formally analogous to the zeroth, first, and second law of thermodynamics, are issued. The statement of the second law results from the asymmetry in the way energy can be exchanged along the two processes. A Carnot cycle is defined, for which the efficiency is expressed in terms of θ in the operating pseudo-heat reservoirs. The analogous Clausius theorem for the system operating an arbitrary reversible cycle is proved, leading to the new entropy function. Consequences of the extension of thermodynamic formalism to mechanical models with different processes of transferring energy are discussed.

  2. Formalizing Darwinism and inclusive fitness theory

    PubMed Central

    Grafen, Alan

    2009-01-01

    Inclusive fitness maximization is a basic building block for biological contributions to any theory of the evolution of society. There is a view in mathematical population genetics that nothing is caused to be maximized in the process of natural selection, but this is explained as arising from a misunderstanding about the meaning of fitness maximization. Current theoretical work on inclusive fitness is discussed, with emphasis on the author's ‘formal Darwinism project’. Generally, favourable conclusions are drawn about the validity of assuming fitness maximization, but the need for continuing work is emphasized, along with the possibility that substantive exceptions may be uncovered. The formal Darwinism project aims more ambitiously to represent in a formal mathematical framework the central point of Darwin's Origin of Species, that the mechanical processes of inheritance and reproduction can give rise to the appearance of design, and it is a fitting ambition in Darwin's bicentenary year to capture his most profound discovery in the lingua franca of science. PMID:19805422

  3. [How to write an article: formal aspects].

    PubMed

    Corral de la Calle, M A; Encinas de la Iglesia, J

    2013-06-01

    Scientific research and the publication of the results of the studies go hand in hand. Exquisite research methods can only be adequately reflected in formal publication with the optimum structure. To ensure the success of this process, it is necessary to follow orderly steps, including selecting the journal in which to publish and following the instructions to authors strictly as well as the guidelines elaborated by diverse societies of editors and other institutions. It is also necessary to structure the contents of the article in a logical and attractive way and to use an accurate, clear, and concise style of language. Although not all the authors are directly involved in the actual writing, elaborating a scientific article is a collective undertaking that does not finish until the article is published. This article provides practical advice about formal and not-so-formal details to take into account when writing a scientific article as well as references that will help readers find more information in greater detail.

  4. Extension of Liouville Formalism to Postinstability Dynamics

    NASA Technical Reports Server (NTRS)

    Zak, Michail

    2003-01-01

    A mathematical formalism has been developed for predicting the postinstability motions of a dynamic system governed by a system of nonlinear equations and subject to initial conditions. Previously, there was no general method for prediction and mathematical modeling of postinstability behaviors (e.g., chaos and turbulence) in such a system. The formalism of nonlinear dynamics does not afford means to discriminate between stable and unstable motions: an additional stability analysis is necessary for such discrimination. However, an additional stability analysis does not suggest any modifications of a mathematical model that would enable the model to describe postinstability motions efficiently. The most important type of instability that necessitates a postinstability description is associated with positive Lyapunov exponents. Such an instability leads to exponential growth of small errors in initial conditions or, equivalently, exponential divergence of neighboring trajectories. The development of the present formalism was undertaken in an effort to remove positive Lyapunov exponents. The means chosen to accomplish this is coupling of the governing dynamical equations with the corresponding Liouville equation that describes the evolution of the flow of error probability. The underlying idea is to suppress the divergences of different trajectories that correspond to different initial conditions, without affecting a target trajectory, which is one that starts with prescribed initial conditions.

  5. Connecting different TMD factorization formalisms in QCD

    DOE PAGES

    Collins, John; Rogers, Ted C.

    2017-09-11

    In the original Collins-Soper-Sterman (CSS) presentation of the results of transverse-momentum-dependent (TMD) factorization for the Drell-Yan process, results for perturbative coefficients can be obtained from calculations for collinear factorization. Here we show how to use these results, plus known results for the quark form factor, to obtain coefficients for TMD factorization in more recent formulations, e.g., that due to Collins, and apply them to known results at ordermore » $$\\alpha_s^2$$ and $$\\alpha_s^3$$. We also show that the ``non-perturbative'' functions as obtained from fits to data are equal in the two schemes. We compile the higher-order perturbative inputs needed for the updated CSS scheme by appealing to results obtained in a variety of different formalisms. In addition, we derive the connection between both versions of the CSS formalism and several formalisms based in soft-collinear effective theory (SCET). As a result, our work uses some important new results for factorization for the quark form factor, which we derive.« less

  6. Mapping global environmental suitability for Zika virus

    PubMed Central

    Messina, Jane P; Kraemer, Moritz UG; Brady, Oliver J; Pigott, David M; Shearer, Freya M; Weiss, Daniel J; Golding, Nick; Ruktanonchai, Corrine W; Gething, Peter W; Cohn, Emily; Brownstein, John S; Khan, Kamran; Tatem, Andrew J; Jaenisch, Thomas; Murray, Christopher JL; Marinho, Fatima; Scott, Thomas W; Hay, Simon I

    2016-01-01

    Zika virus was discovered in Uganda in 1947 and is transmitted by Aedes mosquitoes, which also act as vectors for dengue and chikungunya viruses throughout much of the tropical world. In 2007, an outbreak in the Federated States of Micronesia sparked public health concern. In 2013, the virus began to spread across other parts of Oceania and in 2015, a large outbreak in Latin America began in Brazil. Possible associations with microcephaly and Guillain-Barré syndrome observed in this outbreak have raised concerns about continued global spread of Zika virus, prompting its declaration as a Public Health Emergency of International Concern by the World Health Organization. We conducted species distribution modelling to map environmental suitability for Zika. We show a large portion of tropical and sub-tropical regions globally have suitable environmental conditions with over 2.17 billion people inhabiting these areas. DOI: http://dx.doi.org/10.7554/eLife.15272.001 PMID:27090089

  7. Mapping global environmental suitability for Zika virus.

    PubMed

    Messina, Jane P; Kraemer, Moritz Ug; Brady, Oliver J; Pigott, David M; Shearer, Freya M; Weiss, Daniel J; Golding, Nick; Ruktanonchai, Corrine W; Gething, Peter W; Cohn, Emily; Brownstein, John S; Khan, Kamran; Tatem, Andrew J; Jaenisch, Thomas; Murray, Christopher Jl; Marinho, Fatima; Scott, Thomas W; Hay, Simon I

    2016-04-19

    Zika virus was discovered in Uganda in 1947 and is transmitted by Aedes mosquitoes, which also act as vectors for dengue and chikungunya viruses throughout much of the tropical world. In 2007, an outbreak in the Federated States of Micronesia sparked public health concern. In 2013, the virus began to spread across other parts of Oceania and in 2015, a large outbreak in Latin America began in Brazil. Possible associations with microcephaly and Guillain-Barré syndrome observed in this outbreak have raised concerns about continued global spread of Zika virus, prompting its declaration as a Public Health Emergency of International Concern by the World Health Organization. We conducted species distribution modelling to map environmental suitability for Zika. We show a large portion of tropical and sub-tropical regions globally have suitable environmental conditions with over 2.17 billion people inhabiting these areas.

  8. Habitat Suitability Index Models: Snapping turtle

    USGS Publications Warehouse

    Graves, Brent M.; Anderson, Stanley H.

    1987-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the snapping turtle (Chelydra serpentina). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) and 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  9. Habitat Suitability Index Models: Belted kingfisher

    USGS Publications Warehouse

    Prose, Bart L.

    1985-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the belted kingfisher (Ceryle alcyon). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  10. Habitat Suitability Index Models: Gray squirrel

    USGS Publications Warehouse

    Allen, Arthur W.

    1987-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the gray squirrel (Sciurus carolinensis). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) and 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by U.S. Fish and Wildlife Service.

  11. Habitat Suitability Index Models: Slider turtle

    USGS Publications Warehouse

    Morreale, Stephen J.; Gibbons, J. Whitfield

    1986-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the slider turtle (Pseudemys scripta). The model consolidates habitat use information into a framework appropriate for field application and is scaled to produce an index between 0.0 (unsuitable habitat) and 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  12. Habitat Suitability Index Models: Hairy woodpecker

    USGS Publications Warehouse

    Sousa, Patrick J.

    1987-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the hairy woodpecker (Picoides villosus). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  13. Habitat Suitability Index Models: Brown thrasher

    USGS Publications Warehouse

    Cade, Brian S.

    1986-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the brown thrasher (Toxostoma rufum). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  14. Habitat Suitability Index Models: Swamp rabbit

    USGS Publications Warehouse

    Allen, Arthur W.

    1985-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the swamp rabbit (Sylvilagus aquaticus). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  15. Habitat Suitability Index Models: Pine warbler

    USGS Publications Warehouse

    Schroeder, Richard L.

    1982-01-01

    Habitat preferences of the pine warbler (Dendroica pinus) are described in this publication, which is one of a series of Habitat Suitability Index (HSI) models. Habitat use information is presented in a synthesis of the literature on the species-habitat requirements of the pine warbler, followed by the development of the HSI model. The model is presented in three formats: graphic, word, and mathematical, and is designed to provide information for use in impact assessment and habitat management activities.

  16. Habitat Suitability Index Models: Eastern meadowlark

    USGS Publications Warehouse

    Schroeder, Richard L.; Sousa, Patrick J.

    1982-01-01

    Habitat preferences of the eastern meadowlark (Sturnella magna) are described in this publication, which is one of a series of Habitat Suitability Index (HSI) models. Habitat use information is presented in a synthesis of the literature on the species-habitat requirements of the eastern meadowlark, followed by the development of the HSI model. The model is presented in three formats: graphic, word, and mathematical, and is designed to provide information for use in impact assessment and habitat management activities.

  17. Habitat Suitability Index Models: Cactus wren

    USGS Publications Warehouse

    Short, Henry L.

    1985-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the cactus wren (Campylorhynchus brunneicapillus). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  18. Habitat Suitability Index Models: Spotted owl

    USGS Publications Warehouse

    Laymon, Stephen A.; Salwasser, Hal; Barrett, Reginald H.

    1985-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the spotted owl (Strix occidentalis). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  19. Transducer Arrays Suitable for Acoustic Imaging

    DTIC Science & Technology

    1978-06-01

    OF THIS PGOt (When Deta Entter*0 UNCLASSIFIED SECURITY CLASSIFICATION OF THIS PAGE (When Dae Bntered) Design techniques based on the the transmission...mono- lithic array radiating into metal is demonstrated. UNCLASSIFIED SECURITY CLASSIFICATION OF THIS PAGE’Whou Dato Entered) TRPSSDUCER ARRAYS SUITABLE...attention is placed on achieving high transduction efficiency and angular beam- widths of at least ±15°• T. Design techniques based on the transmission line

  20. Habitat Suitability Index Models: Snowshoe hare

    USGS Publications Warehouse

    Carreker, Raymond G.

    1985-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the Snowshoe hare (Lepus americanus). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  1. Global habitat suitability models of terrestrial mammals.

    PubMed

    Rondinini, Carlo; Di Marco, Moreno; Chiozza, Federica; Santulli, Giulia; Baisero, Daniele; Visconti, Piero; Hoffmann, Michael; Schipper, Jan; Stuart, Simon N; Tognelli, Marcelo F; Amori, Giovanni; Falcucci, Alessandra; Maiorano, Luigi; Boitani, Luigi

    2011-09-27

    Detailed large-scale information on mammal distribution has often been lacking, hindering conservation efforts. We used the information from the 2009 IUCN Red List of Threatened Species as a baseline for developing habitat suitability models for 5027 out of 5330 known terrestrial mammal species, based on their habitat relationships. We focused on the following environmental variables: land cover, elevation and hydrological features. Models were developed at 300 m resolution and limited to within species' known geographical ranges. A subset of the models was validated using points of known species occurrence. We conducted a global, fine-scale analysis of patterns of species richness. The richness of mammal species estimated by the overlap of their suitable habitat is on average one-third less than that estimated by the overlap of their geographical ranges. The highest absolute difference is found in tropical and subtropical regions in South America, Africa and Southeast Asia that are not covered by dense forest. The proportion of suitable habitat within mammal geographical ranges correlates with the IUCN Red List category to which they have been assigned, decreasing monotonically from Least Concern to Endangered. These results demonstrate the importance of fine-resolution distribution data for the development of global conservation strategies for mammals.

  2. Global habitat suitability models of terrestrial mammals

    PubMed Central

    Rondinini, Carlo; Di Marco, Moreno; Chiozza, Federica; Santulli, Giulia; Baisero, Daniele; Visconti, Piero; Hoffmann, Michael; Schipper, Jan; Stuart, Simon N.; Tognelli, Marcelo F.; Amori, Giovanni; Falcucci, Alessandra; Maiorano, Luigi; Boitani, Luigi

    2011-01-01

    Detailed large-scale information on mammal distribution has often been lacking, hindering conservation efforts. We used the information from the 2009 IUCN Red List of Threatened Species as a baseline for developing habitat suitability models for 5027 out of 5330 known terrestrial mammal species, based on their habitat relationships. We focused on the following environmental variables: land cover, elevation and hydrological features. Models were developed at 300 m resolution and limited to within species' known geographical ranges. A subset of the models was validated using points of known species occurrence. We conducted a global, fine-scale analysis of patterns of species richness. The richness of mammal species estimated by the overlap of their suitable habitat is on average one-third less than that estimated by the overlap of their geographical ranges. The highest absolute difference is found in tropical and subtropical regions in South America, Africa and Southeast Asia that are not covered by dense forest. The proportion of suitable habitat within mammal geographical ranges correlates with the IUCN Red List category to which they have been assigned, decreasing monotonically from Least Concern to Endangered. These results demonstrate the importance of fine-resolution distribution data for the development of global conservation strategies for mammals. PMID:21844042

  3. Niche Suitability Affects Development: Skull Asymmetry Increases in Less Suitable Areas

    PubMed Central

    Maestri, Renan; Fornel, Rodrigo; Galiano, Daniel; de Freitas, Thales R. O.

    2015-01-01

    For conservation purposes, it is important to take into account the suitability of a species to particular habitats; this information may predict the long-term survival of a species. In this sense, morphological measures of developmental stress, such as fluctuating asymmetry, can be proxies for an individual’s performance in different regions. In this study, we conducted tests to determine whether areas with different levels of suitability for a species (generated by ecological niche models) were congruent with morphological markers that reflect environmental stress and morphological variance. We generated a Maxent niche model and compared the suitability assessments of several areas with the skull morphology data (fluctuating asymmetry and morphological disparity) of populations of the Atlantic forest endemic to Brazil rodent Akodon cursor. Our analyses showed a significant negative relationship between suitability levels and fluctuating asymmetry levels, which indicates that in less suitable areas, the individuals experience numerous disturbances during skull ontogeny. We have not found an association between morphological variance and environmental suitability. As expected, these results suggest that in environments with a lower suitability, developmental stress is increased. Such information is helpful in the understanding of the species evolution and in the selection of priority areas for the conservation of species. PMID:25874364

  4. Application of the projection operator formalism to non-hamiltonian dynamics.

    PubMed

    Xing, Jianhua; Kim, K S

    2011-01-28

    Reconstruction of equations of motion from incomplete or noisy data and dimension reduction are two fundamental problems in the study of dynamical systems with many degrees of freedom. For the latter, extensive efforts have been made, but with limited success, to generalize the Zwanzig-Mori projection formalism, originally developed for hamiltonian systems close to thermodynamic equilibrium, to general non-hamiltonian systems lacking detailed balance. One difficulty introduced by such systems is the lack of an invariant measure, needed to define a statistical distribution. Based on a recent discovery that a non-hamiltonian system defined by a set of stochastic differential equations can be mapped to a hamiltonian system, we develop such general projection formalism. In the resulting generalized Langevin equations, a set of generalized fluctuation-dissipation relations connect the memory kernel and the random noise terms, analogous to hamiltonian systems obeying detailed balance. Lacking of these relations restricts previous application of the generalized Langevin formalism. Result of this work may serve as the theoretical basis for further technical developments on model reconstruction with reduced degrees of freedom. We first use an analytically solvable example to illustrate the formalism and the fluctuation-dissipation relation. Our numerical test on a chemical network with end-product inhibition further demonstrates the validity of the formalism. We suggest that the formalism can find wide applications in scientific modeling. Specifically, we discuss potential applications to biological networks. In particular, the method provides a suitable framework for gaining insights into network properties such as robustness and parameter transferability.

  5. Application of the projection operator formalism to non-Hamiltonian dynamics

    NASA Astrophysics Data System (ADS)

    Xing, Jianhua; Kim, K. S.

    2011-01-01

    Reconstruction of equations of motion from incomplete or noisy data and dimension reduction are two fundamental problems in the study of dynamical systems with many degrees of freedom. For the latter, extensive efforts have been made, but with limited success, to generalize the Zwanzig-Mori projection formalism, originally developed for Hamiltonian systems close to thermodynamic equilibrium, to general non-Hamiltonian systems lacking detailed balance. One difficulty introduced by such systems is the lack of an invariant measure, needed to define a statistical distribution. Based on a recent discovery that a non-Hamiltonian system defined by a set of stochastic differential equations can be mapped to a Hamiltonian system, we develop such general projection formalism. In the resulting generalized Langevin equations, a set of generalized fluctuation-dissipation relations connect the memory kernel and the random noise terms, analogous to Hamiltonian systems obeying detailed balance. Lacking of these relations restricts previous application of the generalized Langevin formalism. Result of this work may serve as the theoretical basis for further technical developments on model reconstruction with reduced degrees of freedom. We first use an analytically solvable example to illustrate the formalism and the fluctuation-dissipation relation. Our numerical test on a chemical network with end-product inhibition further demonstrates the validity of the formalism. We suggest that the formalism can find wide applications in scientific modeling. Specifically, we discuss potential applications to biological networks. In particular, the method provides a suitable framework for gaining insights into network properties such as robustness and parameter transferability.

  6. Formal Assurance Arguments: A Solution In Search of a Problem?

    NASA Technical Reports Server (NTRS)

    Graydon, Patrick J.

    2015-01-01

    An assurance case comprises evidence and argument showing how that evidence supports assurance claims (e.g., about safety or security). It is unsurprising that some computer scientists have proposed formalizing assurance arguments: most associate formality with rigor. But while engineers can sometimes prove that source code refines a formal specification, it is not clear that formalization will improve assurance arguments or that this benefit is worth its cost. For example, formalization might reduce the benefits of argumentation by limiting the audience to people who can read formal logic. In this paper, we present (1) a systematic survey of the literature surrounding formal assurance arguments, (2) an analysis of errors that formalism can help to eliminate, (3) a discussion of existing evidence, and (4) suggestions for experimental work to definitively answer the question.

  7. 10 CFR 963.14 - Preclosure suitability criteria.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 4 2013-01-01 2013-01-01 false Preclosure suitability criteria. 963.14 Section 963.14 Energy DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.14 Preclosure suitability criteria. DOE will evaluate preclosure suitability...

  8. 10 CFR 963.14 - Preclosure suitability criteria.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Preclosure suitability criteria. 963.14 Section 963.14 Energy DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.14 Preclosure suitability criteria. DOE will evaluate preclosure suitability...

  9. 10 CFR 963.14 - Preclosure suitability criteria.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 4 2012-01-01 2012-01-01 false Preclosure suitability criteria. 963.14 Section 963.14 Energy DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.14 Preclosure suitability criteria. DOE will evaluate preclosure suitability...

  10. 10 CFR 963.14 - Preclosure suitability criteria.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 4 2014-01-01 2014-01-01 false Preclosure suitability criteria. 963.14 Section 963.14 Energy DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.14 Preclosure suitability criteria. DOE will evaluate preclosure suitability...

  11. 10 CFR 963.17 - Postclosure suitability criteria.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Energy DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination... suitability of a geologic repository at the Yucca Mountain site through suitability criteria that reflect both... agricultural products. (b) DOE will evaluate the postclosure suitability of the Yucca Mountain disposal system...

  12. 10 CFR 963.17 - Postclosure suitability criteria.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Energy DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination... suitability of a geologic repository at the Yucca Mountain site through suitability criteria that reflect both... agricultural products. (b) DOE will evaluate the postclosure suitability of the Yucca Mountain disposal system...

  13. 10 CFR 963.14 - Preclosure suitability criteria.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Preclosure suitability criteria. 963.14 Section 963.14 Energy DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability Determination, Methods, and Criteria § 963.14 Preclosure suitability criteria. DOE will evaluate preclosure suitability...

  14. Surface-integral formalism of deuteron stripping

    NASA Astrophysics Data System (ADS)

    Mukhamedzhanov, A. M.; Pang, D. Y.; Bertulani, C. A.; Kadyrov, A. S.

    2014-09-01

    The purpose of this paper is to develop an alternative theory of deuteron stripping to resonance states based on the surface-integral formalism of Kadyrov et al. [Ann. Phys. 324, 1516 (2009), 10.1016/j.aop.2009.02.003] and continuum-discretized coupled channels (CDCC). First we demonstrate how the surface-integral formalism works in the three-body model and then we consider a more realistic problem in which a composite structure of target nuclei is taken via optical potentials. We explore different choices of channel wave functions and transition operators and show that a conventional CDCC volume matrix element can be written in terms of a surface-integral matrix element, which is peripheral, and an auxiliary matrix element, which determines the contribution of the nuclear interior over the variable rnA. This auxiliary matrix element appears because of the inconsistency in treating of the n-A potential: This potential should be real in the final state to support bound states or resonance scattering and complex in the initial state to describe n-A scattering. Our main result is formulation of the theory of the stripping to resonance states using the prior form of the surface-integral formalism and CDCC method. It is demonstrated that the conventional CDCC volume matrix element coincides with the surface matrix element, which converges for the stripping to the resonance state. Also the surface representation (over the variable rnA) of the stripping matrix element enhances the peripheral part of the amplitude although the internal contribution does not disappear and increases with an increase of the deuteron energy. We present calculations corroborating our findings for both stripping to the bound state and the resonance.

  15. Representations of spacetime: Formalism and ontological commitment

    NASA Astrophysics Data System (ADS)

    Bain, Jonathan Stanley

    This dissertation consists of two parts. The first is on the relation between formalism and ontological commitment in the context of theories of spacetime, and the second is on scientific realism. The first part begins with a look at how the substantivalist/relationist debate over the ontological status of spacetime has been influenced by a particular mathematical formalism, that of tensor analysis on differential manifolds (TADM). This formalism has motivated the substantivalist position known as manifold substantivalism. Chapter 1 focuses on the hole argument which maintains that manifold substantivalism is incompatible with determinism. I claim that the realist motivations underlying manifold substantivalism can be upheld, and the hole argument avoided, by adopting structural realism with respect to spacetime. In this context, this is the claim that it is the structure that spacetime points enter into that warrants belief and not the points themselves. In Chapter 2, an elimination principle is defined by means of which a distinction can be made between surplus structure and essential structure with respect to formulations of a theory in two distinct mathematical formulations and some prior ontological commitments. This principle is then used to demonstrate that manifold points may be considered surplus structure in the formulation of field theories. This suggests that, if we are disposed to read field theories literally, then, at most, it should be the essential structure common to all alternative formulations of such theories that should be taken literally. I also investigate how the adoption of alternative formalisms informs other issues in the philosophy of spacetime. Chapter 3 offers a realist position which takes a semantic moral from the preceding investigation and an epistemic moral from work done on reliability. The semantic moral advises us to read only the essential structure of our theories literally. The epistemic moral shows us that such structure

  16. Formal Verification of Large Software Systems

    NASA Technical Reports Server (NTRS)

    Yin, Xiang; Knight, John

    2010-01-01

    We introduce a scalable proof structure to facilitate formal verification of large software systems. In our approach, we mechanically synthesize an abstract specification from the software implementation, match its static operational structure to that of the original specification, and organize the proof as the conjunction of a series of lemmas about the specification structure. By setting up a different lemma for each distinct element and proving each lemma independently, we obtain the important benefit that the proof scales easily for large systems. We present details of the approach and an illustration of its application on a challenge problem from the security domain

  17. Formal Aspects of Human-Automation Interaction

    NASA Technical Reports Server (NTRS)

    Degani, Asaf; Heymann, Michael; Moodi, Michael; Remington, Roger (Technical Monitor)

    1998-01-01

    While new versions of automated control systems such as flight guidance systems are introduced at a rapid pace, it is widely recognized that user interaction with these machines is increasingly problematic. One cause for this difficulty that is commonly cited in the literature, is the discrepancy between the machine's behavior and the operator's (e.g., pilot) expectations. This paper discusses a formal approach to the analysis of operator's interaction with complex automated control systems. We focus attention on the issue of interface correctness; that is, on the question whether the display provides adequate information about the machine's configurations (states, modes, and associated parameters) and transitions, so as to enable the operator to successfully perform the specified set of tasks. To perform the analysis several assumptions are made: (1) A complete formal model of the machine's behavior is available (e.g., as a state transition system, or as a hybrid-machine); (2) A specification of operator's tasks is available and can be formally described (e.g., the reliable and predictable transition between activities involved in executing a climb to a new altitude); (3) The pilot is well trained and has a correct 'mental' model of the machine's response-map. By 'comparing' the machine's model with the set of operator's tasks we formally (i.e., mathematically) evaluate two questions: 1) does the machine's output interface (display) enable the operator to determine, unambiguously, what the current configuration (e.g., mode) of the machine is, and 2) does the display enable the operator to determine, unambiguously, what the next configuration of the machine will be, in response to a specified interaction by the operator (e.g., engaging a mode or changing a parameter such as a speed or target altitude). This paper describes a methodology for conducting such an evaluation using examples from automated flight control systems of modem 'glass cockpit' jetliners

  18. Towards a Formalization of Digital Forensics

    NASA Astrophysics Data System (ADS)

    Slay, Jill; Lin, Yi-Chi; Turnbull, Benjamin; Beckett, Jason; Lin, Paul

    While some individuals have referred to digital forensics as an art, the literature of the discipline suggests a trend toward the formalization of digital forensics as a forensic science. Questions about the quality of digital evidence and forensic soundness continue to be raised by researchers and practitioners in order to ensure the trustworthiness of digital evidence and its value to the courts. This paper reviews the development of digital forensic models, procedures and standards to lay a foundation for the discipline. It also points to new work that provides validation models through a complete mapping of the discipline.

  19. BRST and the pure spinor formalism

    SciTech Connect

    Garcia, J. Antonio

    2008-03-06

    The aim of this talk is to show the relation between the standard BRST approach of the GS superstring with the quantization technics used in the pure spinor approach to superstring. To that end we will use the Batalin-Fradkin-Tyutin (BFT) conversion program of second class constraints to first class constraints in the GS superstring using light cone coordinates. By applying this systematic procedure we were able to obtain a gauge system that is equivalent to the recent model proposed in [1] to relate the GS superstring to the pure spinor formalism.

  20. Formal analysis of ORM using OWL DL

    NASA Astrophysics Data System (ADS)

    Pan, Wen-lin; Liu, Da-xin

    2012-01-01

    ORM (Object Role Modeling), current version is 2.0, is a fully communication oriented information modeling method. Currently, ORM has been used in ontology engineering to model domain ontologies. To ensure the semantics of ORM model is consistent, it needs using reasoning engines to check semantic conflicts and redundancy. Furthermore, only publish ORM domain ontologies on the Semantic Web described by OWL can it is shared by different applications. Therefore, it needs to map ORM models into OWL DL. Several methods to transform ORM models have been considered and a series of general OWL DL formalization rules have been proposed.

  1. Formal analysis of ORM using OWL DL

    NASA Astrophysics Data System (ADS)

    Pan, Wen-Lin; Liu, Da-Xin

    2011-12-01

    ORM (Object Role Modeling), current version is 2.0, is a fully communication oriented information modeling method. Currently, ORM has been used in ontology engineering to model domain ontologies. To ensure the semantics of ORM model is consistent, it needs using reasoning engines to check semantic conflicts and redundancy. Furthermore, only publish ORM domain ontologies on the Semantic Web described by OWL can it is shared by different applications. Therefore, it needs to map ORM models into OWL DL. Several methods to transform ORM models have been considered and a series of general OWL DL formalization rules have been proposed.

  2. Formal specification and verification of Ada software

    NASA Technical Reports Server (NTRS)

    Hird, Geoffrey R.

    1991-01-01

    The use of formal methods in software development achieves levels of quality assurance unobtainable by other means. The Larch approach to specification is described, and the specification of avionics software designed to implement the logic of a flight control system is given as an example. Penelope is described which is an Ada-verification environment. The Penelope user inputs mathematical definitions, Larch-style specifications and Ada code and performs machine-assisted proofs that the code obeys its specifications. As an example, the verification of a binary search function is considered. Emphasis is given to techniques assisting the reuse of a verification effort on modified code.

  3. Canonical formalism for coupled beam optics

    SciTech Connect

    Kheifets, S.A.

    1989-09-01

    Beam optics of a lattice with an inter-plane coupling is treated using canonical Hamiltonian formalism. The method developed is equally applicable both to a circular (periodic) machine and to an open transport line. A solution of the equation of a particle motion (and correspondingly transfer matrix between two arbitrary points of the lattice) are described in terms of two amplitude functions (and their derivatives and corresponding phases of oscillations) and four coupling functions, defined by a solution of the system of the first-order nonlinear differential equations derived in the paper. Thus total number of independent parameters is equal to ten. 8 refs.

  4. Prerequisites to Deriving Formal Specifications from Natural Language Requirements.

    DTIC Science & Technology

    1981-10-01

    Special 19. KEY WORDS (Continue on reverse side Ii nocessary and Identify by block number) formal specifications, English specifications, modules, software... English specifications and formal specifications of modules are complementary and since formal specifications require so much effort to write, our...involved four areas of work. The firtt is,A\\ comparing English descriptions with formal specifications of the same software module. This work is now complete

  5. "Passing It On": Beyond Formal or Informal Pedagogies

    ERIC Educational Resources Information Center

    Cain, Tim

    2013-01-01

    Informal pedagogies are a subject of debate in music education, and there is some evidence of teachers abandoning formal pedagogies in favour of informal ones. This article presents a case of one teacher's formal pedagogy and theorises it by comparing it with a case of informal pedagogy. The comparison reveals affordances of formal pedagogies…

  6. How External Institutions Penetrate Schools through Formal and Informal Leaders

    ERIC Educational Resources Information Center

    Sun, Min; Frank, Kenneth A.; Penuel, William R.; Kim, Chong Min

    2013-01-01

    Purposes: This study investigates the role of formal and informal leaders in the diffusion of external reforms into schools and to teachers' practices. Formal leaders are designated by their roles in the formal organization of the school (e.g., principals, department chairs, and instructional coaches) and informal leaders refer to those who do not…

  7. 20 CFR 702.336 - Formal hearings; new issues.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 20 Employees' Benefits 4 2014-04-01 2014-04-01 false Formal hearings; new issues. 702.336 Section... Adjudication Procedures Formal Hearings § 702.336 Formal hearings; new issues. (a) If, during the course of the... considered, the hearing may be expanded to include the new issue. If in the opinion of the administrative law...

  8. Toward the Identification of Styles of Formal Reasoning.

    ERIC Educational Resources Information Center

    Frey, Susan; Bart, William M.

    A method of examining individual variation in responses to Inhelder-Piaget formal reasoning tasks is proposed as a means of identifying cognitive style components of formal reason and as a means of generating more complete descriptions of observable manifestations of formal reasoning. The method is one used by human ethologists and consists of…

  9. 20 CFR 702.336 - Formal hearings; new issues.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 20 Employees' Benefits 3 2011-04-01 2011-04-01 false Formal hearings; new issues. 702.336 Section... Adjudication Procedures Formal Hearings § 702.336 Formal hearings; new issues. (a) If, during the course of the... considered, the hearing may be expanded to include the new issue. If in the opinion of the administrative...

  10. 40 CFR 35.938-4 - Formal advertising.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 1 2014-07-01 2014-07-01 false Formal advertising. 35.938-4 Section 35... advertising. Each contract shall be awarded after formal advertising, unless negotiation is permitted in accordance with § 35.936-18. Formal advertising shall be in accordance with the following: (a)...

  11. 40 CFR 35.938-4 - Formal advertising.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 1 2012-07-01 2012-07-01 false Formal advertising. 35.938-4 Section 35... advertising. Each contract shall be awarded after formal advertising, unless negotiation is permitted in accordance with § 35.936-18. Formal advertising shall be in accordance with the following: (a)...

  12. 40 CFR 35.938-4 - Formal advertising.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 1 2013-07-01 2013-07-01 false Formal advertising. 35.938-4 Section 35... advertising. Each contract shall be awarded after formal advertising, unless negotiation is permitted in accordance with § 35.936-18. Formal advertising shall be in accordance with the following: (a)...

  13. 40 CFR 35.938-4 - Formal advertising.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 1 2011-07-01 2011-07-01 false Formal advertising. 35.938-4 Section 35... advertising. Each contract shall be awarded after formal advertising, unless negotiation is permitted in accordance with § 35.936-18. Formal advertising shall be in accordance with the following: (a)...

  14. 40 CFR 35.938-4 - Formal advertising.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Formal advertising. 35.938-4 Section 35... advertising. Each contract shall be awarded after formal advertising, unless negotiation is permitted in accordance with § 35.936-18. Formal advertising shall be in accordance with the following: (a)...

  15. "Passing It On": Beyond Formal or Informal Pedagogies

    ERIC Educational Resources Information Center

    Cain, Tim

    2013-01-01

    Informal pedagogies are a subject of debate in music education, and there is some evidence of teachers abandoning formal pedagogies in favour of informal ones. This article presents a case of one teacher's formal pedagogy and theorises it by comparing it with a case of informal pedagogy. The comparison reveals affordances of formal pedagogies…

  16. How External Institutions Penetrate Schools through Formal and Informal Leaders

    ERIC Educational Resources Information Center

    Sun, Min; Frank, Kenneth A.; Penuel, William R.; Kim, Chong Min

    2013-01-01

    Purposes: This study investigates the role of formal and informal leaders in the diffusion of external reforms into schools and to teachers' practices. Formal leaders are designated by their roles in the formal organization of the school (e.g., principals, department chairs, and instructional coaches) and informal leaders refer to those who do not…

  17. Truncated horseshoes and formal languages in chaotic scattering.

    PubMed

    Troll, G.

    1993-10-01

    In this paper we study parameter families of truncated horseshoes as models of multiscattering systems which show a transition to chaos without losing hyperbolicity, so that the topological features of the transition are completely describable by a parametrized family of symbolic dynamics. At a fixed parameter value the corresponding horseshoe represents the set of orbits trapped in the scattering region. The bifurcations are a pure boundary effect and no other bifurcations such as saddle center bifurcations occur in this transition scenario. Truncated horseshoes actually arise in concrete potential scattering under suitable conditions. It is shown that a simple scattering model introduced earlier can realize this scenario in a certain parameter range (the "truncated sawshoe"). For this purpose, we solve the inverse scattering problem of finding the central potential associated to the sawshoe model. Furthermore, we review classification schemes for the transition to chaos of truncated horseshoes originating from symbolic dynamics and formal language theory and apply them to the truncated double horseshoe and the truncated sawshoe.

  18. Detecting Mode Confusion Through Formal Modeling and Analysis

    NASA Technical Reports Server (NTRS)

    Miller, Steven P.; Potts, James N.

    1999-01-01

    Aircraft safety has improved steadily over the last few decades. While much of this improvement can be attributed to the introduction of advanced automation in the cockpit, the growing complexity of these systems also increases the potential for the pilots to become confused about what the automation is doing. This phenomenon, often referred to as mode confusion, has been involved in several accidents involving modern aircraft. This report describes an effort by Rockwell Collins and NASA Langley to identify potential sources of mode confusion through two complementary strategies. The first is to create a clear, executable model of the automation, connect it to a simulation of the flight deck, and use this combination to review of the behavior of the automation and the man-machine interface with the designers, pilots, and experts in human factors. The second strategy is to conduct mathematical analyses of the model by translating it into a formal specification suitable for analysis with automated tools. The approach is illustrated by applying it to a hypothetical, but still realistic, example of the mode logic of a Flight Guidance System.

  19. Habitat Suitability Index Models and Instream Flow Suitability Curves: Chum salmon

    USGS Publications Warehouse

    Hale, Stephen S.; McMahon, Thomas E.; Nelson, Patrick C.

    1985-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model and instream flow suitability curves for the chum salmon (Oncorhynchus keta). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  20. Habitat Suitability Index Models and Instream Flow Suitability Curves: Inland stocks of striped bass

    USGS Publications Warehouse

    Crance, Johnie H.

    1984-01-01

    The Habitat Suitability Index (HSI) models and instream flow Suitability Index (SI) presented in this publication aid in identifying important variables that determine the quality of striped bass habitat. Facts, ideas, and opinions obtained from published and unpublished reports, a Delphi panel of 18 striped bass experts/authorities, and the Striped Bass Committee, Southern Division, American Fisheries Society, are synthesized and presented in a format that can be used for habitat impact assessment and development of management alternatives.

  1. Habitat Suitability Index Models and Instream Flow Suitability Curves: Pink salmon

    USGS Publications Warehouse

    Raleigh, Robert F.; Nelson, Patrick C.

    1985-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model and instream flow suitability curves for the pink salmon (Oncorhynchus gorbuscha). The model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) to 1.0 (optimum habitat). HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  2. Spatial Experiment Technologies Suitable for Unreturnable Bioreactor

    NASA Astrophysics Data System (ADS)

    Zhang, Tao; Zheng, Weibo; Tong, Guanghui

    2016-07-01

    The system composition and main function of the bioreactor piggybacked on TZ cargo transport spacecraft are introduced briefly in the paper.The spatial experiment technologies which are suitable for unreturnable bioreactor are described in detail,including multi-channel liquid transportion and management,multi-type animal cells circuit testing,dynamic targets microscopic observation in situ etc..The feasibility and effectiveness of these technologies which will be used in space experiment in bioreactor are verified in tests and experiments on the ground.

  3. Habitat Suitability Index Models: American alligator

    USGS Publications Warehouse

    Newsom, John D.; Joanen, Ted; Howard, Rebecca J.

    1987-01-01

    A review and synthesis of existing information were used to develop a model for evaluating American alligator habitat quality. The model is applicable in marshes along the northern Gulf of Mexico. It is scaled to produce an index between 0 (unsuitable habitat) and 1.0 (optimal habitat). Habitat suitability index models are designed for use with the Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service. Guidelines for model application and techniques for measuring model variables are described.

  4. Habitat Suitability Index Models: Red king crab

    USGS Publications Warehouse

    Jewett, Stephen C.; Onuf, Christopher P.

    1988-01-01

    A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for evaluating habitat of different life stages of red king crab (Paralithodes camtschatica). A model consolidates habitat use information into a framework appropriate for field application, and is scaled to produce an index between 0.0 (unsuitable habitat) and 1.0 (optimum habitat) in Alaskan coastal waters, especially in the Gulf of Alaska and the southeastern Bering Sea. HSI models are designed to be used with Habitat Evaluation Procedures previously developed by the U.S. Fish and Wildlife Service.

  5. Functional Constructivism: In Search of Formal Descriptors.

    PubMed

    Trofimova, Irina

    2017-10-01

    The Functional Constructivism (FC) paradigm is an alternative to behaviorism and considers behavior as being generated every time anew, based on an individual's capacities, environmental resources and demands. Walter Freeman's work provided us with evidence supporting the FC principles. In this paper we make parallels between gradual construction processes leading to the formation of individual behavior and habits, and evolutionary processes leading to the establishment of biological systems. Referencing evolutionary theory, several formal descriptors of such processes are proposed. These FC descriptors refer to the most universal aspects for constructing consistent structures: expansion of degrees of freedom, integration processes based on internal and external compatibility between systems and maintenance processes, all given in four different classes of systems: (a) Zone of Proximate Development (poorly defined) systems; (b) peer systems with emerging reproduction of multiple siblings; (c) systems with internalized integration of behavioral elements ('cruise controls'); and (d) systems capable of handling low-probability, not yet present events. The recursive dynamics within this set of descriptors acting on (traditional) downward, upward and horizontal directions of evolution, is conceptualized as diagonal evolution, or di-evolution. Two examples applying these FC descriptors to taxonomy are given: classification of the functionality of neuro-transmitters and temperament traits; classification of mental disorders. The paper is an early step towards finding a formal language describing universal tendencies in highly diverse, complex and multi-level transient systems known in ecology and biology as 'contingency cycles.'

  6. Group adaptation, formal darwinism and contextual analysis.

    PubMed

    Okasha, S; Paternotte, C

    2012-06-01

    We consider the question: under what circumstances can the concept of adaptation be applied to groups, rather than individuals? Gardner and Grafen (2009, J. Evol. Biol.22: 659-671) develop a novel approach to this question, building on Grafen's 'formal Darwinism' project, which defines adaptation in terms of links between evolutionary dynamics and optimization. They conclude that only clonal groups, and to a lesser extent groups in which reproductive competition is repressed, can be considered as adaptive units. We re-examine the conditions under which the selection-optimization links hold at the group level. We focus on an important distinction between two ways of understanding the links, which have different implications regarding group adaptationism. We show how the formal Darwinism approach can be reconciled with G.C. Williams' famous analysis of group adaptation, and we consider the relationships between group adaptation, the Price equation approach to multi-level selection, and the alternative approach based on contextual analysis. © 2012 The Authors. Journal of Evolutionary Biology © 2012 European Society For Evolutionary Biology.

  7. Versatile Formal Methods Applied to Quantum Information.

    SciTech Connect

    Witzel, Wayne; Rudinger, Kenneth Michael; Sarovar, Mohan

    2015-11-01

    Using a novel formal methods approach, we have generated computer-veri ed proofs of major theorems pertinent to the quantum phase estimation algorithm. This was accomplished using our Prove-It software package in Python. While many formal methods tools are available, their practical utility is limited. Translating a problem of interest into these systems and working through the steps of a proof is an art form that requires much expertise. One must surrender to the preferences and restrictions of the tool regarding how mathematical notions are expressed and what deductions are allowed. Automation is a major driver that forces restrictions. Our focus, on the other hand, is to produce a tool that allows users the ability to con rm proofs that are essentially known already. This goal is valuable in itself. We demonstrate the viability of our approach that allows the user great exibility in expressing state- ments and composing derivations. There were no major obstacles in following a textbook proof of the quantum phase estimation algorithm. There were tedious details of algebraic manipulations that we needed to implement (and a few that we did not have time to enter into our system) and some basic components that we needed to rethink, but there were no serious roadblocks. In the process, we made a number of convenient additions to our Prove-It package that will make certain algebraic manipulations easier to perform in the future. In fact, our intent is for our system to build upon itself in this manner.

  8. Research methods for formal consensus development.

    PubMed

    James, Daphne; Warren-Forward, Helen

    2015-01-01

    This paper reviews three research methods for developing consensus. Consensus statements and guidelines are increasingly used to clarify and standardise practice, and inform health policy, when relevant and rigorous evidence is lacking. Clinicians need to evaluate the quality of practice guidelines to determine whether to incorporate them into clinical practice or reject them. Formal methods of developing consensus provide a scientific method that uses expert panel members to evaluate current evidence and expert opinions to produce consensus statements for clinical problems. Online search for relevant literature was conducted in Medline and CINAHL. A literature review of consensus, consensus development and research methods papers published in English in peer-reviewed journals. The three methods of developing consensus discussed are the Delphi technique, nominal group technique and the consensus development conference. The techniques and their respective advantages are described, and examples from the literature are provided. The three methods are compared and a flowchart to assist researchers selecting an appropriate method is included. Online resources with information on the development and evaluation of clinical guidelines are reviewed. This paper will help researchers to select an appropriate research method for developing consensus statements and guidelines. When developing consensus guidelines for clinical practice, researchers should use a formal research method to ensure rigour and credibility.

  9. Formally grounding spatio-temporal thinking.

    PubMed

    Klippel, Alexander; Wallgrün, Jan Oliver; Yang, Jinlong; Li, Rui; Dylla, Frank

    2012-08-01

    To navigate through daily life, humans use their ability to conceptualize spatio-temporal information, which ultimately leads to a system of categories. Likewise, the spatial sciences rely heavily on conceptualization and categorization as means to create knowledge when they process spatio-temporal data. In the spatial sciences and in related branches of artificial intelligence, an approach has been developed for processing spatio-temporal data on the level of coarse categories: qualitative spatio-temporal representation and reasoning (QSTR). Calculi developed in QSTR allow for the meaningful processing of and reasoning with spatio-temporal information. While qualitative calculi are widely acknowledged in the cognitive sciences, there is little behavioral assessment whether these calculi are indeed cognitively adequate. This is an astonishing conundrum given that these calculi are ubiquitous, are often intended to improve processes at the human-machine interface, and are on several occasions claimed to be cognitively adequate. We have systematically evaluated several approaches to formally characterize spatial relations from a cognitive-behavioral perspective for both static and dynamically changing spatial relations. This contribution will detail our framework, which is addressing the question how formal characterization of space can help us understand how people think with, in, and about space.

  10. Formalism and Interpretation in Quantum Theory

    NASA Astrophysics Data System (ADS)

    Wilce, Alexander

    2010-04-01

    Quantum Mechanics can be viewed as a linear dynamical theory having a familiar mathematical framework but a mysterious probabilistic interpretation, or as a probabilistic theory having a familiar interpretation but a mysterious formal framework. These points of view are usually taken to be somewhat in tension with one another. The first has generated a vast literature aiming at a “realistic” and “collapse-free” interpretation of quantum mechanics that will account for its statistical predictions. The second has generated an at least equally large literature aiming to derive, or at any rate motivate, the formal structure of quantum theory in probabilistically intelligible terms. In this paper I explore, in a preliminary way, the possibility that these two programmes have something to offer one another. In particular, I show that a version of the measurement problem occurs in essentially any non-classical probabilistic theory, and ask to what extent various interpretations of quantum mechanics continue to make sense in such a general setting. I make a start on answering this question in the case of a rudimentary version of the Everett interpretation.

  11. A Formal Ontology of Subcellular Neuroanatomy

    PubMed Central

    Larson, Stephen D.; Fong, Lisa L.; Gupta, Amarnath; Condit, Christopher; Bug, William J.; Martone, Maryann E.

    2007-01-01

    The complexity of the nervous system requires high-resolution microscopy to resolve the detailed 3D structure of nerve cells and supracellular domains. The analysis of such imaging data to extract cellular surfaces and cell components often requires the combination of expert human knowledge with carefully engineered software tools. In an effort to make better tools to assist humans in this endeavor, create a more accessible and permanent record of their data, and to aid the process of constructing complex and detailed computational models, we have created a core of formalized knowledge about the structure of the nervous system and have integrated that core into several software applications. In this paper, we describe the structure and content of a formal ontology whose scope is the subcellular anatomy of the nervous system (SAO), covering nerve cells, their parts, and interactions between these parts. Many applications of this ontology to image annotation, content-based retrieval of structural data, and integration of shared data across scales and researchers are also described. PMID:18974798

  12. Integrating Formal Methods and Testing 2002

    NASA Technical Reports Server (NTRS)

    Cukic, Bojan

    2002-01-01

    Traditionally, qualitative program verification methodologies and program testing are studied in separate research communities. None of them alone is powerful and practical enough to provide sufficient confidence in ultra-high reliability assessment when used exclusively. Significant advances can be made by accounting not only tho formal verification and program testing. but also the impact of many other standard V&V techniques, in a unified software reliability assessment framework. The first year of this research resulted in the statistical framework that, given the assumptions on the success of the qualitative V&V and QA procedures, significantly reduces the amount of testing needed to confidently assess reliability at so-called high and ultra-high levels (10-4 or higher). The coming years shall address the methodologies to realistically estimate the impacts of various V&V techniques to system reliability and include the impact of operational risk to reliability assessment. Combine formal correctness verification, process and product metrics, and other standard qualitative software assurance methods with statistical testing with the aim of gaining higher confidence in software reliability assessment for high-assurance applications. B) Quantify the impact of these methods on software reliability. C) Demonstrate that accounting for the effectiveness of these methods reduces the number of tests needed to attain certain confidence level. D) Quantify and justify the reliability estimate for systems developed using various methods.

  13. Integrating Formal Methods and Testing 2002

    NASA Technical Reports Server (NTRS)

    Cukic, Bojan

    2002-01-01

    Traditionally, qualitative program verification methodologies and program testing are studied in separate research communities. None of them alone is powerful and practical enough to provide sufficient confidence in ultra-high reliability assessment when used exclusively. Significant advances can be made by accounting not only tho formal verification and program testing. but also the impact of many other standard V&V techniques, in a unified software reliability assessment framework. The first year of this research resulted in the statistical framework that, given the assumptions on the success of the qualitative V&V and QA procedures, significantly reduces the amount of testing needed to confidently assess reliability at so-called high and ultra-high levels (10-4 or higher). The coming years shall address the methodologies to realistically estimate the impacts of various V&V techniques to system reliability and include the impact of operational risk to reliability assessment. Combine formal correctness verification, process and product metrics, and other standard qualitative software assurance methods with statistical testing with the aim of gaining higher confidence in software reliability assessment for high-assurance applications. B) Quantify the impact of these methods on software reliability. C) Demonstrate that accounting for the effectiveness of these methods reduces the number of tests needed to attain certain confidence level. D) Quantify and justify the reliability estimate for systems developed using various methods.

  14. Indigenous Knowledge and Education from the Quechua Community to School: Beyond the Formal/Non-Formal Dichotomy

    ERIC Educational Resources Information Center

    Sumida Huaman, Elizabeth; Valdiviezo, Laura Alicia

    2014-01-01

    In this article, we propose to approach Indigenous education beyond the formal/non-formal dichotomy. We argue that there is a critical need to conscientiously include Indigenous knowledge in education processes from the school to the community; particularly, when formal systems exclude Indigenous cultures and languages. Based on ethnographic…

  15. Günther's formalism (κ-symplectic formalism) in classical field theory: Skinner-Rusk approach and the evolution operator

    NASA Astrophysics Data System (ADS)

    Rey, Angel M.; Román-Roy, Narciso; Salgado, Modesto

    2005-05-01

    The first aim of this paper is to extend the Skinner-Rusk formalism on classical mechanics for first-order field theories. The second is to generalize the definition and properties of the evolution K-operator on classical mechanics for first-order field theories using in both cases Günther's formalism (k-symplectic formalism).

  16. Indigenous Knowledge and Education from the Quechua Community to School: Beyond the Formal/Non-Formal Dichotomy

    ERIC Educational Resources Information Center

    Sumida Huaman, Elizabeth; Valdiviezo, Laura Alicia

    2014-01-01

    In this article, we propose to approach Indigenous education beyond the formal/non-formal dichotomy. We argue that there is a critical need to conscientiously include Indigenous knowledge in education processes from the school to the community; particularly, when formal systems exclude Indigenous cultures and languages. Based on ethnographic…

  17. International Training Support in Non-Formal Education. Program of Studies in Non-Formal Education. Team Reports.

    ERIC Educational Resources Information Center

    Neff, Kenneth

    The study team reports from the Program of Studies in Non-Formal Education series SO 008 056 through SO 008 065 define non-formal education and search for cross-cultural applications within the research. This document in the series assumes that there are cross-cultural applications for non-formal, educational research and searches for ways and…

  18. Guidance for Using Formal Methods in a Certification Context

    NASA Technical Reports Server (NTRS)

    Brown, Duncan; Delseny, Herve; Hayhurst, Kelly; Wiels, Virginie

    2010-01-01

    This paper discusses some of the challenges to using formal methods in a certification context and describes the effort by the Formal Methods Subgroup of RTCA SC-205/EUROCAE WG-71 to propose guidance to make the use of formal methods a recognized approach. This guidance, expected to take the form of a Formal Methods Technical Supplement to DO-178C/ED-12C, is described, including the activities that are needed when using formal methods, new or modified objectives with respect to the core DO-178C/ED-12C document, and evidence needed for meeting those objectives.

  19. Information Superiority via Formal Concept Analysis

    NASA Astrophysics Data System (ADS)

    Koester, Bjoern; Schmidt, Stefan E.

    This chapter will show how to get more mileage out of information. To achieve that, we first start with an introduction to the fundamentals of Formal Concept Analysis (FCA). FCA is a highly versatile field of applied lattice theory, which allows hidden relationships to be uncovered in relational data. Moreover, FCA provides a distinguished supporting framework to subsequently find and fill information gaps in a systematic and rigorous way. In addition, we would like to build bridges via a universal approach to other communities which can be related to FCA in order for other research areas to benefit from a theory that has been elaborated for more than twenty years. Last but not least, the essential benefits of FCA will be presented algorithmically as well as theoretically by investigating a real data set from the MIPT Terrorism Knowledge Base and also by demonstrating an application in the field of Web Information Retrieval and Web Intelligence.

  20. Geodesic Acoustic Propagation and Ballooning Mode Formalism

    NASA Astrophysics Data System (ADS)

    Li, M. B.; Diamond, P. H.; Young, G. G.; Arakawa, M.

    2005-10-01

    Relevance of ballooning formalism (BMF) in nonlinear interaction of toroidal electromagnetic drift waves in the presence of zonal flows and Geodesic Acoustic Oscillation (GAO) is critically examined from a physical argument of radial propagation of wave packets. To achieve the quasi-translational invariance of poloidal harmonics which is necessary for the BMF, the geodesic curvature induced transfer [1] of fluctuation energy in radial direction should occur faster than the time scale of physical interest. Of course, this does not happen necessarily in drift-Alfven (DALF) turbulence simulations [2]. This observation casts considerable doubts on the applicability of various codes based on the BMF concept to nonlinear electromagnetic problems. [1] B. Scott, Phys. Letters A 320 (2003) 53. [2] B. Scott, New J. Phys 7 (2005) 92.

  1. Thermodynamic consistency of the interaction parameter formalism

    NASA Astrophysics Data System (ADS)

    Srikanth, S.; Jacob, K. T.

    1988-04-01

    The apparent contradiction between the exact nature of the interaction parameter formalism as presented by Lupis and Elliott and the inconsistencies discussed recently by Pelton and Bale arise from the truncation of the Maclaurin series in the latter treatment. The truncation removes the exactness of the expression for the logarithm of the activity coefficient of a solute in a multi-component system. The integrals are therefore path dependent. Formulae for integration along paths of constant Xi, or X i/Xj are presented. The expression for In γsolvent given by Pelton and Bale is valid only in the limit that the mole fraction of solvent tends to one. The truncation also destroys the general relations between interaction parameters derived by Lupis and Elliott. For each specific choice of parameters special relationships are obtained between interaction parameters.

  2. Explicit Parallelization of Robert-Bonamy Formalism

    NASA Astrophysics Data System (ADS)

    Styers, John M.; Gamache, Robert

    2014-06-01

    Robert-Bonamy formalism has long been employed in computational spectroscopy. As a method, it presents a fine balance between accuracy, and computational viability. While within the bounds of present-day computational resources, its calculations still constitute a significant amount of computational overhead. The vast majority of said computational demand, is in the computing of the resonance functions. Major aspects of the calculation of the resonance function are extremely repetitive in nature—presenting a problem which is almost "embarrassingly parallel" in nature. The computation of the resonance functions has been explicitly parallelized, resulting in an order of magnitude speed-up on local Macintosh machines—and multiple orders of magnitude speed-up on two Cray Supercomputers (Darter and MGHPCC). This will facilitate further scientific investigation.

  3. Whatever Happened to Formal Methods for Security?

    PubMed

    Voas, J; Schaffer, K

    2016-08-01

    We asked 7 experts 7 questions to find out what has occurred recently in terms of applying formal methods (FM) to security-centric, cyber problems. We are continually reminded of the 1996 paper by Tony Hoare "How did Software Get So Reliable Without Proof?" [1] In that vein, how did we get so insecure with proof? Given daily press announcements concerning new malware, data breaches, and privacy loss, is FM still relevant or was it ever? Our experts answered with unique personal insights. We were curious as to whether this successful methodology in "safety-critical" has succeeded as well for today's "build it, hack it, patch it" mindset. Our experts were John McLean (Naval Research Labs), Paul Black (National Institute of Standards and Technology), Karl Levitt (University of California at Davis), Joseph Williams (CloudEconomist.Com), Connie Heitmeyer (Naval Research Labs), Eugene Spafford (Purdue University), and Joseph Kiniry (Galois, Inc.). The questions and responses follow.

  4. Mid-Atlantic elasmobranchs: Suitable metal scouts?

    PubMed

    Torres, Paulo; Tristão da Cunha, Regina; Rodrigues, Armindo Dos Santos

    2017-04-15

    Heavy metals are a hazard to marine fauna and human health. In this study we assess stable isotopes and metal content in Prionace glauca and Isurus oxyrinchus and analyse these results within and among other species and across regions and geographical areas. Also, we evaluate their suitability, together with Raja clavata and Galeorhinus galeus, as Mid-Atlantic bioindicators. Prionace glauca and I. oxyrinchus shared the same trophic level in a pelagic food web and did not present significant differences between genders or metals, except for As. Arsenic and Hg accumulated while Cd and Pb were not detected. One I. oxyrinchus presented Hg values above regulatory limits. A high Hg exposure was associated with I. oxyrinchus since its maximum weekly intake was exceeded. Elasmobranchs can be used as metal sentinels, each presenting different key features which defines a good marine bioindicator, allowing long-term monitoring at different temporal and spatial scales. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Habitat Suitability Index Models: Brook trout

    USGS Publications Warehouse

    Raleigh, Robert F.

    1982-01-01

    The habitat use information and Habitat Suitability Index (HSI) models presented in this document are an aid for impact assessment and habitat management activities. Literature concerning a species' habitat requirements and preferences is reviewed and then synthesized into HSI models, which are scaled to produce an index between 0 (unsuitable habitat) and 1 (optimal habitat). Assumptions used to transform habitat use information into these mathematical models are noted, and guidelines for model application are described. Any models found in the literature which may also be used to calculate an HSI are cited, and simplified HSI models, based on what the authors believe to be the most important habitat characteristics for this species, are presented.

  6. A monolithic bolometer array suitable for FIRST

    NASA Technical Reports Server (NTRS)

    Bock, J. J.; LeDuc, H. G.; Lange, A. E.; Zmuidzinas, J.

    1997-01-01

    The development of arrays of infrared bolometers that are suitable for use in the Far Infrared and Submillimeter Telescope (FIRST) mission is reported. The array architecture is based on the silicon nitride micromesh bolometer currently baselined for use in the case of the Planck mission. This architecture allows each pixel to be efficiently coupled to one or both polarizations and to one or more spatial models of radiation. Micromesh structures are currently being developed, coupled with transistor-edge sensors and read out by a SQUID amplifier. If these devices are successful, then the relatively large cooling power available at 300 mK may enable a SQUID-based multiplexer to be integrated on the same wafer as the array, creating a monolithic, fully multiplexed, 2D array with relatively few connections to the sub-Kelvin stage.

  7. Habitat Suitability Index Models: Ferruginous hawk

    USGS Publications Warehouse

    Jasikoff, Thomas M.

    1982-01-01

    The ferruginous hawk inhabits grasslands, shrublands, and steppe-deserts of the Western United States. It is a common nester in Colorado, Idaho, Montana, Utah, and Wyoming (Call 1978). Populations in the more Northern States tend to be migratory, spending the winter in New Mexico, Colorado, Kansas, Texas, and Oklahoma (Call 1979).Ferruginous hawks thrive in areas that favor the production of rabbits (Lagomorpha), prairie dogs (Cynomys spp.), or ground squirrels (Citellus spp. and Spermophilus spp.) (Call 1979), provided that suitable nesting sites are available. Foraging habitat consists of nonforested, nonmountainous areas, such as desert shrub and grassland communities. Nesting habitat consists of communities with isolated trees, woodland edges, buttes, cliffs, and/or grassland with some relief.

  8. A very general electromagnetic gyrokinetic formalism

    NASA Astrophysics Data System (ADS)

    McMillan, B. F.; Sharma, A.

    2016-09-01

    We derive a gyrokinetic formalism which is very generally valid: the ordering allows both large inhomogeneities in plasma flow and magnetic field at long wavelength, such as typical drift-kinetic theories, as well as fluctuations at the gyro-scale. The underlying approach is to order the vorticity to be small, and to assert that the timescales in the local plasma frame are long compared to the gyrofrequency. Unlike most other derivations, we do not treat the long and short wavelength components of the fluctuating fields separately; the single-field description defines the particle motion and their interaction with the electromagnetic field at small-scale, the system-scale, and intermediate length scales in a unified fashion. As in earlier literature, the work consists of identifying a coordinate system where the gyroangle-dependent terms are small, and using a near-unity transform to systematically find a set of coordinates where the gyroangle dependence vanishes. We derive a gyrokinetic Lagrangian which is valid where the vorticity | ∇ × ( E × B / B ) | is small compared to the gyrofrequency Ω, and the magnetic field scale length is long compared to the gyroradius; we also require that time variation be slow in an appropriately chosen reference frame. This appears to be a minimum set of constraints on a gyrokinetic theory and is substantially more general than earlier approaches. It is the general-geometry electromagnetic extension of Dimits, Phys. Plasmas 17, 055901 (2010) (which is an electrostatic formalism with a homogeneous background magnetic field). This approach also does not require a separate treatment of fluctuating and background components of the magnetic field, unlike much of the previous literature. As a consequence, the "cross terms" due to a combination of long- and short-wavelength variation, which were ignored in the earlier work (but derived in a more restrictive ordering in Parra and Calvo, Plasma Phys. Controlled Fusion 53, 045001 (2011

  9. Application of a new dosimetry formalism to volumetric modulated arc therapy (VMAT).

    PubMed

    Rosser, Karen E; Bedford, James L

    2009-12-07

    Volumetric modulated arc therapy (VMAT) offers a challenge to classical dosimetry protocols as the beams are dynamic in orientation and aperture shape and may include small apertures. The aim of this paper is to apply a formalism to VMAT beams that has recently been published by the International Atomic Energy Agency (IAEA) working party to improve the dosimetry for small and non-standard fields. We investigated three possible fields and assessed their suitability as plan class specific reference (pcsr) fields. The factors in the new dosimetry formalism were investigated: the conversion of dose to water from the conventional reference field to the pcsr and then from the pcsr to a treatment plan, using a PTW semiflex chamber, two Farmer chambers and an electron diode. Finally, the dose was compared for Alanine, the new formalism and calculated using Pinnacle(3) (Philips Radiation Oncology Systems) for two typical clinical VMAT beams. Correction factors between the reference field and the pcsr determined with Alanine range from 0.1% to 2.3% for the three pcsr fields. Dose to water measured using the calibrated ionization chambers is less than 2% different to the dose calculated by Pinnacle(3). VMAT planning and delivery procedures have been successfully implemented and a new dosimetry protocol has been investigated for this new technique. Calibration factors for pcsr fields are found to be up to 2.3% different when using the new formalism, compared to using a standard dosimetry protocol. Using the calibration factors determined in the pcsr fields, the ionization chambers and electron diode agree to within 1% with Alanine dosimetry for two clinical VMAT plans. Good agreements between calculations and measurements are found for these two plans when the new formalism is used.

  10. Habitat Suitability Index Models and Instream Flow Suitability Curves: White bass

    USGS Publications Warehouse

    Hamilton, Karen; Nelson, Patrick C.

    1984-01-01

    Habitat characteristics important to white bass (Morone chrysops) are reviewed in this report using two techniques developed by the U.S. Fish and Wildlife Service, the Habitat Evaluation Procedures (HEP) and the Instream Flow Incremental Methodology (IFIM). The Suitability Index (SI) curves and graphs and Habitat Suitability Index (HSI) models developed in this report are based primarily on a synthesis of information obtained from a review of literature concerning the habitat requirements of the species. A discussion of IFIM and white bass SI curves available for use with IFIM is included.

  11. Habitat Suitability Index Models and Instream Flow Suitability Curves: Brown trout

    USGS Publications Warehouse

    Raleigh, Robert F.; Zuckerman, Laurence D.; Nelson, Patrick C.

    1984-01-01

    The Habitat Suitability Index (HSI) models presented in this publication aid in identifying important habitat variables for brown trout (Salmo trutto Linneas). Facts, ideas, and concepts obtained from the research literature and expert reviews are synthesized and presented in a format that can be used for impact assessment. A brief discussion of the appropriateness of using selected Suitability Index (SI) curves from HSI models as a component of the Instream Flow Incremental Methodology (IFIM) is provided. Additional SI curves, developed specifically for analysis of brown trout habitat with IFIM, also are presented.

  12. Formal Provenance Representation of the Data and Information Supporting the National Climate Assessment

    NASA Technical Reports Server (NTRS)

    Tilmes, Curt

    2014-01-01

    The Global Change Information System (GCIS) provides a framework for the formal representation of structured metadata about data and information about global change. The pilot deployment of the system supports the National Climate Assessment (NCA), a major report of the U.S. Global Change Research Program (USGCRP). A consumer of that report can use the system to browse and explore that supporting information. Additionally, capturing that information into a structured data model and presenting it in standard formats through well defined open inter- faces, including query interfaces suitable for data mining and linking with other databases, the information becomes valuable for other analytic uses as well.

  13. Relating transverse-momentum-dependent and collinear factorization theorems in a generalized formalism

    DOE PAGES

    Collins, J.; Gamberg, L.; Prokudin, A.; ...

    2016-08-08

    We construct an improved implementation for combining TMD factorization transverse- momentum-dependent (TMD) factorization and collinear factorization. TMD factorization is suit- able for low transverse momentum physics, while collinear factorization is suitable for high transverse momenta and for a cross section integrated over transverse momentum. The result is a modified version of the standard W + Y prescription traditionally used in the Collins-Soper-Sterman (CSS) formalism and related approaches. As a result, we further argue that questions regarding the shape and Q- dependence of the cross sections at lower Q are largely governed by the matching to the Y -term.

  14. Relating transverse-momentum-dependent and collinear factorization theorems in a generalized formalism

    SciTech Connect

    Collins, J.; Gamberg, L.; Prokudin, A.; Rogers, T. C.; Sato, N.; Wang, B.

    2016-08-08

    We construct an improved implementation for combining TMD factorization transverse- momentum-dependent (TMD) factorization and collinear factorization. TMD factorization is suit- able for low transverse momentum physics, while collinear factorization is suitable for high transverse momenta and for a cross section integrated over transverse momentum. The result is a modified version of the standard W + Y prescription traditionally used in the Collins-Soper-Sterman (CSS) formalism and related approaches. As a result, we further argue that questions regarding the shape and Q- dependence of the cross sections at lower Q are largely governed by the matching to the Y -term.

  15. Formal concept analysis with background knowledge: a case study in paleobiological taxonomy of belemnites

    NASA Astrophysics Data System (ADS)

    Belohlavek, Radim; Kostak, Martin; Osicka, Petr

    2013-05-01

    We present a case study in identification of taxa in paleobiological data. Our approach utilizes formal concept analysis and is based on conceiving a taxon as a group of individuals sharing a collection of attributes. In addition to the incidence relation between individuals and their attributes, the method uses expert background knowledge regarding importance of attributes which helps to filter out correctly formed but paleobiologically irrelevant taxa. We present results of experiments carried out with belemnites-a group of extinct cephalopods which seems particularly suitable for such a purpose. We demonstrate that the methods are capable of revealing taxa and relationships among them that are relevant from a paleobiological point of view.

  16. The Most Suitable Habitats in the Galaxy

    NASA Astrophysics Data System (ADS)

    Mason, Paul A.

    2016-06-01

    Astrophysical environments constrain life on the surface of planets. The classical habitable zone characterized by stellar luminosity and temperature may be defined both for single stars and planets in binary star systems. However, in many cases, habitability is strongly affected by stellar UV radiation, winds, and catastrophic events such as nearby supernovae, GRBs, and AGN. Planets with sufficiently thick atmospheres and strong magnetic fields provide protection against radiation from the host star(s) and some nearby radiation events. Atmospheric ozone provides significant UV shield if present. Single star and binary winds provide additional protection for habitable zone planets from galactic cosmic-rays. In certain cases, binary star winds have increased protection over single stars, by providing a longer path-length against particle fluxes, since these binaries produce a higher wind flux and thus a larger “heliosphere” than a single star of comparable mass. Metallicity also plays an important role, with improvements in habitability increasing with stellar metallicity. It is proposed that circumbinary planets, Earth-like and super-Earths, with thick atmospheres, including ozone, high metallicity, and strong magnetic fields are the most suitable habitats in the Galaxy.

  17. Suitability of amphibians and reptiles for translocation.

    PubMed

    Germano, Jennifer M; Bishop, Phillip J

    2009-02-01

    Translocations are important tools in the field of conservation. Despite increased use over the last few decades, the appropriateness of translocations for amphibians and reptiles has been debated widely over the past 20 years. To provide a comprehensive evaluation of the suitability of amphibians and reptiles for translocation, we reviewed the results of amphibian and reptile translocation projects published between 1991 and 2006. The success rate of amphibian and reptile translocations reported over this period was twice that reported in an earlier review in 1991. Success and failure rates were independent of the taxonomic class (Amphibia or Reptilia) released. Reptile translocations driven by human-wildlife conflict mitigation had a higher failure rate than those motivated by conservation, and more recent projects of reptile translocations had unknown outcomes. The outcomes of amphibian translocations were significantly related to the number of animals released, with projects releasing over 1000 individuals being most successful. The most common reported causes of translocation failure were homing and migration of introduced individuals out of release sites and poor habitat. The increased success of amphibian and reptile translocations reviewed in this study compared with the 1991 review is encouraging for future conservation projects. Nevertheless, more preparation, monitoring, reporting of results, and experimental testing of techniques and reintroduction questions need to occur to improve translocations of amphibians and reptiles as a whole.

  18. Connecting Formal and Informal Learning Experiences

    NASA Astrophysics Data System (ADS)

    O'Mahony, Timothy Kieran

    The learning study reports on part of a larger project being lead by the author. In this dissertation I explore one goal of this project---to understand effects on student learning outcomes as a function of using different methods for connecting out-of-school experiential learning with formal school-based instruction. There is a long history of assuming that "experience is the best teacher"(e.g. Aristotle, 360 BC; Dewey, 1934; Kolb, 1997; Pliny, AD 77). As a practical geographer I endorsed that assumption throughout my teaching career, paying attention to local topography, physical features, and natural resources in the geographic hinterland. I was particularly interested in understanding the impact of the physical landscape on humankind, and reciprocally, noting humankind's widespread impressions on the natural world. Until I began this research project, I assumed that everyone else paid a similar attention to immediate surroundings. The work that I describe in this dissertation emerges out of a conviction that there are many degrees of truth to the idea that experience is a great teacher. Its effectiveness seems to depend on how one's "experience" is mediated, and how "learning from it" is defined. This motivated me to think about design principles for linking people's experiences to learning. I began to explore, experimentally, how I might enhance people's abilities to notice, represent, and discuss their experiences in order to better learn from them. This study investigated how different ways of connecting outdoor learning experiences to formal schooling impacts students' performance. I studied high-school students in outdoor settings as they engaged in evocative issues of learning pertaining to consequential everyday life encounters. Different kinds of "expert mediation" were introduced and tested as the students engaged in investigative activities around the science of dam removal and habitat restoration. I measured outcomes with the aid of pre- and

  19. Formal verification of an oral messages algorithm for interactive consistency

    NASA Technical Reports Server (NTRS)

    Rushby, John

    1992-01-01

    The formal specification and verification of an algorithm for Interactive Consistency based on the Oral Messages algorithm for Byzantine Agreement is described. We compare our treatment with that of Bevier and Young, who presented a formal specification and verification for a very similar algorithm. Unlike Bevier and Young, who observed that 'the invariant maintained in the recursive subcases of the algorithm is significantly more complicated than is suggested by the published proof' and who found its formal verification 'a fairly difficult exercise in mechanical theorem proving,' our treatment is very close to the previously published analysis of the algorithm, and our formal specification and verification are straightforward. This example illustrates how delicate choices in the formulation of the problem can have significant impact on the readability of its formal specification and on the tractability of its formal verification.

  20. Systems immunology: a survey of modeling formalisms, applications and simulation tools.

    PubMed

    Narang, Vipin; Decraene, James; Wong, Shek-Yoon; Aiswarya, Bindu S; Wasem, Andrew R; Leong, Shiang Rong; Gouaillard, Alexandre

    2012-09-01

    Immunological studies frequently analyze individual components (e.g., signaling pathways) of immune systems in a reductionist manner. In contrast, systems immunology aims to give a synthetic understanding of how these components function together as a whole. While immunological research involves in vivo and in vitro experiments, systems immunology research can also be conducted in silico. With an increasing interest in systems-level studies spawned by high-throughput technologies, many immunologists are looking forward to insights provided by computational modeling and simulation. However, modeling and simulation research has mainly been conducted in computational fields, and therefore, little material is available or accessible to immunologists today. This survey is an attempt at bridging the gap between immunologists and systems immunology modeling and simulation. Modeling and simulation refer to building and executing an in silico replica of an immune system. Models are specified within a mathematical or algorithmic framework called formalism and then implemented using software tools. A plethora of modeling formalisms and software tools are reported in the literature for systems immunology. However, it is difficult for a new entrant to the field to know which of these would be suitable for modeling an immunological application at hand. This paper covers three aspects. First, it introduces the field of system immunology emphasizing on the modeling and simulation components. Second, it gives an overview of the principal modeling formalisms, each of which is illustrated with salient applications in immunological research. This overview of formalisms and applications is conducted not only to illustrate their power but also to serve as a reference to assist immunologists in choosing the best formalism for the problem at hand. Third, it lists major software tools, which can be used to practically implement models in these formalisms. Combined, these aspects can help

  1. Formal Techniques for Synchronized Fault-Tolerant Systems

    NASA Technical Reports Server (NTRS)

    DiVito, Ben L.; Butler, Ricky W.

    1992-01-01

    We present the formal verification of synchronizing aspects of the Reliable Computing Platform (RCP), a fault-tolerant computing system for digital flight control applications. The RCP uses NMR-style redundancy to mask faults and internal majority voting to purge the effects of transient faults. The system design has been formally specified and verified using the EHDM verification system. Our formalization is based on an extended state machine model incorporating snapshots of local processors clocks.

  2. Formal modeling and verification of fractional order linear systems.

    PubMed

    Zhao, Chunna; Shi, Likun; Guan, Yong; Li, Xiaojuan; Shi, Zhiping

    2016-05-01

    This paper presents a formalization of a fractional order linear system in a higher-order logic (HOL) theorem proving system. Based on the formalization of the Grünwald-Letnikov (GL) definition, we formally specify and verify the linear and superposition properties of fractional order systems. The proof provides a rigor and solid underpinnings for verifying concrete fractional order linear control systems. Our implementation in HOL demonstrates the effectiveness of our approach in practical applications.

  3. A formalism for the calculus of variations with spinors

    SciTech Connect

    Bäckdahl, Thomas; Valiente Kroon, Juan A.

    2016-02-15

    We develop a frame and dyad gauge-independent formalism for the calculus of variations of functionals involving spinorial objects. As a part of this formalism, we define a modified variation operator which absorbs frame and spin dyad gauge terms. This formalism is applicable to both the standard spacetime (i.e., SL(2, ℂ)) 2-spinors as well as to space (i.e., SU(2, ℂ)) 2-spinors. We compute expressions for the variations of the connection and the curvature spinors.

  4. The Lagrangian-Hamiltonian formalism for higher order field theories

    NASA Astrophysics Data System (ADS)

    Vitagliano, Luca

    2010-06-01

    We generalize the Lagrangian-Hamiltonian formalism of Skinner and Rusk to higher order field theories on fiber bundles. As a byproduct we solve the long standing problem of defining, in a coordinate free manner, a Hamiltonian formalism for higher order Lagrangian field theories. Namely, our formalism does only depend on the action functional and, therefore, unlike previously proposed ones, is free from any relevant ambiguity.

  5. Epoch of reionization window. I. Mathematical formalism

    NASA Astrophysics Data System (ADS)

    Liu, Adrian; Parsons, Aaron R.; Trott, Cathryn M.

    2014-07-01

    The 21 cm line provides a powerful probe of astrophysics and cosmology at high redshifts, but unlocking the potential of this probe requires the robust mitigation of foreground contaminants that are typically several orders of magnitude brighter than the cosmological signal. Recent simulations and observations have shown that the smooth spectral structure of foregrounds combines with instrument chromaticity to contaminate a "wedge"-shaped region in cylindrical Fourier space. While previous efforts have explored the suppression of foregrounds within this wedge, as well as the avoidance of this highly contaminated region, all such efforts have neglected a rigorous examination of the error statistics associated with the wedge. Using a quadratic estimator formalism applied to the interferometric measurement equation, we provide a framework for such a rigorous analysis (incorporating a fully covariant treatment of errors). Additionally, we find that there are strong error correlations at high spatial wave numbers that have so far been neglected in sensitivity derivations. These error correlations substantially degrade the sensitivity of arrays relying on contributions from long baselines, compared to what one would estimate assuming uncorrelated errors.

  6. Whatever Happened to Formal Methods for Security?

    PubMed Central

    Voas, J.; Schaffer, K.

    2016-01-01

    We asked 7 experts 7 questions to find out what has occurred recently in terms of applying formal methods (FM) to security-centric, cyber problems. We are continually reminded of the 1996 paper by Tony Hoare “How did Software Get So Reliable Without Proof?” [1] In that vein, how did we get so insecure with proof? Given daily press announcements concerning new malware, data breaches, and privacy loss, is FM still relevant or was it ever? Our experts answered with unique personal insights. We were curious as to whether this successful methodology in “safety-critical” has succeeded as well for today’s “build it, hack it, patch it” mindset. Our experts were John McLean (Naval Research Labs), Paul Black (National Institute of Standards and Technology), Karl Levitt (University of California at Davis), Joseph Williams (CloudEconomist.Com), Connie Heitmeyer (Naval Research Labs), Eugene Spafford (Purdue University), and Joseph Kiniry (Galois, Inc.). The questions and responses follow. PMID:27890940

  7. High Leverage Outreach to Formal Education

    NASA Astrophysics Data System (ADS)

    Silva, S.

    2005-12-01

    The Education and Public Outreach (E/PO) Group at Sonoma State University (SSU) develops formal and informal educational products based on several NASA high-energy space missions (GLAST, Swift, and XMM-Newton). Since 2001, the SSU group has managed the Universe Educator Ambassador (EA) program. This program trains exceptional educators in the materials and missions in NASA's Universe division. The EAs then help the SSU group develop, test, and disseminate the materials across the Universe division. Chosen in a national competition, EAs have won prestigious national honors such as the Radio Shack Teacher of the Year award, the Presidential Award for Excellence in Math & Science Teaching, and Internet Teacher of the Year. Under SSU's management, the original group of 10 EAs has increased to 20. In a typical year, the EAs hold about 150 workshops at educator conferences that are attended by over 10,000 teachers. This highly successful program now involves six different NASA space science missions and one NASA research center. We will review the EA program and discuss how it has improved not only the quality of our work but also the overall effectiveness and usefulness in the classroom of NASA materials.

  8. Formal Methods Applications in Air Transportation

    NASA Technical Reports Server (NTRS)

    Farley, Todd

    2009-01-01

    The U.S. air transportation system is the most productive in the world, moving far more people and goods than any other. It is also the safest system in the world, thanks in part to its venerable air traffic control system. But as demand for air travel continues to grow, the air traffic control system s aging infrastructure and labor-intensive procedures are impinging on its ability to keep pace with demand. And that impinges on the growth of our economy. Air traffic control modernization has long held the promise of a more efficient air transportation system. Part of NASA s current mission is to develop advanced automation and operational concepts that will expand the capacity of our national airspace system while still maintaining its excellent record for safety. It is a challenging mission, as efforts to modernize have, for decades, been hamstrung by the inability to assure safety to the satisfaction of system operators, system regulators, and/or the traveling public. In this talk, we ll provide a brief history of air traffic control, focusing on the tension between efficiency and safety assurance, and the promise of formal methods going forward.

  9. [Neural correlates of "negative" formal thought disorder].

    PubMed

    Kircher, T; Liddle, P; Brammer, M; Murray, R; McGuire, P

    2003-09-01

    Formal thought disorder (FTD) is a core feature of schizophrenia, but its pathophysiology is poorly understood. It can be conceptualised as 'positive' (e.g. incoherence, neologisms) or 'negative' (e.g. poverty of thought) thought disorder. We investigated the neural correlates of negative FTD. Blood oxygenation level-dependent (BOLD) contrast was measured using functional magnetic resonance imaging (fMRI) while six patients with schizophrenia and six healthy control subjects spoke about seven Rorschach inkblots for 3 min each. Varying degrees of thought-disordered speech were elicited during each run. In a within-subject design, the degree of negative thought disorder, conceptualised as 'poverty of speech' (Liddle et al. (2002) Thought and Language Index. Br J Psychiatry) was correlated with BOLD contrast in the two runs per patient showing the highest variance in this phenomenon. The degree of poverty of speech correlated positively mainly with activation in the right inferior parietal lobe (BA 40), middle frontal gyrus (BA 46), cuneus (BA 18), and the left posterior cingulate (BA 31). Negative correlations were evident in the left hippocampal/fusiform gyrus (BA 35/36/37). The severity of negative FTD correlates with activation in areas previously implicated in autobiographic episodic memory. During symptoms behaviourally characterised as negative, patients may experience rich memories and associations.

  10. Toward solotronics design in the Wigner formalism

    NASA Astrophysics Data System (ADS)

    Sellier, J. M.; Dimov, I.

    2015-01-01

    The capability of manipulating single dopant atoms in semiconductor materials, with atomic precision, has given birth to a new branch of electronics known as solotronics (solitary dopant optoelectronics). While experiments are advancing rapidly, the theoretical comprehension of quantum phenomena occurring at that scale is relatively basic. Indeed, in this context, simulations come with incredible mathematical challenges. This eventually prevents practical design and optimization of solotronic devices. In this work, we focus our attention on a planar honeycomb structure exploiting single dopants embedded in silicon and study under which conditions it behaves as an electron ballistic channel. To this aim, we apply the time-dependent Wigner Monte Carlo formalism, based on signed particles to simulate and analyze the phenomena occurring in the proposed structure. We show that, by positioning the dopant atoms (phosphorus and boron) in particular planar patterns (honeycomb), it is possible to control the dynamics of a single electron. Finally, by introducing spatial distortions, we can show how the time-dependent electron dynamics is eventually affected. The results confirm that the Wigner Monte Carlo method is an efficient TCAD (Technology Computer Aided Design) tool which can be exploited for the time-dependent simulation of even more realistic situations necessary for the design of active solotronic devices.

  11. Formal policies for flexible EHR security.

    PubMed

    Blobel, Bernd; Pharow, Peter

    2006-01-01

    State of the Art methodologies for establishing requirements and solutions to securing applications are based on narrative descriptions about the use of available system, sometimes also dedicated to system components. Even nowadays new developments to ruling application security services by the use of predicate logic suffer from being administered manually. Therefore, security and privacy requirements cannot be properly met resulting in restrictions and fears for allowing the use of sensitive data and functions. Because of the sensitivity of personal health information and especially of genetic data with its wider implications beyond the original subject of care, weaknesses in guaranteeing fine-grained security and privacy rules lead to less acceptance or even the avoidance of essential information transfer and use. To overcome the problem, security and privacy have to become properties of the architectural components of the respective health information system. Embedding security into the systems architecture allows for negotiating and enforcing any security and privacy services related to principals, their roles, their relationships, further contextual information as well as other regulations summarized in formally modeled policies. The paper introduces the evolving paradigm of the model-driven architecture, first time also comprehensively deployed for security and privacy services in bio-genetic and health information systems.

  12. Starobinsky cosmological model in Palatini formalism

    NASA Astrophysics Data System (ADS)

    Stachowski, Aleksander; Szydłowski, Marek; Borowiec, Andrzej

    2017-06-01

    We classify singularities in FRW cosmologies, which dynamics can be reduced to the dynamical system of the Newtonian type. This classification is performed in terms of the geometry of a potential function if it has poles. At the sewn singularity, which is of a finite scale factor type, the singularity in the past meets the singularity in the future. We show that such singularities appear in the Starobinsky model in f({\\hat{R}})={\\hat{R}}+γ {\\hat{R}}^2 in the Palatini formalism, when dynamics is determined by the corresponding piecewise-smooth dynamical system. As an effect we obtain a degenerate singularity. Analytical calculations are given for the cosmological model with matter and the cosmological constant. The dynamics of model is also studied using dynamical system methods. From the phase portraits we find generic evolutionary scenarios of the evolution of the universe. For this model, the best fit value of Ω _γ =3γ H_0^2 is equal 9.70× 10^{-11}. We consider a model in both Jordan and Einstein frames. We show that after transition to the Einstein frame we obtain both the form of the potential of the scalar field and the decaying Lambda term.

  13. Fostering Formal Commutativity Knowledge with Approximate Arithmetic.

    PubMed

    Hansen, Sonja Maria; Haider, Hilde; Eichler, Alexandra; Godau, Claudia; Frensch, Peter A; Gaschler, Robert

    2015-01-01

    How can we enhance the understanding of abstract mathematical principles in elementary school? Different studies found out that nonsymbolic estimation could foster subsequent exact number processing and simple arithmetic. Taking the commutativity principle as a test case, we investigated if the approximate calculation of symbolic commutative quantities can also alter the access to procedural and conceptual knowledge of a more abstract arithmetic principle. Experiment 1 tested first graders who had not been instructed about commutativity in school yet. Approximate calculation with symbolic quantities positively influenced the use of commutativity-based shortcuts in formal arithmetic. We replicated this finding with older first graders (Experiment 2) and third graders (Experiment 3). Despite the positive effect of approximation on the spontaneous application of commutativity-based shortcuts in arithmetic problems, we found no comparable impact on the application of conceptual knowledge of the commutativity principle. Overall, our results show that the usage of a specific arithmetic principle can benefit from approximation. However, the findings also suggest that the correct use of certain procedures does not always imply conceptual understanding. Rather, the conceptual understanding of commutativity seems to lag behind procedural proficiency during elementary school.

  14. Applicability domain: towards a more formal definition.

    PubMed

    Hanser, T; Barber, C; Marchaland, J F; Werner, S

    2016-11-01

    In recent years the applicability domain (AD) of a prediction system has become an important concern in (Q)SAR modelling, especially in the context of human safety assessment. Today AD is an active research topic, and many methods have been designed to estimate the adequacy of a model and the confidence in its outcome for a given prediction task. Unfortunately, the wide spectrum of techniques developed for this purpose is based on various definitions of the concept of AD, often taking into account different types of information. This variety of methodologies confuses the end users and makes the comparison of the AD for different models almost impossible. In this article, we demonstrate that AD is not a monolithic concept and can be broken down into three well-defined sub-domains assessing confidence at the model, prediction and decision levels, respectively. By leveraging this separation of concerns we have an opportunity to clarify, formalize and extend the definition of AD. We propose a framework that captures this new vision with the aim to initiate a global effort to converge towards a common AD definition within the (Q)SAR community.

  15. Boltzmann hierarchy for interacting neutrinos I: formalism

    SciTech Connect

    Oldengott, Isabel M.; Rampf, Cornelius; Wong, Yvonne Y.Y. E-mail: cornelius.rampf@port.ac.uk

    2015-04-01

    Starting from the collisional Boltzmann equation, we derive for the first time and from first principles the Boltzmann hierarchy for neutrinos including interactions with a scalar particle. Such interactions appear, for example, in majoron-like models of neutrino mass generation. We study two limits of the scalar mass: (i) An extremely massive scalar whose only role is to mediate an effective 4-fermion neutrino-neutrino interaction, and (ii) a massless scalar that can be produced in abundance and thus demands its own Boltzmann hierarchy. In contrast to, e.g., the first-order Boltzmann hierarchy for Thomson-scattering photons, our interacting neutrino/scalar Boltzmann hierarchies contain additional momentum-dependent collision terms arising from a non-negligible energy transfer in the neutrino-neutrino and neutrino-scalar interactions. This necessitates that we track each momentum mode of the phase space distributions individually, even if the particles were massless. Comparing our hierarchy with the commonly used (c{sub eff}{sup 2},c{sub vis}{sup 2})-parameterisation, we find no formal correspondence between the two approaches, which raises the question of whether the latter parameterisation even has an interpretation in terms of particle scattering. Lastly, although we have invoked majoron-like models as a motivation for our study, our treatment is in fact generally applicable to all scenarios in which the neutrino and/or other ultrarelativistic fermions interact with scalar particles.

  16. The Parametrized Post-Newtonian-Vainshteinian formalism

    SciTech Connect

    Avilez-Lopez, A.; Padilla, A.; Saffin, Paul M.; Skordis, C. E-mail: antonio.padilla@nottingham.ac.uk E-mail: skordis@ucy.ac.cy

    2015-06-01

    Light degrees of freedom that modify gravity on cosmological scales must be ''screened' on solar system scales in order to be compatible with data. The Vainshtein mechanism achieves this through a breakdown of classical perturbation theory, as large interactions involving new degrees of freedom become important below the so-called Vainshtein radius. We begin to develop an extension of the Parameterized Post-Newtonian (PPN) formalism that is able to handle Vainshteinian corrections. We argue that theories with a unique Vainshtein scale must be expanded using two small parameters. In this Parameterized Post-Newtonian-Vainshteinian (PPNV) expansion, the primary expansion parameter that controls the PPN order is, as usual, the velocity v. The secondary expansion parameter, α, controls the strength of the Vainshteinian correction and is a theory-specific combination of the Schwarzschild radius and the Vainshtein radius of the source that is independent of its mass. We present the general framework and apply it to Cubic Galileon theory both inside and outside the Vainshtein radius. The PPNV framework can be used to determine the compatibility of such theories with solar system and other strong-field data.

  17. Fostering Formal Commutativity Knowledge with Approximate Arithmetic

    PubMed Central

    Hansen, Sonja Maria; Haider, Hilde; Eichler, Alexandra; Godau, Claudia; Frensch, Peter A.; Gaschler, Robert

    2015-01-01

    How can we enhance the understanding of abstract mathematical principles in elementary school? Different studies found out that nonsymbolic estimation could foster subsequent exact number processing and simple arithmetic. Taking the commutativity principle as a test case, we investigated if the approximate calculation of symbolic commutative quantities can also alter the access to procedural and conceptual knowledge of a more abstract arithmetic principle. Experiment 1 tested first graders who had not been instructed about commutativity in school yet. Approximate calculation with symbolic quantities positively influenced the use of commutativity-based shortcuts in formal arithmetic. We replicated this finding with older first graders (Experiment 2) and third graders (Experiment 3). Despite the positive effect of approximation on the spontaneous application of commutativity-based shortcuts in arithmetic problems, we found no comparable impact on the application of conceptual knowledge of the commutativity principle. Overall, our results show that the usage of a specific arithmetic principle can benefit from approximation. However, the findings also suggest that the correct use of certain procedures does not always imply conceptual understanding. Rather, the conceptual understanding of commutativity seems to lag behind procedural proficiency during elementary school. PMID:26560311

  18. On Applicability of Formal Methods and Tools to Dependable Services

    NASA Astrophysics Data System (ADS)

    Ishikawa, Fuyuki; Honiden, Shinichi

    As a variety of digital services are provided through networks, more and more efforts are made to ensure dependability of software behavior implementing services. Formal methods and tools have been considered as promising means to support dependability in complex software systems during the development. On the other hand, there have been serious doubts on practical applicability of formal methods. This paper overviews the present state of formal methods and discusses their applicability, especially focusing on two representative methods (SPIN and B Method) and their recent industrial applications. This paper also discusses applications of formal methods to dependable networked software.

  19. A Formal Semantics for the SRI Hierarchical Program Design Methodology

    NASA Technical Reports Server (NTRS)

    Boyer, R. S.; Moore, J. S.

    1983-01-01

    A formal statement of what it means to use (a subset of) the methodology is presented. It is formally defined that some specified module exists and what it means to say that another module is paid correctly implemented on top of it. No attention is to motivation, either of the methodology or of the formal development of it. Concentration is entirely upon mathematical succinctness and precision. A discussion is presented of how to use certain INTERLISP programs which implement the formal definitions. Among these are a program which generates Floyd like verification conditions sufficient to imply the correctness of a module implementation.

  20. Historical revision of the differential Stokes-Mueller formalism: discussion.

    PubMed

    Arteaga, Oriol

    2017-03-01

    The differential Stokes-Mueller matrix formalism expresses the local evolution of the Mueller matrix or the Stokes parameters for light propagating through a homogeneous optical medium. This paper presents a historical revision of the development of the differential Stokes-Mueller matrix formalism and highlights several important early contributions that have been overlooked. Particularly relevant is that this formalism was pioneered as early as 1929 by Paul Soleillet, almost 50 years earlier than it has been usually assumed. This historical revision demonstrates that several different authors independently formulated the differential Stokes-Mueller formalism during the 20th century and they found equivalent results studying the propagation problem from different approaches.