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)
Real and hybrid atomic orbitals
NASA Astrophysics Data System (ADS)
Cook, D. B.; Fowler, P. W.
1981-09-01
It is shown that the Schrödinger 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. Thus the real and hybrid atomic orbitals have as sound a pedigree as the more familiar complex orbitals based on the separation of the Schrödinger equation in spherical polar coordinates.
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…
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)
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…
Translation and integration of numerical atomic orbitals in linear molecules.
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. PMID:24527905
Translation and integration of numerical atomic orbitals in linear molecules
NASA Astrophysics Data System (ADS)
Heinäsmäki, Sami
2014-02-01
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.
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).
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 N(2.6) 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). PMID:27155629
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.
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.
Solution of atomic orbitals in an interpolating wavelet basis.
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). PMID:15697547
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…
Atomic-orbital expansion model for describing ion-atom collisions at intermediate and low energies
Lin, C.D.; Fritsch, W.
1983-01-01
In the description of inelastic processes in ion-atom collisions at moderate energies, the semiclassical close-coupling method is well established as the standard method. Ever since the pioneering work on H/sup +/ + H in the early 60's, the standard procedure is to expand the electronic wavefunction in terms of molecular orbitals (MO) or atomic orbitals (AO) for describing collisions at, respectively, low or intermediate velocities. It has been recognized since early days that traveling orbitals are needed in the expansions in order to represent the asymptotic states in the collisions correctly. While the adoption of such traveling orbitals presents no conceptual difficulties for expansions using atomic orbitals, the situation for molecular orbitals is less clear. In recent years, various forms of traveling MO's have been proposed, but conflicting results for several well-studied systems have been reported.
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.
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. PMID:27394099
NASA Astrophysics Data System (ADS)
Goings, Joshua J.; Li, Xiaosong
2016-06-01
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.
Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework
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)
Explicitly correlated atomic orbital basis second order Møller-Plesset theory
NASA Astrophysics Data System (ADS)
Hollman, David S.; Wilke, Jeremiah J.; Schaefer, Henry F.
2013-02-01
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)], 10.1063/1.3693908. 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.
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.
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. PMID:27472127
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…
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
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.
NASA Astrophysics Data System (ADS)
Reeves, Kyle; Kanai, Yosuke
2013-03-01
The concept of oxidation state of atoms in molecules and materials is widely used to predict and understand chemical and physical properties. This concept is perhaps driven more empirically than by any rigorous criteria differentiating one oxidation state from another. Within the oxidation state framework, an integer number of electrons is assigned to the nuclei within a system. In practice, a distribution of electron density makes it difficult to quantify such discrete assignments without some ambiguities. We explore three different charge analysis approaches in density functional theory calculations for addressing the oxidation state of important organometallic molecules [Ru(bpy)3]2+ and [Ru(bpy)3]3+, which are widely used for solar energy conversion applications. Bader charge analysis, Wannier function analysis, and atomic orbital projection are employed in this work. Given the highly-localized nature of the d-electrons of the ruthenium atom, the charge analysis methods are also compared with Hubbard-U correction. We also discuss how the solvation by water molecules influences the oxidation state characterization for these organometallic complexes.
Huang, Minghuang; Cuma, Martin; Liu, Feng
2003-06-27
We perform extensive first-principles calculations to simulate the topographical atomic-force-microscope image of an adatom on the Si(111)-(7 x 7) surface, demonstrating the feasibility of imaging not only the atoms but also the atomic orbitals. Our comparative study of tip terminations shows that two subatomic features can appear for a single adatom when it is imaged by a Si(001)-type tip having two dangling bonds on its apex, while only one feature would appear if it were imaged by a Si(111)-type tip having one dangling bond on the apex. The key condition for seeing the atomic orbitals is to bring the tip so close to the surface that the angular-dependent force dominates the tip-surface interaction. PMID:12857147
Liquid Water through Density-Functional Molecular Dynamics: Plane-Wave vs Atomic-Orbital Basis Sets.
Miceli, Giacomo; Hutter, Jürg; Pasquarello, Alfredo
2016-08-01
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. PMID:27434607
NASA Astrophysics Data System (ADS)
Thomas, Patrick Ryan
Large simulation cell sizes, relativistic effects, and the need to correctly model excited state properties are major impediments to the accurate prediction of the optical properties of candidate materials for solid-state laser crystal and luminescent applications. To overcome these challenges, new methods must be created to improve the electron orbital wavefunction and interactions. In this work, a method has been developed to create new analytical four-component, fully-relativistic and single-component scalar relativistic descriptions of the atomic orbital wave functions from Grasp2K numerically represented atomic orbitals. In addition, adapted theory for the calculation of the relativistic kinetic energy contribution to Hamiltonian which bypasses directly solving the Dirac equation has been explicated. The orbital description improvements are tested against YAG, YBCO, SnO2 and BiF3. The improvements to the basis set reflect an improvement in both computational speed and accuracy.
The splitting of atomic orbitals with a common principal quantum number revisited: np vs. ns.
Katriel, Jacob
2012-04-14
Atomic orbitals with a common principal quantum number are degenerate, as in the hydrogen atom, in the absence of interelectronic repulsion. Due to the virial theorem, electrons in such orbitals experience equal nuclear attractions. Comparing states of several-electron atoms that differ by the occupation of orbitals with a common principal quantum number, such as 1s(2) 2s vs. 1s(2) 2p, we find that although the difference in energies, ΔE, is due to the interelectronic repulsion term in the Hamiltonian, the difference between the interelectronic repulsions, ΔC, makes a smaller contribution to ΔE than the corresponding difference between the nuclear attractions, ΔL. Analysis of spectroscopic data for atomic isoelectronic sequences allows an extensive investigation of these issues. In the low nuclear charge range of pertinent isoelectronic sequences, i.e., for neutral atoms and mildly positively charged ions, it is found that ΔC actually reverses its sign. About 96% of the nuclear attraction difference between the 6p (2)P and the 6s (2)S states of the Cs atom is cancelled by the corresponding interelectronic repulsion difference. From the monotonic increase of ΔE with Z it follows (via the Hellmann-Feynman theorem) that ΔL > 0. Upon increasing the nuclear charge along an atomic isoelectronic sequence with a single electron outside a closed shell from Z(c), the critical charge below which the outmost electron is not bound, to infinity, the ratio ΔC/ΔL increases monotonically from lim(Z→Z(c)(+))ΔC/ΔL=-1 to lim(Z→∞)ΔC/ΔL=1. These results should allow for a more nuanced discussion than is usually encountered of the crude electronic structure of many-electron atoms and the structure of the periodic table. PMID:22502506
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
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
NASA Astrophysics Data System (ADS)
Wang, Mingliang; Wong, Chung F.; Liu, Jianhong; Zhang, Peixin
2007-07-01
We have successfully coupled the Kohn-Sham with Poisson-Boltzmann equations to predict the solvation free energy, where the Kohn-Sham equations were solved by implementing the flexible pseudo atomic orbitals as in S IESTA package. It was found that the calculated solvation free energy is in good agreement with experimental results for small neutral molecules, and its standard error is 1.33 kcal/mol, the correlation coefficient is 0.97. Due to its high efficiency and accuracy, the proposed model can be a promising tool for computing solvation free energies in computer aided drug design in future.
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.
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.
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…
Visualization of atom's orbits.
Kim, Byungwhan
2014-02-01
High-resolution imaging techniques have been used to obtain views of internal shapes of single atoms or columns of atoms. This review article focuses on the visualization of internal atomic structures such as the configurations of electron orbits confined to atoms. This is accomplished by applying visualization techniques to the reported images of atoms or molecules as well as static and dynamic ions in a plasma. It was found that the photon and electron energies provide macroscopic and microscopic views of the orbit structures of atoms, respectively. The laser-imaged atoms showed a rugged orbit structure, containing alternating dark and bright orbits believed to be the pathways for an externally supplied laser energy and internally excited electron energy, respectively. By contrast, the atoms taken by the electron microscopy provided a structure of fine electron orbits, systematically formed in increasing order of grayscale representing the energy state of an orbit. This structure was identical to those of the plasma ions. The visualized electronic structures played a critical role in clarifying vague postulates made in the Bohr model. Main features proposed in the atomic model are the dynamic orbits absorbing an externally supplied electromagnetic energy, electron emission from them while accompanying light radiation, and frequency of electron waves not light. The light-accompanying electrons and ionic speckles induced by laser light signify that light is composed of electrons and ions. PMID:24749452
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 LuX 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 LnX 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 LuX 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. PMID:25565146
Igenbergs, Katharina; Wallerberger, Markus; Aumayr, Friedrich
2011-06-01
Collisions of neutral hydrogen atoms with multiply charged ions have been studied in the past using the semi-classical atomic-orbital close-coupling method. We present total and state-resolved cross sections for charge exchange as well as ionization. The advent of supercomputers and parallel programming facilities now allow treatment of collision systems that have been out of reach before, because much larger basis sets involving high quantum numbers are now feasible.
NASA Astrophysics Data System (ADS)
Schurkus, Henry F.; Ochsenfeld, Christian
2016-01-01
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.
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.
Egidi, Franco; Goings, Joshua J; Frisch, Michael J; Li, Xiaosong
2016-08-01
In this work, we present a linear-response formalism of the complex two-component Hartree-Fock Hamiltonian that includes relativistic effects within the Douglas-Kroll-Hess and the Exact-Two-Component frameworks. The method includes both scalar and spin relativistic effects in the variational description of electronic ground and excited states, although it neglects the picture-change and explicit spin-orbit contributions arising from the two-electron interaction. An efficient direct formalism of solving the complex two-component response function is also presented in this work. The presence of spin-orbit couplings in the Hamiltonian and the two-component nature of the wave function and Fock operator allows the computation of excited-state zero-field splittings of systems for which relativistic effects are dominated by the one-electron term. Calculated results are compared to experimental reference values to assess the quality of the underlying approximations. The results show that the relativistic two-component linear response methods are able to capture the excited-state zero-field splittings with good agreement with experiments for the systems considered here, with all approximations exhibiting a similar performance. However, the error increases for heavy elements and for states of high orbital angular momentum, suggesting the importance of the two-electron relativistic effect in such situations. PMID:27387787
Formal descriptions for formulation.
This, Hervé
2007-11-01
Two formalisms used to describe the physical microstructure and the organization of formulated products are given. The first, called "complex disperse systems formalism" (CDS formalism) is useful for the description of the physical nature of disperse matter. The second, called "non periodical organizational space formalism" (NPOS formalism) has the same operators as the CDS formalism, but different elements; it is useful to describe the arrangement of any objects in space. Both formalisms can be viewed as the same, applied to different orders of magnitude for spatial size. PMID:17875375
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. PMID:27308221
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
Interdependence of Formal Reasoning
ERIC Educational Resources Information Center
Berzonsky, Michael D.; And Others
1975-01-01
Investigated the intercorrelations among tasks that appear to require Piagetian formal reasoning to determine whether formal reasoning is used selectively or all-pervasively. Subjects were 60 undergraduate females. (SDH)
West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus
2015-10-15
The quantitative analysis of molecular density matrices in terms of oriented quasi-atomic orbitals (QUAOs) is shown to yield detailed conceptual insight into the dissociation of dioxetane on the basis of ab initio wave functions. The QUAOs persist and can be followed throughout the reaction path. The kinetic bond orders and the orbital populations of the QUAOs quantitatively reveal the changes of the bonding interactions along the reaction path. At the transition state the OO bond is broken, and the molecule becomes a biradical. After the transition state the reaction path bifurcates. The minimum energy path gently descends from the transition state via a valley-ridge inflection point to a second saddle point, from which two new minimum energy paths lead to two equivalent formaldehyde dimers. The CC bond breaks, and the π-bonds of the formaldehyde fragments form in close vicinity of the second saddle point. The changes of the interactions in this region are elucidated by the analysis of the rearrangements of the QUAOs. PMID:26371996
ERIC Educational Resources Information Center
Hanna, Gila
1989-01-01
The origins of the emphasis on formal proof are discussed as well as more recent views. Factors in acceptance of a proof and the social process of acceptance by mathematicians are included. The impact of formal proof on the curriculum and implications for teaching are given. (DC)
Geometry and Formal Linguistics.
ERIC Educational Resources Information Center
Huff, George A.
This paper presents a method of encoding geometric line-drawings in a way which allows sets of such drawings to be interpreted as formal languages. A characterization of certain geometric predicates in terms of their properties as languages is obtained, and techniques usually associated with generative grammars and formal automata are then applied…
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.
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.
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.
Adolescence and Formal Operations
ERIC Educational Resources Information Center
Blasi, A.; Hoeffel, E. C.
1974-01-01
Analyzes the relationship between the development of formal operations and the development of the adolescent personality, as hypothesized by Inhelder and Piaget. It is suggested that the concepts of possibility and reflectivity have a variety of meanings, and that once these meanings are examined, the logical foundation for the…
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)…
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.
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(2)) atoms. PMID:26493897
Biodiversity: Habitat Suitability
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...
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.
Formalizing the concept of sound.
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.
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.
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.
Hamilton-Jacobi formalism for tachyon inflation
NASA Astrophysics Data System (ADS)
Aghamohammadi, A.; Mohammadi, A.; Golanbari, T.; Saaidi, Kh.
2014-10-01
Tachyon inflation is reconsidered by using the recent observational data obtained from Planck-2013 and BICEP2. The Hamilton-Jacobi formalism is picked out as a desirable approach in this work, which allows one to easily obtain the main parameters of the model. The Hubble parameter is supposed as a power-law and exponential function of the scalar field, and each case is considered separately. The constraints on the model, which come from observational data, are explained during the work. The results show a suitable value for the tensor spectral index and an appropriate form of the potential.
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.
Multifractal formalisms of human behavior.
Ihlen, Espen A F; Vereijken, Beatrix
2013-08-01
With the mounting realization that variability is an inevitable part of human behavior comes the need to integrate this phenomenon in concomitant models and theories of motor control. Among other things, this has resulted in a debate throughout the last decades about the origin of variability in behavior, the outcome of which has important implications for motor control theories. To date, a monofractal formalism of variability has been used as the basis for arguing for component- versus interaction-oriented theories of motor control. However, monofractal formalism alone cannot decide between the opposing sides of the debate. The present theoretical overview introduces multifractal formalisms as a necessary extension of the conventional monofractal formalism. In multifractal formalisms, the scale invariance of behavior is numerically defined as a spectrum of scaling exponents, rather than a single average exponent as in the monofractal formalism. Several methods to estimate the multifractal spectrum of scaling exponents - all within two multifractal formalisms called large deviation and Legendre formalism - are introduced and briefly discussed. Furthermore, the multifractal analyses within these two formalisms are applied to several performance tasks to illustrate how explanations of motor control vary with the methods used. The main section of the theoretical overview discusses the implications of multifractal extensions of the component- and interaction-oriented models for existing theories of motor control. PMID:24054900
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…
Resource suitability: Methods for analyses
NASA Astrophysics Data System (ADS)
Steiner, Frederick
1983-09-01
There is a growing need to develop methods for analyzing resource suitability that are both legally defensible and accurate. Three approaches to suitability analysis are reviewed: the US Soil Conservation Service capability classification and important farmlands mapping; the McHarg, or Pennsylvania, suitability analysis method; and Dutch approaches to suitability analysis. Computer applications and the carrying-capacity concept are briefly reviewed. Three applications of suitability analysis are discussed: examples from Medford Township, New Jersey; Whitman County, Washington; and Abuja, the new federal capital city of Nigeria.
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.
Habitat Suitability Information: Blacknose Dace
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.
Formalism and functionalism in linguistics.
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. PMID:26271372
Complex cobordism and formal groups
NASA Astrophysics Data System (ADS)
Buchstaber, Viktor M.
2012-10-01
This paper surveys the current state of the theory of cobordism, focusing on geometric and universal properties of complex cobordism, the Landweber-Novikov algebra, and the formal group law of geometric cobordisms. The relationships with K-theory, algebraic cycles, formal group laws, compact Lie group actions on manifolds, toric topology, infinite-dimensional Lie algebras, and nilmanifolds are described. The survey contains key results and open problems. Bibliography: 124 titles.
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.
Generalized Boltzmann formalism for oscillating neutrinos
Strack, P.; Burrows, A.
2005-05-01
In the standard approaches to neutrino transport in the simulation of core-collapse supernovas, one will often start from the classical Boltzmann equation for the neutrino's spatial, temporal, and spectral evolution. For each neutrino species, and its antiparticle, the classical density in phase space, or the associated specific intensity, will be calculated as a function of time. The neutrino radiation is coupled to matter by source and sink terms on the 'right-hand side' of the transport equation and together with the equations of hydrodynamics this set of coupled partial differential equations for classical densities describes, in principle, the evolution of core collapse and explosion. However, with the possibility of neutrino oscillations between species, a purely quantum-physical effect, how to generalize this set of Boltzmann equations for classical quantities to reflect oscillation physics has not been clear. To date, the formalisms developed have retained the character of quantum operator physics involving complex quantities and have not been suitable for easy incorporation into standard supernova codes. In this paper, we derive generalized Boltzmann equations for quasiclassical, real-valued phase-space densities that retain all the standard oscillation phenomenology, including the matter-enhanced resonant flavor conversion (Mikheev-Smirnov-Wolfenstein effect), neutrino self-interactions, and the interplay between decohering matter coupling and flavor oscillations. With this formalism, any code(s) that can now handle the solution of the classical Boltzmann or transport equation can easily be generalized to include neutrino oscillations in a quantum-physically consistent fashion.
ADM canonical formalism for gravitating spinning objects
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.
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.
Ultrafast charge transfer and atomic orbital polarization
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.
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.
Habitat Suitability Index Models: Pronghorn
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.
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.
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.
A Formalization of Student Modeling.
ERIC Educational Resources Information Center
Danna, Frederic; Sebillot, Pascale
1997-01-01
Focuses on student modeling within an Intelligent Tutoring System. Describes three domain-independent properties that the formalism representing student knowledge and the processes synthesizing this knowledge must possess to build accurate student models for second-language learning. Notes when, how, and where hypothetical reasoning mechanisms…
Chao Formalism & Kondratenko Crossing Tests
NASA Astrophysics Data System (ADS)
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.
2007-06-01
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.
Ambitwistor string theory in the operator formalism
NASA Astrophysics Data System (ADS)
Reid-Edwards, R. A.
2016-06-01
After a brief overview of the operator formalism for conventional string theory, an operator formalism for ambitwistor string theory is presented. It is shown how tree level supergravity scattering amplitudes are recovered in this formalism. More general applications of this formalism to loop amplitudes and the construction of an ambitwistor string field theory are briefly discussed.
Habitat Suitability Index Models: Marten
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.
Formal Analysis of Message Passing
NASA Astrophysics Data System (ADS)
Siegel, Stephen F.; Gopalakrishnan, Ganesh
The message passing paradigm underlies many important families of programs - for instance programs in the area of high performance computing that support science and engineering research. Unfortunately, very few formal methods researchers are involved in developing formal analysis tools and techniques for message passing programs. This paper summarizes research being done in our groups in support of this area, specifically with respect to the Message Passing Interface. We emphasize the need for specialized varieties of many familiar notions such as deadlock detection, race analysis, symmetry analysis, partial order reduction, static analysis and symbolic reasoning support. Since these issues are harbingers of those being faced in multicore programming, the time is ripe to build a critical mass of researchers working in this area.
Notoph gauge theory: Superfield formalism
NASA Astrophysics Data System (ADS)
Malik, R. P.
2011-05-01
We derive absolutely anticommuting Becchi-Rouet-Stora-Tyutin (BRST) and anti-BRST symmetry transformations for the 4D free Abelian 2-form gauge theory by exploiting the superfield approach to BRST formalism. The antisymmetric tensor gauge field of the above theory was christened as the "notoph" (i.e. the opposite of "photon") gauge field by Ogievetsky and Palubarinov way back in 1966-67. We briefly outline the problems involved in obtaining the absolute anticonimutativity of the (anti-) BRST transformations and their resolution within the framework of geometrical superfield approach to BRST formalism. One of the highlights of our results is the emergence of a Curci-Ferrari type of restriction in the context of 4D Abelian 2-form (notoph) gauge theory which renders the nilpotent (anti-) BRST symmetries of the theory to be absolutely anticommutative in nature.
Formal total synthesis of platencin.
Varseev, Georgy N; Maier, Martin E
2009-01-01
The right bicycle: A concise formal synthesis of platencin was based on an efficient oxygen-mediated palladium-catalyzed cycloalkenylation of 1 to form a bicyclo[3.2.1]octane, and a deoxygenative rearrangement of tosylhydrazone 2 to construct the bicyclo[2.2.2]octane 3. The total yield of the core structure 4 of platencin was 17.5% for 13 steps from a commercially available compound. Ts = p-toluenesulfonyl, TBS = tert-butyldimethylsilyl, Piv = pivaloyl. PMID:19353600
Formal Validation of Aerospace Software
NASA Astrophysics Data System (ADS)
Lesens, David; Moy, Yannick; Kanig, Johannes
2013-08-01
Any single error in critical software can have catastrophic consequences. Even though failures are usually not advertised, some software bugs have become famous, such as the error in the MIM-104 Patriot. For space systems, experience shows that software errors are a serious concern: more than half of all satellite failures from 2000 to 2003 involved software. To address this concern, this paper addresses the use of formal verification of software developed in Ada.
Formalizing narratives using nested circumscription
Baral, C.; Gabaldon, A.; Provetti, A.
1996-12-31
The representation of narratives of actions and observations is a current issue in Knowledge Representation, where traditional plan-oriented treatments of action seem to fall short. To address narratives, Pinto and Reiter have extended Situation Calculus axioms, Kowalski and Sergot have introduced the Event Calculus in Logic Programming, and Baral et al. have defined the specification language L which allows to express actual and hypothetical situations in a uniform setting. The L entailment relation can formalize several forms of reasoning about actions and change. In this paper we illustrate a translation of L theories into Nested Abnormality Theories, a novel form of circumscription. The proof of soundness and completeness of the translation is the main technical result of the paper, but attention is also devoted to the features of Nested Abnormality Theories to capture commonsense reasoning in general and to clarify which assumptions a logical formalization forces upon a domain. These results also help clarifying the relationship between L and other recent circumscriptive formalization for narratives, such as Miller and Shanahan`s.
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.
Habitat Suitability Index Models: Muskellunge
Cook, Mark F.; Solomon, R. Charles
1987-01-01
A review and synthesis of existing information were used to develop a Habitat Suitability Index (HSI) model for the muskellunge (Esox masquinongy Mitchell). 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.
Habitat Suitability Index Models: Bobcat
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.
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.
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.
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....
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....
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....
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....
A Formal Approach to Domain-Oriented Software Design Environments
NASA Technical Reports Server (NTRS)
Lowry, Michael; Philpot, Andrew; Pressburger, Thomas; Underwood, Ian; Lum, Henry, Jr. (Technical Monitor)
1994-01-01
This paper describes a formal approach to domain-oriented software design environments, based on declarative domain theories, formal specifications, and deductive program synthesis. A declarative domain theory defines the semantics of a domain-oriented specification language and its relationship to implementation-level subroutines. Formal specification development and reuse is made accessible to end-users through an intuitive graphical interface that guides them in creating diagrams denoting formal specifications. The diagrams also serve to document the specifications. Deductive program synthesis ensures that end-user specifications are correctly implemented. AMPHION has been applied to the domain of solar system kinematics through the development of a declarative domain theory, which includes an axiomatization of JPL's SPICELIB subroutine library. 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. Furthermore, AMPHION synthesizes one to two page programs consisting of calls to SPICELIB subroutines from these specifications in just a few minutes. Test results obtained by metering AMPHION's deductive program synthesis component are examined. AMPHION has been installed at JPL and is currently undergoing further refinement in preparation for distribution to hundreds of SPICELIB users worldwide. Current work to support end-user customization of AMPHION's specification acquisition subsystem is briefly discussed, as well as future work to enable domain-expert creation of new AMPHION applications through development of suitable domain theories.
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
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.
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…
Formal modeling of virtual machines
NASA Technical Reports Server (NTRS)
Cremers, A. B.; Hibbard, T. N.
1978-01-01
Systematic software design can be based on the development of a 'hierarchy of virtual machines', each representing a 'level of abstraction' of the design process. The reported investigation presents the concept of 'data space' as a formal model for virtual machines. The presented model of a data space combines the notions of data type and mathematical machine to express the close interaction between data and control structures which takes place in a virtual machine. One of the main objectives of the investigation is to show that control-independent data type implementation is only of limited usefulness as an isolated tool of program development, and that the representation of data is generally dictated by the control context of a virtual machine. As a second objective, a better understanding is to be developed of virtual machine state structures than was heretofore provided by the view of the state space as a Cartesian product.
Identification of process suitable diluent
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).
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...
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...
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...
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...
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...
Two-state vector formalism and quantum interference
NASA Astrophysics Data System (ADS)
Hashmi, F. A.; Li, Fu; Zhu, Shi-Yao; Zubairy, M. Suhail
2016-08-01
We show that two-state vector formalism (TSVF), applied to quantum systems that make use of delicate interference effects, can lead to paradoxes. We consider a few schemes of nested Mach–Zehnder interferometers that make use of destructive interference. A particular interpretation of TSVF applied to these schemes makes predictions that are contradictory to quantum theory and can not always be verified. Our results suggest that TSVF might not be a suitable tool to describe quantum systems that make use of delicate quantum interference effects.
Measurement-feedback formalism meets information reservoirs
NASA Astrophysics Data System (ADS)
Shiraishi, Naoto; Matsumoto, Takumi; Sagawa, Takahiro
2016-01-01
There have been two distinct formalisms of thermodynamics of information: one is the measurement-feedback formalism, which concerns bipartite systems with measurement and feedback processes, and the other is the information reservoir formalism, which considers bit sequences as a thermodynamic fuel. In this paper, we derive a second-law-like inequality by applying the measurement-feedback formalism to information reservoirs, which provides a stronger bound of extractable work than any other known inequality in the same setup. In addition, we demonstrate that the Mandal-Jarzynski model, which is a prominent model of the information reservoir formalism, is equivalent to a model obtained by the contraction of a bipartite system with autonomous measurement and feedback. Our results provide a unified view on the measurement-feedback and the information-reservoir formalisms.
Survey of Existing Tools for Formal Verification.
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.
Anyons in the operational formalism
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.
Anyons in the operational formalism
NASA Astrophysics Data System (ADS)
Neori, Klil H.; Goyal, Philip
2015-01-01
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.
Universal formalism of Fano resonance
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.
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.
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.
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.
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.
14 CFR 302.404 - Formal complaints.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Formal complaints. 302.404 Section 302.404 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) PROCEDURAL... business or the ends of justice. (e) Service. A formal complaint, and any amendments thereto, shall...
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…
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…
Does (In)Formal Learning Enhance Employability?
ERIC Educational Resources Information Center
van der Heijden, Beatrice I.J.M.; Boon, Jo; van der Klink, Marcel R.; Meys, Ely
2008-01-01
Not much is known about the actual contribution of informal learning to employability over and above formal learning activities. This paper presents findings of a research project among university staff members and is aimed to determine the contribution of formal and informal learning activities in the light of future career potential. Findings…
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…
Multifractal formalism and anisotropic selfsimilar functions
NASA Astrophysics Data System (ADS)
Ben Slimane, Mourad
1998-09-01
In this paper we prove that the conjectures of Frisch and Parisi and Arneodo et al. (called the multifractal formalism for functions) may fail for some non-homogeneous selfsimilar functions on [open face R]2. In these cases, we compute the correct spectrum of singularities and we show how the multifractal formalism must be modified.
39 CFR 3001.20 - Formal intervention.
Code of Federal Regulations, 2013 CFR
2013-07-01
... 39 Postal Service 1 2013-07-01 2013-07-01 false Formal intervention. 3001.20 Section 3001.20... Applicability § 3001.20 Formal intervention. (a) Who may intervene. A notice of intervention will be entertained... interest of such nature that intervention is allowed by the Act, or appropriate to its administration....
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... Applicability § 3001.20 Formal intervention. (a) Who may intervene. A notice of intervention will be entertained... interest of such nature that intervention is allowed by the Act, or appropriate to its administration....
39 CFR 3001.20 - Formal intervention.
Code of Federal Regulations, 2011 CFR
2011-07-01
... 39 Postal Service 1 2011-07-01 2011-07-01 false Formal intervention. 3001.20 Section 3001.20... Applicability § 3001.20 Formal intervention. (a) Who may intervene. A notice of intervention will be entertained... interest of such nature that intervention is allowed by the Act, or appropriate to its administration....
39 CFR 3001.20 - Formal intervention.
Code of Federal Regulations, 2014 CFR
2014-07-01
... 39 Postal Service 1 2014-07-01 2014-07-01 false Formal intervention. 3001.20 Section 3001.20... Applicability § 3001.20 Formal intervention. Link to an amendment published at 79 FR 33407, June 10, 2014. (a) Who may intervene. A notice of intervention will be entertained in those cases that are noticed for...
39 CFR 3001.20 - Formal intervention.
Code of Federal Regulations, 2012 CFR
2012-07-01
... 39 Postal Service 1 2012-07-01 2012-07-01 false Formal intervention. 3001.20 Section 3001.20... Applicability § 3001.20 Formal intervention. (a) Who may intervene. A notice of intervention will be entertained... interest of such nature that intervention is allowed by the Act, or appropriate to its administration....
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, DEPARTMENT OF ENERGY GENERAL RULES RULES RELATING TO INVESTIGATIONS § 1b.5 Formal investigations....
Do Formal Supports Replace Informal Supports?
ERIC Educational Resources Information Center
Barer, Barbara M.; And Others
Health policy researchers have long been interested in the extent to which the provision of formal supports replaces or undermines the informal support system. This study examined the linkages between the formal and informal support system as they are mediated by a health care setting which readily provides patients with access to social services.…
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…
37 CFR 251.41 - Formal hearings.
Code of Federal Regulations, 2010 CFR
2010-07-01
... ARBITRATION ROYALTY PANEL RULES AND PROCEDURES COPYRIGHT ARBITRATION ROYALTY PANEL RULES OF PROCEDURE Procedures of Copyright Arbitration Royalty Panels § 251.41 Formal hearings. (a) The formal hearings that... distribution hearings. All parties intending to participate in a hearing of a Copyright Arbitration...
37 CFR 251.41 - Formal hearings.
Code of Federal Regulations, 2011 CFR
2011-07-01
... ARBITRATION ROYALTY PANEL RULES AND PROCEDURES COPYRIGHT ARBITRATION ROYALTY PANEL RULES OF PROCEDURE Procedures of Copyright Arbitration Royalty Panels § 251.41 Formal hearings. (a) The formal hearings that... distribution hearings. All parties intending to participate in a hearing of a Copyright Arbitration...
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.
Methodological imperfection and formalizations in scientific activity
Svetlichny, G.
1987-03-01
Any mathematical formalization of scientific activity allows for imperfections in the methodology that is formalized. These can be of three types, dirty, rotten, and dammed. Restricting mathematical attention to those methods that cannot be construed to be imperfect drastically reduces the class of objects that must be analyzed, and related all other objects to these more regular ones. Examples are drawn from empirical logic.
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.
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)...
Habitat Suitability Index Models: Wood Duck
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.
45 CFR 12a.6 - Suitability criteria.
Code of Federal Regulations, 2011 CFR
2011-10-01
... 45 Public Welfare 1 2011-10-01 2011-10-01 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 be determined suitable unless a...
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.
Kullie, O; Zhang, H; Kolb, J; Kolb, D
2006-12-28
In previous work the authors have presented a highly accurate two-spinor fully relativistic solution of the two-center Coulomb problem utilizing the finite-element method (FEM) and furthermore developed a relativistic minimax two-spinor linear combination of atomic orbitals (LCAO). In the present paper the authors present Dirac-Fock-Slater (DFS-) density functional calculations for two-atomic molecules up to super heavy systems using the fully nonlinear minimax FEM and the minimax LCAO in its linearized approximation (linear approximation to relativistic minimax). The FEM gives highly accurate benchmark results for the DFS functional. Especially considering molecules with up to super heavy atoms such as UubO and Rg2, the authors found that LCAO fails to give the correct systematic trends. The accurate FEM results shed a new light on the quality of the DFS-density functional. PMID:17199347
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)
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.
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.
A non-commuting stabilizer formalism
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.
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.
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.
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.
Further Examination of Formal Operational Reasoning Abilities.
ERIC Educational Resources Information Center
Roberge, James J.; Flexer, Barbara K.
1979-01-01
Three paper-and-pencil formal operations tests were administered to groups of eighth graders and adults. These measures provided scores that indicated each subject's level of reasoning for three second-order operations: combinations, proportionality, and propositional logic. (JMB)
Open systems & non-formal education
NASA Astrophysics Data System (ADS)
Wheeler, Gerald F.
1988-10-01
Professor Dib created an important structure that can be used to attach the many and various activities that fall in the category of this title. While I plan to use his structure, I will be emphasizing a different component of his spectrum and promoting a different need. Professor Dib suggested a critical need to move our teaching styles away from formal modes to non-formal modes of delivery. I suggest an equally critical need in the area of informal education. And, I will propose aways to move us toward the same goal, non-formal activities. I believe we need to find ways to use the many informal education activities that occur almost automatically in our societies to move our potential learners to richer non-formal endeavors. Both needs are real; both activities are valid.
General formalism for singly thermostated Hamiltonian dynamics.
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. PMID:26651677
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.
Methodological Imperfection and Formalizations of Scientific Activity
NASA Astrophysics Data System (ADS)
Svetlichny, George
1987-03-01
Any mathematical formalization of scientific activity allows for imperfections in the methodology that is formalized. These can be of three types, “dirty,” “rotten,” and “dammed.” Restricting mathematical attention to those methods that cannot be construed to be imperfect drastically reduces the class of objects that must be analyzed, and relates all other objects to these more regular ones. Examples are drawn from empirical logic.
Habitat Suitability Index Models: Longnose Sucker
Edwards, Elizabeth A.
1983-01-01
A review and synthesis of existing information were used to develop riverine and lacustrine habitat models for Longnose sucker (Catostomus catostomus), 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 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.
Formality of the Chinese collective leadership.
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. PMID:27406253
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.
(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.
Habitat Suitability Index Models: Bigmouth Buffalo
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.
Habitat Suitability Index Models: Rainbow Trout
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.
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.
A Formal Approach for Milk-Run Transport Logistics
NASA Astrophysics Data System (ADS)
Satoh, Ichiro
A formal approach for specifying and reasoning about earth-friendly logistics management systems is presented. To reduce fossil fuel consumption and carbon dioxide emissions resulting from transport, we must enhance the transport efficiency of trucks, which play an essential role as carriers in modern logistics services. This paper addresses the milk-run approach. It is one of the most effective and popular solutions to this problem, but it makes it be complicated to implement in a logistics management system. We propose a language for specifying the routes of trucks and an order relation between the requirements of routes and the possible routes of trucks. The former is formulated as process calculus and the latter selects suitable trucks according to their routes.
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.
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.
Formal methods for Hopfield-like networks.
Ben Amor, Hedi; Corblin, Fabien; Fanchon, Eric; Elena, Adrien; Trilling, Laurent; Demongeot, Jacques; Glade, Nicolas
2013-03-01
Building a meaningful model of biological regulatory network is usually done by specifying the components (e.g. the genes) and their interactions, by guessing the values of parameters, by comparing the predicted behaviors to the observed ones, and by modifying in a trial-error process both architecture and parameters in order to reach an optimal fitness. We propose here a different approach to construct and analyze biological models avoiding the trial-error part, where structure and dynamics are represented as formal constraints. We apply the method to Hopfield-like networks, a formalism often used in both neural and regulatory networks modeling. The aim is to characterize automatically the set of all models consistent with all the available knowledge (about structure and behavior). The available knowledge is formalized into formal constraints. The latter are compiled into Boolean formula in conjunctive normal form and then submitted to a Boolean satisfiability solver. This approach allows to formulate a wide range of queries, expressed in a high level language, and possibly integrating formalized intuitions. In order to explore its potential, we use it to find cycles for 3-nodes networks and to determine the flower morphogenesis regulatory network of Arabidopsis thaliana. Applications of this technique are numerous and concern the building of models from data as well as the design of biological networks possessing specified behaviors. PMID:23381497
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.
First order formalism for quantum gravity
Gleiser, M.; Holman, R.; Neto, N.P.
1987-05-01
We develop a first order formalism for the quantization of gravity. We take as canonical variables both the induced metric and the extrinsic curvature of the (d - 1) -dimensional hypersurfaces obtained by the foliation of the d - dimensional spacetime. After solving the constraint algebra we use the Dirac formalism to quantize the theory and obtain a new representation for the Wheeler-DeWitt equation, defined in the functional space of the extrinsic curvature. We also show how to obtain several different representations of the Wheeler-DeWitt equation by considering actions differing by a total divergence. In particular, the intrinsic and extrinsic time approaches appear in a natural way, as do equivalent representations obtained by functional Fourier transforms of appropriate variables. We conclude with some remarks about the construction of the Hilbert space within the first order formalism. 10 refs.
Formalizing Darwinism and inclusive fitness theory.
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. PMID:19805422
Habitat Suitability Index Models: Laughing Gull
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.
ERIC Educational Resources Information Center
Cameron, Roslyn; Harrison, Jennifer L.
2012-01-01
Definitions, differences and relationships between formal, non-formal and informal learning have long been contentious. There has been a significant change in language and reference from adult education to what amounts to forms of learning categorised by their modes of facilitation. Nonetheless, there is currently a renewed interest in the…
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…
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…
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,…
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…
Extending the ADM formalism to Weyl geometry
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.
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.
Keldysh formalism for multiple parallel worlds
NASA Astrophysics Data System (ADS)
Ansari, M.; Nazarov, Y. V.
2016-03-01
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.
24 CFR 581.6 - Suitability criteria.
Code of Federal Regulations, 2014 CFR
2014-04-01
... DEVELOPMENT COMMUNITY FACILITIES USE OF FEDERAL REAL PROPERTY TO ASSIST THE HOMELESS § 581.6 Suitability... earth slides. (6) Inaccessible. A property that is inaccessible will be determined unsuitable....
24 CFR 581.6 - Suitability criteria.
Code of Federal Regulations, 2012 CFR
2012-04-01
... DEVELOPMENT COMMUNITY FACILITIES USE OF FEDERAL REAL PROPERTY TO ASSIST THE HOMELESS § 581.6 Suitability... earth slides. (6) Inaccessible. A property that is inaccessible will be determined unsuitable....
24 CFR 581.6 - Suitability criteria.
Code of Federal Regulations, 2013 CFR
2013-04-01
... DEVELOPMENT COMMUNITY FACILITIES USE OF FEDERAL REAL PROPERTY TO ASSIST THE HOMELESS § 581.6 Suitability... earth slides. (6) Inaccessible. A property that is inaccessible will be determined unsuitable....
24 CFR 581.6 - Suitability criteria.
Code of Federal Regulations, 2011 CFR
2011-04-01
... DEVELOPMENT COMMUNITY FACILITIES USE OF FEDERAL REAL PROPERTY TO ASSIST THE HOMELESS § 581.6 Suitability... earth slides. (6) Inaccessible. A property that is inaccessible will be determined unsuitable....
Generative Graph Grammar of Neo-Vaiśeṣika Formal Ontology (NVFO)
NASA Astrophysics Data System (ADS)
Tavva, Rajesh; Singh, Navjyoti
NLP applications for Sanskrit so far work within computational paradigm of string grammars. However, to compute 'meanings', as in traditional śā bdabodha prakriyā-s, there is a need to develop suitable graph grammars. Ontological structures are fundamentally graphs. We work within the formal framework of Neo-Vaiśeṣika Formal Ontology (NVFO) to propose a generative graph grammar. The proposed formal grammar only produces well-formed graphs that can be readily interpreted in accordance with Vaiśeṣ ika Ontology. We show that graphs not permitted by Vaiśeṣ ika ontology are not generated by the proposed grammar. Further, we write Interpreter of these graphical structures. This creates computational environment which can be deployed for writing computational applications of Vaiśeṣ ika ontology. We illustrate how this environment can be used to create applications like computing śā bdabodha of sentences.
Habitat Suitability Index Models: Green Sunfish
Stuber, Robert J.; Gebhart, Glen; Maughan, O. Eugene
1982-01-01
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 Green sunfish (Lepomis cyanellus) are synthesized. These data are subsequently used to develop Habitat Suitability (HIS) models. The HSI models are designed to provide information that can be used in impact assessment and habitat management.
Habitat Suitability Index Models: Smallmouth Buffalo
Edwards, Elizabeth A.; Twomey, Katie
1982-01-01
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 Smallmouth buffalo (Ictiobus bubalus) are synthesized. These data are subsequently used to develop Habitat Suitability (HIS) models. The HSI models are designed to provide information that can be used in impact assessment and habitat management.
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.
14 CFR 13.5 - Formal complaints.
Code of Federal Regulations, 2011 CFR
2011-01-01
... INVESTIGATIVE AND ENFORCEMENT PROCEDURES Investigative Procedures § 13.5 Formal complaints. (a) Any person may... purpose of seeking an appropriate order or other enforcement action; (2) Be submitted to the Federal... performance of official duties shall be referred to the Secretary of the Department concerned for action...
Gravitational Compton Scattering from the Worldline Formalism
NASA Astrophysics Data System (ADS)
Ahmadiniaz, Naser; Corradini, Olindo; Dávila, José Manuel; Schubert, Christian
2016-07-01
We report on an ongoing study of photon amplitudes, graviton amplitudes and mixed photon-graviton amplitudes at tree-level using the worldline formalism. We explicitly recalculate the amplitude with one photon and one graviton coupled to a scalar propagator, relevant for graviton photoproduction. We comment on the factorization properties of this amplitude, and outline a generalization to similar processes involving more gravitons.
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... established in accordance with 50 CFR 13.45 and 18.27 for FWS and 50 CFR 220.45 and 228.5 for NMFS. (4)...
Conservation-dissipation formalism of irreversible thermodynamics
NASA Astrophysics Data System (ADS)
Zhu, Yi; Hong, Liu; Yang, Zaibao; Yong, Wen-An
2015-06-01
We propose a conservation-dissipation formalism (CDF) for coarse-grained descriptions of irreversible processes. This formalism is based on a stability criterion for non-equilibrium thermodynamics. The criterion ensures that non-equilibrium states tend to equilibrium in long time. As a systematic methodology, CDF provides a feasible procedure in choosing non-equilibrium state variables and determining their evolution equations. The equations derived in CDF have a unified elegant form. They are globally hyperbolic, allow a convenient definition of weak solutions, and are amenable to existing numerics. More importantly, CDF is a genuinely nonlinear formalism and works for systems far away from equilibrium. With this formalism, we formulate novel thermodynamics theories for heat conduction in rigid bodies and non-isothermal compressible Maxwell fluid flows as two typical examples. In these examples, the non-equilibrium variables are exactly the conjugate variables of the heat fluxes or stress tensors. The new theory generalizes Cattaneo's law or Maxwell's law in a regularized and nonlinear fashion.
14 CFR 302.20 - Formal intervention.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 4 2011-01-01 2011-01-01 false Formal intervention. 302.20 Section 302.20 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) PROCEDURAL REGULATIONS RULES OF PRACTICE IN PROCEEDINGS Rules of General Applicability Oral Evidentiary Hearing Proceedings § 302.20...
14 CFR 13.5 - Formal complaints.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Formal complaints. 13.5 Section 13.5... Aviation Administration, Office of the Chief Counsel, Attention: Enforcement Docket (AGC-10), 800... of the complaint are maintained in current docket form in the Enforcement Docket (AGC-10), Office...
Quantum formalism to describe binocular rivalry.
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. PMID:19520143
Leadership and Exchange in Formal Organizations.
ERIC Educational Resources Information Center
Jacobs, T. O.
This volume reviews and reinterprets the existing literature on leadership, power, and influence processes; and provides a theoretical basis for understanding the leadership process in formal organizations. Numerous cited studies demonstrate that leadership is always relative to the situation; e.g., the effective leader makes a significant…
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…
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…
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…
Partial Derivative Automata Formalized in Coq
NASA Astrophysics Data System (ADS)
Almeida, José Bacelar; Moreira, Nelma; Pereira, David; de Sousa, Simão Melo
In this paper we present a computer assisted proof of the correctness of a partial derivative automata construction from a regular expression within the Coq proof assistant. This proof is part of a formalization of Kleene algebra and regular languages in Coq towards their usage in program certification.
External sources in field-antifield formalism
NASA Astrophysics Data System (ADS)
Batalin, Igor A.; Bering, Klaus
2014-04-01
We introduce external sources JA directly into the quantum master action W of the field-antifield formalism instead of the effective action. The external sources JA lead to a set of BRST-invariant functions WA that are in antisymplectic involution. As a byproduct, we encounter quasi-groups with open gauge algebras.
Formal Synthesis of (±)-Roseophilin
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
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.
Formal Method of Description Supporting Portfolio Assessment
ERIC Educational Resources Information Center
Morimoto, Yasuhiko; Ueno, Maomi; Kikukawa, Isao; Yokoyama, Setsuo; Miyadera, Youzou
2006-01-01
Teachers need to assess learner portfolios in the field of education. However, they need support in the process of designing and practicing what kind of portfolios are to be assessed. To solve the problem, a formal method of describing the relations between the lesson forms and portfolios that need to be collected and the relations between…
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…
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…
Preparing for Formal Proofs in Geometry
ERIC Educational Resources Information Center
Johnson, Art
2009-01-01
One way in which geometry teachers can help students develop their reasoning is by providing proof-readiness experiences. Blum and Kirsch (1991) suggest that "preformal proofs" can help students develop deductive reasoning. Preformal proofs, which follow the basic principles of deductive reasoning, can help prepare students for formal deduction in…
28 CFR 68.39 - Formal hearings.
Code of Federal Regulations, 2010 CFR
2010-07-01
... 28 Judicial Administration 2 2010-07-01 2010-07-01 false Formal hearings. 68.39 Section 68.39 Judicial Administration DEPARTMENT OF JUSTICE (CONTINUED) RULES OF PRACTICE AND PROCEDURE FOR ADMINISTRATIVE HEARINGS BEFORE ADMINISTRATIVE LAW JUDGES IN CASES INVOLVING ALLEGATIONS OF UNLAWFUL EMPLOYMENT OF ALIENS, UNFAIR IMMIGRATION-RELATED...
Hearing-Impaired Formal Inservice Program.
ERIC Educational Resources Information Center
Northeast Regional Media Center for the Deaf, Amherst, MA.
The HI-FI (Hearing-Impaired Formal Inservice) Program is described as a set of inservice materials targeted for workshops of regular classroom teachers and other school personnel concerned with school district and classroom management of hearing impaired (HI) children. An introductory section focuses on the design of the program materials,…
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)
Safety in Children's Formal Play Environments.
ERIC Educational Resources Information Center
Wilkinson, Paul F.; Lockhart, Robert
This study was designed to examine the issue of the safety of children's formal play environments. Safety was defined in terms of morbidity and mortality data. Protection and safety education were considered the prime factors in accident prevention while the goal of a safety program was considered to be the minimizing of injuries. Several data…
Helping Students Understand Formal Chemical Concepts.
ERIC Educational Resources Information Center
Ward, Charles R.; Herron, J. Dudley
1980-01-01
Investigated outcomes of the use of the learning cycle, which divides instruction into the Piagetian phases of exploration, invention, and discovery in general college chemistry laboratory experiments. Differences between concrete and formal operational students were explored in students' ability to master chemistry material varying in cognitive…
50 CFR 402.14 - Formal consultation.
Code of Federal Regulations, 2011 CFR
2011-10-01
... 50 Wildlife and Fisheries 9 2011-10-01 2011-10-01 false Formal consultation. 402.14 Section 402.14 Wildlife and Fisheries JOINT REGULATIONS (UNITED STATES FISH AND WILDLIFE SERVICE, DEPARTMENT OF THE INTERIOR AND NATIONAL MARINE FISHERIES SERVICE, NATIONAL OCEANIC AND ATMOSPHERIC ADMINISTRATION, DEPARTMENT OF COMMERCE); ENDANGERED...
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... established in accordance with 50 CFR 13.45 and 18.27 for FWS and 50 CFR 220.45 and 228.5 for NMFS. (4)...
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... established in accordance with 50 CFR 13.45 and 18.27 for FWS and 50 CFR 220.45 and 228.5 for NMFS. (4)...
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... established in accordance with 50 CFR 13.45 and 18.27 for FWS and 50 CFR 220.45 and 228.5 for NMFS. (4)...
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…
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)
14 CFR 201.1 - Formal requirements.
Code of Federal Regulations, 2013 CFR
2013-01-01
... 14 Aeronautics and Space 4 2013-01-01 2013-01-01 false Formal requirements. 201.1 Section 201.1 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) ECONOMIC REGULATIONS AIR CARRIER AUTHORITY UNDER SUBTITLE VII OF TITLE 49 OF THE UNITED STATES CODE-...
14 CFR 201.1 - Formal requirements.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Formal requirements. 201.1 Section 201.1 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) ECONOMIC REGULATIONS AIR CARRIER AUTHORITY UNDER SUBTITLE VII OF TITLE 49 OF THE UNITED STATES CODE-...
14 CFR 201.1 - Formal requirements.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 14 Aeronautics and Space 4 2014-01-01 2014-01-01 false Formal requirements. 201.1 Section 201.1 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) ECONOMIC REGULATIONS AIR CARRIER AUTHORITY UNDER SUBTITLE VII OF TITLE 49 OF THE UNITED STATES CODE-...
14 CFR 201.1 - Formal requirements.
Code of Federal Regulations, 2012 CFR
2012-01-01
... 14 Aeronautics and Space 4 2012-01-01 2012-01-01 false Formal requirements. 201.1 Section 201.1 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) ECONOMIC REGULATIONS AIR CARRIER AUTHORITY UNDER SUBTITLE VII OF TITLE 49 OF THE UNITED STATES CODE-...
14 CFR 201.1 - Formal requirements.
Code of Federal Regulations, 2011 CFR
2011-01-01
... 14 Aeronautics and Space 4 2011-01-01 2011-01-01 false Formal requirements. 201.1 Section 201.1 Aeronautics and Space OFFICE OF THE SECRETARY, DEPARTMENT OF TRANSPORTATION (AVIATION PROCEEDINGS) ECONOMIC REGULATIONS AIR CARRIER AUTHORITY UNDER SUBTITLE VII OF TITLE 49 OF THE UNITED STATES CODE-...
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.…
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…
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.
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
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.
20 CFR 702.347 - Formal hearings; termination.
Code of Federal Regulations, 2011 CFR
2011-04-01
... 20 Employees' Benefits 3 2011-04-01 2011-04-01 false Formal hearings; termination. 702.347 Section 702.347 Employees' Benefits OFFICE OF WORKERS' COMPENSATION PROGRAMS, DEPARTMENT OF LABOR LONGSHOREMEN... Adjudication Procedures Formal Hearings § 702.347 Formal hearings; termination. (a) Formal hearings...
20 CFR 702.347 - Formal hearings; termination.
Code of Federal Regulations, 2013 CFR
2013-04-01
... 20 Employees' Benefits 4 2013-04-01 2013-04-01 false Formal hearings; termination. 702.347 Section 702.347 Employees' Benefits OFFICE OF WORKERS' COMPENSATION PROGRAMS, DEPARTMENT OF LABOR LONGSHOREMEN... Adjudication Procedures Formal Hearings § 702.347 Formal hearings; termination. (a) Formal hearings...
20 CFR 702.347 - Formal hearings; termination.
Code of Federal Regulations, 2014 CFR
2014-04-01
... 20 Employees' Benefits 4 2014-04-01 2014-04-01 false Formal hearings; termination. 702.347 Section 702.347 Employees' Benefits OFFICE OF WORKERS' COMPENSATION PROGRAMS, DEPARTMENT OF LABOR LONGSHOREMEN... Adjudication Procedures Formal Hearings § 702.347 Formal hearings; termination. (a) Formal hearings...
20 CFR 702.347 - Formal hearings; termination.
Code of Federal Regulations, 2012 CFR
2012-04-01
... 20 Employees' Benefits 4 2012-04-01 2012-04-01 false Formal hearings; termination. 702.347 Section 702.347 Employees' Benefits OFFICE OF WORKERS' COMPENSATION PROGRAMS, DEPARTMENT OF LABOR LONGSHOREMEN... Adjudication Procedures Formal Hearings § 702.347 Formal hearings; termination. (a) Formal hearings...
20 CFR 702.347 - Formal hearings; termination.
Code of Federal Regulations, 2010 CFR
2010-04-01
... 20 Employees' Benefits 3 2010-04-01 2010-04-01 false Formal hearings; termination. 702.347 Section 702.347 Employees' Benefits EMPLOYMENT STANDARDS ADMINISTRATION, DEPARTMENT OF LABOR LONGSHOREMEN'S... Procedures Formal Hearings § 702.347 Formal hearings; termination. (a) Formal hearings are...
5 CFR 2638.309 - Reliance on formal advisory opinions.
Code of Federal Regulations, 2014 CFR
2014-01-01
... 5 Administrative Personnel 3 2014-01-01 2014-01-01 false Reliance on formal advisory opinions... OF GOVERNMENT ETHICS AND EXECUTIVE AGENCY ETHICS PROGRAM RESPONSIBILITIES Formal Advisory Opinion Service § 2638.309 Reliance on formal advisory opinions. (a) Any formal advisory opinion referred to...
5 CFR 2638.309 - Reliance on formal advisory opinions.
Code of Federal Regulations, 2010 CFR
2010-01-01
... 5 Administrative Personnel 3 2010-01-01 2010-01-01 false Reliance on formal advisory opinions... OF GOVERNMENT ETHICS AND EXECUTIVE AGENCY ETHICS PROGRAM RESPONSIBILITIES Formal Advisory Opinion Service § 2638.309 Reliance on formal advisory opinions. (a) Any formal advisory opinion referred to...
5 CFR 2638.309 - Reliance on formal advisory opinions.
Code of Federal Regulations, 2013 CFR
2013-01-01
... 5 Administrative Personnel 3 2013-01-01 2013-01-01 false Reliance on formal advisory opinions... OF GOVERNMENT ETHICS AND EXECUTIVE AGENCY ETHICS PROGRAM RESPONSIBILITIES Formal Advisory Opinion Service § 2638.309 Reliance on formal advisory opinions. (a) Any formal advisory opinion referred to...
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 hearing, the evidence presented warrants consideration of an issue or issues not previously...
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.
Shanker, B.; Lakhtakia, A. )
1993-01-01
Adhesives with dielectric loss are needed for microwave-assisted joining of polymeric substances. The dielectric loss in an otherwise suitable adhesive may be enhanced by doping it with fine metallic particles. Here we use a recently extended Maxwell Garnett formalism to estimate the complex dielectric constant of a metal-doped composite adhesive, with specific focus on the imaginary part of the dielectric constant of the composite adhesive. 14 refs.
Formal methods demonstration project for space applications
NASA Technical Reports Server (NTRS)
Divito, Ben L.
1995-01-01
The Space Shuttle program is cooperating in a pilot project to apply formal methods to live requirements analysis activities. As one of the larger ongoing shuttle Change Requests (CR's), the Global Positioning System (GPS) CR involves a significant upgrade to the Shuttle's navigation capability. Shuttles are to be outfitted with GPS receivers and the primary avionics software will be enhanced to accept GPS-provided positions and integrate them into navigation calculations. Prior to implementing the CR, requirements analysts at Loral Space Information Systems, the Shuttle software contractor, must scrutinize the CR to identify and resolve any requirements issues. We describe an ongoing task of the Formal Methods Demonstration Project for Space Applications whose goal is to find an effective way to use formal methods in the GPS CR requirements analysis phase. This phase is currently under way and a small team from NASA Langley, ViGYAN Inc. and Loral is now engaged in this task. Background on the GPS CR is provided and an overview of the hardware/software architecture is presented. We outline the approach being taken to formalize the requirements, only a subset of which is being attempted. The approach features the use of the PVS specification language to model 'principal functions', which are major units of Shuttle software. Conventional state machine techniques form the basis of our approach. Given this background, we present interim results based on a snapshot of work in progress. Samples of requirements specifications rendered in PVS are offered to illustration. We walk through a specification sketch for the principal function known as GPS Receiver State processing. Results to date are summarized and feedback from Loral requirements analysts is highlighted. Preliminary data is shown comparing issues detected by the formal methods team versus those detected using existing requirements analysis methods. We conclude by discussing our plan to complete the remaining
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.
Suitability of Varicose Veins for Endovenous Treatments
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.
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
ERIC Educational Resources Information Center
Kleis, Russell J.; And Others
The three essays in this discussion paper present ways of structuring the concept of non-formal education. "Toward a Contextual Definition of Non-Formal Education" isolates three primary sub-systems: organizational, human, and curricular. Within these subsets non-formal education is differentiated from formal education by a more loosely integrated…
Formal verification of medical monitoring software using Z language: a representative sample.
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. PMID:21681513
Ling, N.
1989-01-01
A novel formalism, termed Systolic Temporal Arithmetic (STA), is introduced. It provides necessary constructs to describe arithmetic operations in dynamic environments. The motivation behind the development of STA is to use it for systolic array design at the array architecture level. It is particularly useful for formally specifying systolic array designs, and for formally verifying their correctness with respect to the algorithm specifications. Besides providing value and operation abstractions from the lower level, the formalism exploits unique systolic features such as synchrony, regularity, repeatability, modularity, pipelinability, parallel processing ability, as well as spatial and temporal locality, to provide constructs and verification techniques for simple, efficient, and effective systolic array specification verification. STA overcomes many limitations of current specification and verification techniques. It can be used with lower level formalism for multilevel reasoning of systolic arrays. Application examples are given to show how STA can be applied to specify and verify several different systolic arrays. To present a more unified design environment, STA is also extended to describe systolic array synthesis process. A synthesis procedure for systolic arrays is presented which also includes an algorithm transformation technique developed that can improve the computation time of resulting arrays for suitable algorithms, without much increase in area requirement. Several systolic array synthesis examples are also provided in this dissertation.
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.
Evaluation of a habitat suitability index model
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.
Habitat Suitability Index Models: Lesser Scaup (Wintering)
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.
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.
Generalizing Prototype Theory: A Formal Quantum Framework.
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
Analyzing phonetic confusions using formal concept analysis.
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. PMID:20815472
Generalizing Prototype Theory: A Formal Quantum Framework
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
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